USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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 41 GLN :FLIP amide:sc= -1.14 F(o=-3.7,f=-1.6) USER MOD Set 1.2: A 69 MET CE :methyl -161:sc= -0.416 (180deg=-1.31) USER MOD Single : A 2 GLN : amide:sc= -1.62 K(o=-1.6,f=-7.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00978 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 15:sc= 0.765! USER MOD Single : A 17 THR OG1 : rot 60:sc= -0.892 USER MOD Single : A 22 THR OG1 : rot 70:sc= -3.11! USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= -4.5! (180deg=-6.23!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.156 (180deg=-0.322) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.0807 (180deg=-0.563) USER MOD Single : A 40 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0491 K(o=-0.049,f=-2.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.00239 (180deg=0.00147) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.21) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -60:sc= -1.53 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 3.204 -1.999 -1.846 1.00 21.10 N ATOM 19 CA GLN A 2 3.706 -3.361 -1.984 1.00 44.01 C ATOM 20 C GLN A 2 3.189 -4.005 -3.266 1.00 50.43 C ATOM 21 O GLN A 2 2.095 -3.686 -3.734 1.00 64.33 O ATOM 22 CB GLN A 2 3.296 -4.203 -0.775 1.00 24.50 C ATOM 23 CG GLN A 2 1.821 -4.571 -0.762 1.00 4.04 C ATOM 24 CD GLN A 2 1.546 -5.903 -1.432 1.00 14.45 C ATOM 25 OE1 GLN A 2 2.405 -6.455 -2.119 1.00 4.24 O ATOM 26 NE2 GLN A 2 0.341 -6.427 -1.234 1.00 45.45 N ATOM 0 HA GLN A 2 4.794 -3.317 -2.035 1.00 44.01 H new ATOM 0 HB2 GLN A 2 3.890 -5.117 -0.761 1.00 24.50 H new ATOM 0 HB3 GLN A 2 3.533 -3.654 0.137 1.00 24.50 H new ATOM 0 HG2 GLN A 2 1.469 -4.608 0.269 1.00 4.04 H new ATOM 0 HG3 GLN A 2 1.251 -3.790 -1.266 1.00 4.04 H new ATOM 0 HE21 GLN A 2 -0.341 -5.935 -0.657 1.00 45.45 H new ATOM 0 HE22 GLN A 2 0.098 -7.322 -1.659 1.00 45.45 H new ATOM 35 N ILE A 3 3.981 -4.910 -3.829 1.00 65.42 N ATOM 36 CA ILE A 3 3.602 -5.599 -5.057 1.00 5.12 C ATOM 37 C ILE A 3 3.619 -7.112 -4.866 1.00 54.31 C ATOM 38 O ILE A 3 4.093 -7.615 -3.847 1.00 40.15 O ATOM 39 CB ILE A 3 4.540 -5.230 -6.222 1.00 12.43 C ATOM 40 CG1 ILE A 3 5.939 -5.798 -5.979 1.00 24.03 C ATOM 41 CG2 ILE A 3 4.598 -3.719 -6.396 1.00 64.41 C ATOM 42 CD1 ILE A 3 6.923 -5.476 -7.082 1.00 55.42 C ATOM 0 H ILE A 3 4.890 -5.184 -3.455 1.00 65.42 H new ATOM 0 HA ILE A 3 2.589 -5.277 -5.300 1.00 5.12 H new ATOM 0 HB ILE A 3 4.146 -5.667 -7.139 1.00 12.43 H new ATOM 0 HG12 ILE A 3 6.322 -5.407 -5.036 1.00 24.03 H new ATOM 0 HG13 ILE A 3 5.869 -6.880 -5.871 1.00 24.03 H new ATOM 0 HG21 ILE A 3 5.265 -3.473 -7.223 1.00 64.41 H new ATOM 0 HG22 ILE A 3 3.599 -3.339 -6.610 1.00 64.41 H new ATOM 0 HG23 ILE A 3 4.972 -3.261 -5.480 1.00 64.41 H new ATOM 0 HD11 ILE A 3 7.893 -5.910 -6.842 1.00 55.42 H new ATOM 0 HD12 ILE A 3 6.563 -5.891 -8.024 1.00 55.42 H new ATOM 0 HD13 ILE A 3 7.023 -4.395 -7.176 1.00 55.42 H new ATOM 54 N PHE A 4 3.098 -7.833 -5.854 1.00 4.31 N ATOM 55 CA PHE A 4 3.054 -9.289 -5.796 1.00 35.12 C ATOM 56 C PHE A 4 4.177 -9.901 -6.627 1.00 71.43 C ATOM 57 O PHE A 4 4.373 -9.539 -7.788 1.00 33.03 O ATOM 58 CB PHE A 4 1.699 -9.799 -6.293 1.00 44.02 C ATOM 59 CG PHE A 4 0.604 -9.686 -5.272 1.00 1.34 C ATOM 60 CD1 PHE A 4 0.262 -8.454 -4.737 1.00 21.22 C ATOM 61 CD2 PHE A 4 -0.083 -10.811 -4.846 1.00 20.13 C ATOM 62 CE1 PHE A 4 -0.746 -8.346 -3.797 1.00 24.52 C ATOM 63 CE2 PHE A 4 -1.092 -10.709 -3.906 1.00 63.54 C ATOM 64 CZ PHE A 4 -1.423 -9.476 -3.380 1.00 44.14 C ATOM 0 H PHE A 4 2.701 -7.432 -6.704 1.00 4.31 H new ATOM 0 HA PHE A 4 3.190 -9.591 -4.757 1.00 35.12 H new ATOM 0 HB2 PHE A 4 1.414 -9.239 -7.183 1.00 44.02 H new ATOM 0 HB3 PHE A 4 1.800 -10.842 -6.592 1.00 44.02 H new ATOM 0 HD1 PHE A 4 0.789 -7.568 -5.058 1.00 21.22 H new ATOM 0 HD2 PHE A 4 0.172 -11.778 -5.253 1.00 20.13 H new ATOM 0 HE1 PHE A 4 -1.004 -7.380 -3.389 1.00 24.52 H new ATOM 0 HE2 PHE A 4 -1.621 -11.594 -3.583 1.00 63.54 H new ATOM 0 HZ PHE A 4 -2.209 -9.395 -2.644 1.00 44.14 H new ATOM 74 N ILE A 5 4.912 -10.831 -6.025 1.00 55.51 N ATOM 75 CA ILE A 5 6.015 -11.494 -6.709 1.00 54.54 C ATOM 76 C ILE A 5 5.874 -13.010 -6.637 1.00 24.21 C ATOM 77 O ILE A 5 5.545 -13.565 -5.588 1.00 64.33 O ATOM 78 CB ILE A 5 7.374 -11.086 -6.112 1.00 3.22 C ATOM 79 CG1 ILE A 5 7.564 -9.570 -6.206 1.00 35.40 C ATOM 80 CG2 ILE A 5 8.505 -11.812 -6.825 1.00 3.30 C ATOM 81 CD1 ILE A 5 7.255 -8.842 -4.917 1.00 10.32 C ATOM 0 H ILE A 5 4.763 -11.142 -5.065 1.00 55.51 H new ATOM 0 HA ILE A 5 5.976 -11.177 -7.751 1.00 54.54 H new ATOM 0 HB ILE A 5 7.392 -11.370 -5.060 1.00 3.22 H new ATOM 0 HG12 ILE A 5 8.593 -9.358 -6.496 1.00 35.40 H new ATOM 0 HG13 ILE A 5 6.923 -9.180 -6.997 1.00 35.40 H new ATOM 0 HG21 ILE A 5 9.459 -11.513 -6.392 1.00 3.30 H new ATOM 0 HG22 ILE A 5 8.376 -12.888 -6.711 1.00 3.30 H new ATOM 0 HG23 ILE A 5 8.491 -11.556 -7.884 1.00 3.30 H new ATOM 0 HD11 ILE A 5 7.411 -7.772 -5.057 1.00 10.32 H new ATOM 0 HD12 ILE A 5 6.218 -9.024 -4.636 1.00 10.32 H new ATOM 0 HD13 ILE A 5 7.913 -9.205 -4.128 1.00 10.32 H new ATOM 93 N LYS A 6 6.128 -13.677 -7.758 1.00 52.41 N ATOM 94 CA LYS A 6 6.033 -15.130 -7.823 1.00 24.11 C ATOM 95 C LYS A 6 7.327 -15.736 -8.359 1.00 33.04 C ATOM 96 O LYS A 6 8.011 -15.134 -9.187 1.00 13.20 O ATOM 97 CB LYS A 6 4.857 -15.546 -8.709 1.00 63.42 C ATOM 98 CG LYS A 6 3.586 -14.759 -8.442 1.00 60.31 C ATOM 99 CD LYS A 6 2.468 -15.169 -9.386 1.00 33.44 C ATOM 100 CE LYS A 6 2.829 -14.885 -10.835 1.00 41.44 C ATOM 101 NZ LYS A 6 1.619 -14.727 -11.688 1.00 75.21 N ATOM 0 H LYS A 6 6.402 -13.233 -8.635 1.00 52.41 H new ATOM 0 HA LYS A 6 5.868 -15.504 -6.813 1.00 24.11 H new ATOM 0 HB2 LYS A 6 5.139 -15.421 -9.755 1.00 63.42 H new ATOM 0 HB3 LYS A 6 4.656 -16.607 -8.557 1.00 63.42 H new ATOM 0 HG2 LYS A 6 3.269 -14.917 -7.411 1.00 60.31 H new ATOM 0 HG3 LYS A 6 3.786 -13.693 -8.555 1.00 60.31 H new ATOM 0 HD2 LYS A 6 2.259 -16.232 -9.264 1.00 33.44 H new ATOM 0 HD3 LYS A 6 1.556 -14.633 -9.126 1.00 33.44 H new ATOM 0 HE2 LYS A 6 3.431 -13.978 -10.888 1.00 41.44 H new ATOM 0 HE3 LYS A 6 3.443 -15.698 -11.222 1.00 41.44 H new ATOM 0 HZ1 LYS A 6 1.908 -14.535 -12.668 1.00 75.21 H new ATOM 0 HZ2 LYS A 6 1.057 -15.601 -11.658 1.00 75.21 H new ATOM 0 HZ3 LYS A 6 1.046 -13.935 -11.334 1.00 75.21 H new ATOM 115 N THR A 7 7.657 -16.932 -7.882 1.00 34.43 N ATOM 116 CA THR A 7 8.867 -17.620 -8.313 1.00 3.32 C ATOM 117 C THR A 7 8.538 -18.781 -9.244 1.00 22.12 C ATOM 118 O THR A 7 7.383 -18.976 -9.625 1.00 64.53 O ATOM 119 CB THR A 7 9.670 -18.152 -7.110 1.00 54.14 C ATOM 120 OG1 THR A 7 8.994 -19.273 -6.528 1.00 45.53 O ATOM 121 CG2 THR A 7 9.857 -17.066 -6.062 1.00 4.11 C ATOM 0 H THR A 7 7.102 -17.444 -7.196 1.00 34.43 H new ATOM 0 HA THR A 7 9.472 -16.889 -8.849 1.00 3.32 H new ATOM 0 HB THR A 7 10.652 -18.464 -7.465 1.00 54.14 H new ATOM 0 HG1 THR A 7 9.511 -19.607 -5.765 1.00 45.53 H new ATOM 0 HG21 THR A 7 10.426 -17.465 -5.222 1.00 4.11 H new ATOM 0 HG22 THR A 7 10.397 -16.226 -6.500 1.00 4.11 H new ATOM 0 HG23 THR A 7 8.882 -16.727 -5.711 1.00 4.11 H new ATOM 129 N LEU A 8 9.559 -19.550 -9.606 1.00 30.20 N ATOM 130 CA LEU A 8 9.378 -20.694 -10.493 1.00 31.44 C ATOM 131 C LEU A 8 8.671 -21.837 -9.770 1.00 44.10 C ATOM 132 O LEU A 8 8.021 -22.675 -10.396 1.00 13.51 O ATOM 133 CB LEU A 8 10.730 -21.171 -11.025 1.00 24.42 C ATOM 134 CG LEU A 8 10.719 -21.805 -12.417 1.00 13.55 C ATOM 135 CD1 LEU A 8 12.095 -21.711 -13.057 1.00 31.41 C ATOM 136 CD2 LEU A 8 10.261 -23.254 -12.339 1.00 43.13 C ATOM 0 H LEU A 8 10.520 -19.402 -9.299 1.00 30.20 H new ATOM 0 HA LEU A 8 8.756 -20.378 -11.331 1.00 31.44 H new ATOM 0 HB2 LEU A 8 11.412 -20.321 -11.040 1.00 24.42 H new ATOM 0 HB3 LEU A 8 11.140 -21.895 -10.321 1.00 24.42 H new ATOM 0 HG LEU A 8 10.014 -21.256 -13.041 1.00 13.55 H new ATOM 0 HD11 LEU A 8 12.068 -22.167 -14.047 1.00 31.41 H new ATOM 0 HD12 LEU A 8 12.383 -20.664 -13.148 1.00 31.41 H new ATOM 0 HD13 LEU A 8 12.822 -22.235 -12.436 1.00 31.41 H new ATOM 0 HD21 LEU A 8 10.259 -23.689 -13.338 1.00 43.13 H new ATOM 0 HD22 LEU A 8 10.941 -23.817 -11.699 1.00 43.13 H new ATOM 0 HD23 LEU A 8 9.254 -23.295 -11.923 1.00 43.13 H new ATOM 148 N THR A 9 8.802 -21.864 -8.447 1.00 73.32 N ATOM 149 CA THR A 9 8.175 -22.903 -7.639 1.00 4.42 C ATOM 150 C THR A 9 6.726 -22.553 -7.321 1.00 41.30 C ATOM 151 O THR A 9 5.978 -23.378 -6.800 1.00 31.52 O ATOM 152 CB THR A 9 8.939 -23.125 -6.320 1.00 1.34 C ATOM 153 OG1 THR A 9 10.346 -23.196 -6.574 1.00 44.22 O ATOM 154 CG2 THR A 9 8.477 -24.402 -5.635 1.00 62.55 C ATOM 0 H THR A 9 9.336 -21.179 -7.913 1.00 73.32 H new ATOM 0 HA THR A 9 8.203 -23.821 -8.226 1.00 4.42 H new ATOM 0 HB THR A 9 8.732 -22.282 -5.660 1.00 1.34 H new ATOM 0 HG1 THR A 9 10.824 -23.335 -5.730 1.00 44.22 H new ATOM 0 HG21 THR A 9 9.031 -24.537 -4.706 1.00 62.55 H new ATOM 0 HG22 THR A 9 7.412 -24.332 -5.416 1.00 62.55 H new ATOM 0 HG23 THR A 9 8.657 -25.253 -6.292 1.00 62.55 H new ATOM 162 N GLY A 10 6.336 -21.322 -7.639 1.00 74.24 N ATOM 163 CA GLY A 10 4.976 -20.885 -7.381 1.00 21.23 C ATOM 164 C GLY A 10 4.819 -20.263 -6.008 1.00 14.53 C ATOM 165 O GLY A 10 3.710 -20.182 -5.477 1.00 45.13 O ATOM 0 H GLY A 10 6.937 -20.620 -8.070 1.00 74.24 H new ATOM 0 HA2 GLY A 10 4.680 -20.162 -8.141 1.00 21.23 H new ATOM 0 HA3 GLY A 10 4.301 -21.736 -7.471 1.00 21.23 H new ATOM 169 N LYS A 11 5.930 -19.822 -5.429 1.00 4.14 N ATOM 170 CA LYS A 11 5.913 -19.203 -4.108 1.00 74.53 C ATOM 171 C LYS A 11 5.386 -17.774 -4.184 1.00 52.02 C ATOM 172 O LYS A 11 5.696 -17.035 -5.119 1.00 64.13 O ATOM 173 CB LYS A 11 7.317 -19.209 -3.501 1.00 22.12 C ATOM 174 CG LYS A 11 7.323 -19.224 -1.982 1.00 71.10 C ATOM 175 CD LYS A 11 8.612 -19.814 -1.435 1.00 71.21 C ATOM 176 CE LYS A 11 8.397 -20.458 -0.074 1.00 34.00 C ATOM 177 NZ LYS A 11 9.669 -20.575 0.692 1.00 75.45 N ATOM 0 H LYS A 11 6.855 -19.882 -5.854 1.00 4.14 H new ATOM 0 HA LYS A 11 5.246 -19.784 -3.471 1.00 74.53 H new ATOM 0 HB2 LYS A 11 7.858 -20.082 -3.867 1.00 22.12 H new ATOM 0 HB3 LYS A 11 7.858 -18.329 -3.849 1.00 22.12 H new ATOM 0 HG2 LYS A 11 7.199 -18.208 -1.607 1.00 71.10 H new ATOM 0 HG3 LYS A 11 6.474 -19.804 -1.620 1.00 71.10 H new ATOM 0 HD2 LYS A 11 8.998 -20.557 -2.133 1.00 71.21 H new ATOM 0 HD3 LYS A 11 9.366 -19.031 -1.353 1.00 71.21 H new ATOM 0 HE2 LYS A 11 7.682 -19.867 0.498 1.00 34.00 H new ATOM 0 HE3 LYS A 11 7.960 -21.448 -0.206 1.00 34.00 H new ATOM 0 HZ1 LYS A 11 9.480 -21.019 1.613 1.00 75.45 H new ATOM 0 HZ2 LYS A 11 10.343 -21.160 0.158 1.00 75.45 H new ATOM 0 HZ3 LYS A 11 10.073 -19.628 0.840 1.00 75.45 H new ATOM 191 N THR A 12 4.588 -17.389 -3.193 1.00 53.42 N ATOM 192 CA THR A 12 4.018 -16.048 -3.148 1.00 4.23 C ATOM 193 C THR A 12 4.860 -15.122 -2.277 1.00 22.33 C ATOM 194 O THR A 12 4.998 -15.343 -1.073 1.00 51.20 O ATOM 195 CB THR A 12 2.575 -16.068 -2.610 1.00 22.23 C ATOM 196 OG1 THR A 12 1.752 -16.887 -3.448 1.00 13.14 O ATOM 197 CG2 THR A 12 2.002 -14.661 -2.546 1.00 15.31 C ATOM 0 H THR A 12 4.322 -17.987 -2.411 1.00 53.42 H new ATOM 0 HA THR A 12 4.011 -15.673 -4.172 1.00 4.23 H new ATOM 0 HB THR A 12 2.592 -16.482 -1.602 1.00 22.23 H new ATOM 0 HG1 THR A 12 0.836 -16.896 -3.099 1.00 13.14 H new ATOM 0 HG21 THR A 12 0.982 -14.701 -2.163 1.00 15.31 H new ATOM 0 HG22 THR A 12 2.615 -14.048 -1.884 1.00 15.31 H new ATOM 0 HG23 THR A 12 1.998 -14.224 -3.545 1.00 15.31 H new ATOM 205 N ILE A 13 5.421 -14.086 -2.892 1.00 34.43 N ATOM 206 CA ILE A 13 6.248 -13.127 -2.171 1.00 15.42 C ATOM 207 C ILE A 13 5.708 -11.709 -2.329 1.00 5.14 C ATOM 208 O ILE A 13 5.814 -11.107 -3.398 1.00 21.30 O ATOM 209 CB ILE A 13 7.708 -13.165 -2.657 1.00 24.32 C ATOM 210 CG1 ILE A 13 8.217 -14.608 -2.699 1.00 11.23 C ATOM 211 CG2 ILE A 13 8.589 -12.313 -1.755 1.00 63.41 C ATOM 212 CD1 ILE A 13 9.622 -14.738 -3.242 1.00 44.55 C ATOM 0 H ILE A 13 5.318 -13.890 -3.888 1.00 34.43 H new ATOM 0 HA ILE A 13 6.217 -13.411 -1.119 1.00 15.42 H new ATOM 0 HB ILE A 13 7.750 -12.755 -3.666 1.00 24.32 H new ATOM 0 HG12 ILE A 13 8.185 -15.025 -1.692 1.00 11.23 H new ATOM 0 HG13 ILE A 13 7.542 -15.205 -3.313 1.00 11.23 H new ATOM 0 HG21 ILE A 13 9.618 -12.350 -2.112 1.00 63.41 H new ATOM 0 HG22 ILE A 13 8.236 -11.282 -1.771 1.00 63.41 H new ATOM 0 HG23 ILE A 13 8.544 -12.696 -0.736 1.00 63.41 H new ATOM 0 HD11 ILE A 13 9.916 -15.788 -3.242 1.00 44.55 H new ATOM 0 HD12 ILE A 13 9.656 -14.351 -4.261 1.00 44.55 H new ATOM 0 HD13 ILE A 13 10.308 -14.169 -2.615 1.00 44.55 H new ATOM 224 N THR A 14 5.131 -11.178 -1.255 1.00 70.20 N ATOM 225 CA THR A 14 4.576 -9.831 -1.273 1.00 53.12 C ATOM 226 C THR A 14 4.948 -9.066 -0.009 1.00 2.45 C ATOM 227 O THR A 14 4.667 -9.511 1.103 1.00 33.25 O ATOM 228 CB THR A 14 3.042 -9.857 -1.411 1.00 33.24 C ATOM 229 OG1 THR A 14 2.447 -10.280 -0.179 1.00 33.23 O ATOM 230 CG2 THR A 14 2.615 -10.791 -2.533 1.00 31.31 C ATOM 0 H THR A 14 5.036 -11.661 -0.362 1.00 70.20 H new ATOM 0 HA THR A 14 5.003 -9.325 -2.139 1.00 53.12 H new ATOM 0 HB THR A 14 2.704 -8.849 -1.651 1.00 33.24 H new ATOM 0 HG1 THR A 14 3.114 -10.237 0.538 1.00 33.23 H new ATOM 0 HG21 THR A 14 1.528 -10.793 -2.611 1.00 31.31 H new ATOM 0 HG22 THR A 14 3.046 -10.450 -3.474 1.00 31.31 H new ATOM 0 HG23 THR A 14 2.965 -11.801 -2.319 1.00 31.31 H new ATOM 238 N ALA A 15 5.582 -7.911 -0.186 1.00 63.22 N ATOM 239 CA ALA A 15 5.991 -7.083 0.941 1.00 12.33 C ATOM 240 C ALA A 15 6.398 -5.688 0.479 1.00 64.05 C ATOM 241 O ALA A 15 7.060 -5.534 -0.547 1.00 51.15 O ATOM 242 CB ALA A 15 7.133 -7.745 1.697 1.00 64.24 C ATOM 0 H ALA A 15 5.823 -7.528 -1.100 1.00 63.22 H new ATOM 0 HA ALA A 15 5.138 -6.980 1.612 1.00 12.33 H new ATOM 0 HB1 ALA A 15 7.428 -7.115 2.536 1.00 64.24 H new ATOM 0 HB2 ALA A 15 6.808 -8.716 2.070 1.00 64.24 H new ATOM 0 HB3 ALA A 15 7.983 -7.879 1.028 1.00 64.24 H new ATOM 248 N GLU A 16 5.998 -4.676 1.242 1.00 43.34 N ATOM 249 CA GLU A 16 6.322 -3.294 0.907 1.00 14.33 C ATOM 250 C GLU A 16 7.778 -2.980 1.238 1.00 31.24 C ATOM 251 O GLU A 16 8.324 -3.477 2.224 1.00 61.41 O ATOM 252 CB GLU A 16 5.398 -2.334 1.660 1.00 10.14 C ATOM 253 CG GLU A 16 5.218 -0.994 0.968 1.00 51.51 C ATOM 254 CD GLU A 16 4.856 0.118 1.934 1.00 45.22 C ATOM 255 OE1 GLU A 16 4.318 -0.190 3.018 1.00 62.33 O ATOM 256 OE2 GLU A 16 5.111 1.296 1.606 1.00 24.21 O ATOM 0 H GLU A 16 5.450 -4.787 2.095 1.00 43.34 H new ATOM 0 HA GLU A 16 6.175 -3.163 -0.165 1.00 14.33 H new ATOM 0 HB2 GLU A 16 4.422 -2.804 1.783 1.00 10.14 H new ATOM 0 HB3 GLU A 16 5.799 -2.166 2.660 1.00 10.14 H new ATOM 0 HG2 GLU A 16 6.139 -0.732 0.447 1.00 51.51 H new ATOM 0 HG3 GLU A 16 4.438 -1.082 0.212 1.00 51.51 H new ATOM 263 N THR A 17 8.403 -2.152 0.407 1.00 13.21 N ATOM 264 CA THR A 17 9.795 -1.773 0.609 1.00 3.22 C ATOM 265 C THR A 17 10.032 -0.320 0.215 1.00 44.53 C ATOM 266 O THR A 17 9.244 0.268 -0.525 1.00 42.23 O ATOM 267 CB THR A 17 10.746 -2.674 -0.201 1.00 21.33 C ATOM 268 OG1 THR A 17 12.090 -2.193 -0.090 1.00 62.02 O ATOM 269 CG2 THR A 17 10.336 -2.716 -1.665 1.00 31.20 C ATOM 0 H THR A 17 7.966 -1.731 -0.413 1.00 13.21 H new ATOM 0 HA THR A 17 10.005 -1.898 1.671 1.00 3.22 H new ATOM 0 HB THR A 17 10.688 -3.684 0.205 1.00 21.33 H new ATOM 0 HG1 THR A 17 12.363 -2.199 0.851 1.00 62.02 H new ATOM 0 HG21 THR A 17 11.022 -3.358 -2.217 1.00 31.20 H new ATOM 0 HG22 THR A 17 9.323 -3.111 -1.748 1.00 31.20 H new ATOM 0 HG23 THR A 17 10.368 -1.709 -2.081 1.00 31.20 H new ATOM 277 N GLU A 18 11.123 0.254 0.713 1.00 23.11 N ATOM 278 CA GLU A 18 11.463 1.640 0.412 1.00 72.55 C ATOM 279 C GLU A 18 12.153 1.748 -0.945 1.00 72.33 C ATOM 280 O GLU A 18 12.675 0.772 -1.484 1.00 73.52 O ATOM 281 CB GLU A 18 12.367 2.216 1.503 1.00 21.52 C ATOM 282 CG GLU A 18 11.604 2.862 2.647 1.00 2.21 C ATOM 283 CD GLU A 18 12.448 3.018 3.897 1.00 24.10 C ATOM 284 OE1 GLU A 18 12.409 4.107 4.507 1.00 43.33 O ATOM 285 OE2 GLU A 18 13.148 2.051 4.265 1.00 11.44 O ATOM 0 H GLU A 18 11.786 -0.219 1.327 1.00 23.11 H new ATOM 0 HA GLU A 18 10.537 2.215 0.377 1.00 72.55 H new ATOM 0 HB2 GLU A 18 12.995 1.419 1.901 1.00 21.52 H new ATOM 0 HB3 GLU A 18 13.033 2.955 1.058 1.00 21.52 H new ATOM 0 HG2 GLU A 18 11.244 3.841 2.332 1.00 2.21 H new ATOM 0 HG3 GLU A 18 10.726 2.259 2.879 1.00 2.21 H new ATOM 292 N PRO A 19 12.156 2.963 -1.512 1.00 15.51 N ATOM 293 CA PRO A 19 12.777 3.229 -2.813 1.00 3.35 C ATOM 294 C PRO A 19 14.299 3.145 -2.756 1.00 32.42 C ATOM 295 O PRO A 19 14.944 2.740 -3.723 1.00 13.42 O ATOM 296 CB PRO A 19 12.333 4.659 -3.133 1.00 31.43 C ATOM 297 CG PRO A 19 12.067 5.279 -1.805 1.00 12.03 C ATOM 298 CD PRO A 19 11.552 4.172 -0.926 1.00 43.42 C ATOM 0 HA PRO A 19 12.479 2.497 -3.564 1.00 3.35 H new ATOM 0 HB2 PRO A 19 13.107 5.202 -3.675 1.00 31.43 H new ATOM 0 HB3 PRO A 19 11.441 4.666 -3.759 1.00 31.43 H new ATOM 0 HG2 PRO A 19 12.975 5.716 -1.390 1.00 12.03 H new ATOM 0 HG3 PRO A 19 11.336 6.083 -1.889 1.00 12.03 H new ATOM 0 HD2 PRO A 19 11.854 4.310 0.112 1.00 43.42 H new ATOM 0 HD3 PRO A 19 10.463 4.123 -0.937 1.00 43.42 H new ATOM 306 N ALA A 20 14.866 3.528 -1.617 1.00 1.02 N ATOM 307 CA ALA A 20 16.312 3.493 -1.434 1.00 33.23 C ATOM 308 C ALA A 20 16.833 2.060 -1.458 1.00 4.14 C ATOM 309 O ALA A 20 17.990 1.817 -1.799 1.00 43.41 O ATOM 310 CB ALA A 20 16.695 4.174 -0.129 1.00 2.45 C ATOM 0 H ALA A 20 14.346 3.866 -0.807 1.00 1.02 H new ATOM 0 HA ALA A 20 16.772 4.033 -2.261 1.00 33.23 H new ATOM 0 HB1 ALA A 20 17.777 4.141 -0.005 1.00 2.45 H new ATOM 0 HB2 ALA A 20 16.364 5.212 -0.150 1.00 2.45 H new ATOM 0 HB3 ALA A 20 16.218 3.658 0.704 1.00 2.45 H new ATOM 316 N GLU A 21 15.972 1.115 -1.092 1.00 43.42 N ATOM 317 CA GLU A 21 16.349 -0.293 -1.071 1.00 34.22 C ATOM 318 C GLU A 21 15.170 -1.177 -1.470 1.00 65.21 C ATOM 319 O GLU A 21 14.682 -1.979 -0.673 1.00 63.21 O ATOM 320 CB GLU A 21 16.849 -0.689 0.320 1.00 62.32 C ATOM 321 CG GLU A 21 18.331 -0.427 0.531 1.00 71.33 C ATOM 322 CD GLU A 21 18.602 0.935 1.140 1.00 34.41 C ATOM 323 OE1 GLU A 21 17.650 1.737 1.243 1.00 4.34 O ATOM 324 OE2 GLU A 21 19.764 1.198 1.513 1.00 33.12 O ATOM 0 H GLU A 21 15.010 1.299 -0.807 1.00 43.42 H new ATOM 0 HA GLU A 21 17.152 -0.439 -1.793 1.00 34.22 H new ATOM 0 HB2 GLU A 21 16.281 -0.140 1.071 1.00 62.32 H new ATOM 0 HB3 GLU A 21 16.649 -1.748 0.481 1.00 62.32 H new ATOM 0 HG2 GLU A 21 18.744 -1.200 1.180 1.00 71.33 H new ATOM 0 HG3 GLU A 21 18.849 -0.503 -0.425 1.00 71.33 H new ATOM 331 N THR A 22 14.717 -1.024 -2.710 1.00 61.35 N ATOM 332 CA THR A 22 13.596 -1.806 -3.216 1.00 52.12 C ATOM 333 C THR A 22 14.018 -3.238 -3.523 1.00 31.22 C ATOM 334 O THR A 22 13.392 -4.193 -3.061 1.00 43.15 O ATOM 335 CB THR A 22 13.000 -1.175 -4.489 1.00 15.14 C ATOM 336 OG1 THR A 22 13.945 -0.276 -5.079 1.00 61.31 O ATOM 337 CG2 THR A 22 11.713 -0.428 -4.170 1.00 71.25 C ATOM 0 H THR A 22 15.109 -0.365 -3.383 1.00 61.35 H new ATOM 0 HA THR A 22 12.838 -1.814 -2.433 1.00 52.12 H new ATOM 0 HB THR A 22 12.773 -1.976 -5.193 1.00 15.14 H new ATOM 0 HG1 THR A 22 14.691 -0.787 -5.456 1.00 61.31 H new ATOM 0 HG21 THR A 22 11.310 0.009 -5.084 1.00 71.25 H new ATOM 0 HG22 THR A 22 10.985 -1.121 -3.748 1.00 71.25 H new ATOM 0 HG23 THR A 22 11.921 0.363 -3.450 1.00 71.25 H new ATOM 345 N VAL A 23 15.084 -3.382 -4.304 1.00 12.20 N ATOM 346 CA VAL A 23 15.591 -4.699 -4.671 1.00 0.42 C ATOM 347 C VAL A 23 16.339 -5.343 -3.509 1.00 40.30 C ATOM 348 O VAL A 23 16.086 -6.495 -3.157 1.00 45.52 O ATOM 349 CB VAL A 23 16.529 -4.619 -5.890 1.00 30.20 C ATOM 350 CG1 VAL A 23 17.107 -5.989 -6.209 1.00 62.32 C ATOM 351 CG2 VAL A 23 15.792 -4.049 -7.092 1.00 71.14 C ATOM 0 H VAL A 23 15.613 -2.603 -4.695 1.00 12.20 H new ATOM 0 HA VAL A 23 14.726 -5.312 -4.927 1.00 0.42 H new ATOM 0 HB VAL A 23 17.355 -3.950 -5.648 1.00 30.20 H new ATOM 0 HG11 VAL A 23 17.767 -5.913 -7.073 1.00 62.32 H new ATOM 0 HG12 VAL A 23 17.672 -6.354 -5.351 1.00 62.32 H new ATOM 0 HG13 VAL A 23 16.296 -6.683 -6.432 1.00 62.32 H new ATOM 0 HG21 VAL A 23 16.470 -3.999 -7.944 1.00 71.14 H new ATOM 0 HG22 VAL A 23 14.946 -4.691 -7.338 1.00 71.14 H new ATOM 0 HG23 VAL A 23 15.431 -3.048 -6.856 1.00 71.14 H new ATOM 361 N ALA A 24 17.261 -4.591 -2.916 1.00 52.24 N ATOM 362 CA ALA A 24 18.044 -5.087 -1.792 1.00 63.20 C ATOM 363 C ALA A 24 17.140 -5.611 -0.681 1.00 40.43 C ATOM 364 O ALA A 24 17.515 -6.517 0.062 1.00 23.41 O ATOM 365 CB ALA A 24 18.957 -3.992 -1.260 1.00 71.12 C ATOM 0 H ALA A 24 17.483 -3.636 -3.196 1.00 52.24 H new ATOM 0 HA ALA A 24 18.657 -5.916 -2.146 1.00 63.20 H new ATOM 0 HB1 ALA A 24 19.536 -4.377 -0.420 1.00 71.12 H new ATOM 0 HB2 ALA A 24 19.635 -3.668 -2.050 1.00 71.12 H new ATOM 0 HB3 ALA A 24 18.355 -3.146 -0.928 1.00 71.12 H new ATOM 371 N ASP A 25 15.948 -5.034 -0.574 1.00 4.41 N ATOM 372 CA ASP A 25 14.990 -5.442 0.446 1.00 20.45 C ATOM 373 C ASP A 25 14.497 -6.863 0.190 1.00 15.04 C ATOM 374 O ASP A 25 14.434 -7.684 1.106 1.00 32.41 O ATOM 375 CB ASP A 25 13.805 -4.476 0.480 1.00 2.12 C ATOM 376 CG ASP A 25 12.617 -5.043 1.231 1.00 14.03 C ATOM 377 OD1 ASP A 25 11.838 -5.805 0.621 1.00 34.33 O ATOM 378 OD2 ASP A 25 12.466 -4.725 2.429 1.00 31.23 O ATOM 0 H ASP A 25 15.622 -4.282 -1.182 1.00 4.41 H new ATOM 0 HA ASP A 25 15.494 -5.419 1.412 1.00 20.45 H new ATOM 0 HB2 ASP A 25 14.115 -3.542 0.948 1.00 2.12 H new ATOM 0 HB3 ASP A 25 13.506 -4.237 -0.540 1.00 2.12 H new ATOM 383 N LEU A 26 14.146 -7.146 -1.059 1.00 42.34 N ATOM 384 CA LEU A 26 13.657 -8.467 -1.437 1.00 32.24 C ATOM 385 C LEU A 26 14.804 -9.468 -1.524 1.00 63.30 C ATOM 386 O LEU A 26 14.641 -10.646 -1.204 1.00 2.12 O ATOM 387 CB LEU A 26 12.922 -8.397 -2.777 1.00 25.54 C ATOM 388 CG LEU A 26 11.749 -9.362 -2.950 1.00 32.21 C ATOM 389 CD1 LEU A 26 12.231 -10.804 -2.898 1.00 54.31 C ATOM 390 CD2 LEU A 26 10.692 -9.113 -1.884 1.00 54.41 C ATOM 0 H LEU A 26 14.191 -6.478 -1.828 1.00 42.34 H new ATOM 0 HA LEU A 26 12.963 -8.804 -0.667 1.00 32.24 H new ATOM 0 HB2 LEU A 26 12.553 -7.380 -2.914 1.00 25.54 H new ATOM 0 HB3 LEU A 26 13.642 -8.585 -3.574 1.00 25.54 H new ATOM 0 HG LEU A 26 11.300 -9.186 -3.927 1.00 32.21 H new ATOM 0 HD11 LEU A 26 11.382 -11.476 -3.023 1.00 54.31 H new ATOM 0 HD12 LEU A 26 12.951 -10.976 -3.698 1.00 54.31 H new ATOM 0 HD13 LEU A 26 12.706 -10.994 -1.936 1.00 54.31 H new ATOM 0 HD21 LEU A 26 9.865 -9.809 -2.023 1.00 54.41 H new ATOM 0 HD22 LEU A 26 11.129 -9.261 -0.897 1.00 54.41 H new ATOM 0 HD23 LEU A 26 10.324 -8.090 -1.968 1.00 54.41 H new ATOM 402 N LYS A 27 15.966 -8.992 -1.958 1.00 3.02 N ATOM 403 CA LYS A 27 17.143 -9.843 -2.084 1.00 64.24 C ATOM 404 C LYS A 27 17.630 -10.306 -0.715 1.00 1.11 C ATOM 405 O LYS A 27 17.953 -11.478 -0.525 1.00 70.12 O ATOM 406 CB LYS A 27 18.264 -9.094 -2.809 1.00 70.55 C ATOM 407 CG LYS A 27 17.854 -8.554 -4.169 1.00 23.52 C ATOM 408 CD LYS A 27 18.255 -9.500 -5.288 1.00 72.44 C ATOM 409 CE LYS A 27 17.518 -10.827 -5.187 1.00 70.23 C ATOM 410 NZ LYS A 27 16.042 -10.639 -5.136 1.00 34.34 N ATOM 0 H LYS A 27 16.118 -8.020 -2.229 1.00 3.02 H new ATOM 0 HA LYS A 27 16.864 -10.721 -2.667 1.00 64.24 H new ATOM 0 HB2 LYS A 27 18.599 -8.266 -2.185 1.00 70.55 H new ATOM 0 HB3 LYS A 27 19.115 -9.763 -2.935 1.00 70.55 H new ATOM 0 HG2 LYS A 27 16.775 -8.400 -4.190 1.00 23.52 H new ATOM 0 HG3 LYS A 27 18.318 -7.581 -4.330 1.00 23.52 H new ATOM 0 HD2 LYS A 27 18.042 -9.037 -6.251 1.00 72.44 H new ATOM 0 HD3 LYS A 27 19.330 -9.676 -5.250 1.00 72.44 H new ATOM 0 HE2 LYS A 27 17.775 -11.451 -6.043 1.00 70.23 H new ATOM 0 HE3 LYS A 27 17.847 -11.358 -4.294 1.00 70.23 H new ATOM 0 HZ1 LYS A 27 15.672 -11.036 -4.249 1.00 34.34 H new ATOM 0 HZ2 LYS A 27 15.820 -9.624 -5.181 1.00 34.34 H new ATOM 0 HZ3 LYS A 27 15.602 -11.126 -5.943 1.00 34.34 H new ATOM 424 N GLN A 28 17.678 -9.378 0.236 1.00 63.05 N ATOM 425 CA GLN A 28 18.125 -9.692 1.587 1.00 31.55 C ATOM 426 C GLN A 28 17.146 -10.636 2.278 1.00 22.33 C ATOM 427 O GLN A 28 17.529 -11.415 3.152 1.00 2.41 O ATOM 428 CB GLN A 28 18.280 -8.410 2.407 1.00 22.31 C ATOM 429 CG GLN A 28 18.945 -8.628 3.757 1.00 15.10 C ATOM 430 CD GLN A 28 19.023 -7.357 4.580 1.00 22.43 C ATOM 431 OE1 GLN A 28 18.560 -6.299 4.155 1.00 44.42 O ATOM 432 NE2 GLN A 28 19.611 -7.456 5.767 1.00 61.01 N ATOM 0 H GLN A 28 17.413 -8.403 0.095 1.00 63.05 H new ATOM 0 HA GLN A 28 19.093 -10.189 1.516 1.00 31.55 H new ATOM 0 HB2 GLN A 28 18.866 -7.691 1.835 1.00 22.31 H new ATOM 0 HB3 GLN A 28 17.296 -7.967 2.563 1.00 22.31 H new ATOM 0 HG2 GLN A 28 18.390 -9.383 4.313 1.00 15.10 H new ATOM 0 HG3 GLN A 28 19.951 -9.020 3.604 1.00 15.10 H new ATOM 0 HE21 GLN A 28 19.981 -8.354 6.080 1.00 61.01 H new ATOM 0 HE22 GLN A 28 19.692 -6.634 6.366 1.00 61.01 H new ATOM 441 N LYS A 29 15.880 -10.562 1.881 1.00 23.24 N ATOM 442 CA LYS A 29 14.845 -11.410 2.461 1.00 64.10 C ATOM 443 C LYS A 29 15.166 -12.885 2.243 1.00 33.54 C ATOM 444 O LYS A 29 15.192 -13.671 3.192 1.00 52.34 O ATOM 445 CB LYS A 29 13.483 -11.078 1.849 1.00 52.51 C ATOM 446 CG LYS A 29 12.381 -12.040 2.257 1.00 22.14 C ATOM 447 CD LYS A 29 12.122 -11.989 3.754 1.00 45.22 C ATOM 448 CE LYS A 29 10.694 -12.392 4.087 1.00 40.34 C ATOM 449 NZ LYS A 29 10.544 -13.870 4.187 1.00 54.23 N ATOM 0 H LYS A 29 15.546 -9.923 1.160 1.00 23.24 H new ATOM 0 HA LYS A 29 14.811 -11.218 3.533 1.00 64.10 H new ATOM 0 HB2 LYS A 29 13.199 -10.068 2.143 1.00 52.51 H new ATOM 0 HB3 LYS A 29 13.572 -11.081 0.763 1.00 52.51 H new ATOM 0 HG2 LYS A 29 11.465 -11.794 1.720 1.00 22.14 H new ATOM 0 HG3 LYS A 29 12.657 -13.054 1.969 1.00 22.14 H new ATOM 0 HD2 LYS A 29 12.818 -12.653 4.267 1.00 45.22 H new ATOM 0 HD3 LYS A 29 12.312 -10.981 4.123 1.00 45.22 H new ATOM 0 HE2 LYS A 29 10.397 -11.932 5.030 1.00 40.34 H new ATOM 0 HE3 LYS A 29 10.020 -12.010 3.320 1.00 40.34 H new ATOM 0 HZ1 LYS A 29 9.629 -14.097 4.625 1.00 54.23 H new ATOM 0 HZ2 LYS A 29 10.586 -14.288 3.236 1.00 54.23 H new ATOM 0 HZ3 LYS A 29 11.313 -14.258 4.770 1.00 54.23 H new ATOM 463 N ILE A 30 15.410 -13.255 0.991 1.00 40.34 N ATOM 464 CA ILE A 30 15.731 -14.635 0.650 1.00 23.14 C ATOM 465 C ILE A 30 17.165 -14.978 1.039 1.00 4.33 C ATOM 466 O ILE A 30 17.449 -16.088 1.489 1.00 41.51 O ATOM 467 CB ILE A 30 15.541 -14.903 -0.854 1.00 44.13 C ATOM 468 CG1 ILE A 30 14.068 -14.754 -1.239 1.00 40.21 C ATOM 469 CG2 ILE A 30 16.050 -16.291 -1.214 1.00 5.24 C ATOM 470 CD1 ILE A 30 13.678 -13.338 -1.601 1.00 4.30 C ATOM 0 H ILE A 30 15.392 -12.618 0.195 1.00 40.34 H new ATOM 0 HA ILE A 30 15.043 -15.267 1.212 1.00 23.14 H new ATOM 0 HB ILE A 30 16.120 -14.169 -1.414 1.00 44.13 H new ATOM 0 HG12 ILE A 30 13.854 -15.408 -2.084 1.00 40.21 H new ATOM 0 HG13 ILE A 30 13.448 -15.092 -0.409 1.00 40.21 H new ATOM 0 HG21 ILE A 30 15.909 -16.465 -2.281 1.00 5.24 H new ATOM 0 HG22 ILE A 30 17.110 -16.364 -0.972 1.00 5.24 H new ATOM 0 HG23 ILE A 30 15.496 -17.040 -0.648 1.00 5.24 H new ATOM 0 HD11 ILE A 30 12.620 -13.308 -1.863 1.00 4.30 H new ATOM 0 HD12 ILE A 30 13.860 -12.682 -0.750 1.00 4.30 H new ATOM 0 HD13 ILE A 30 14.272 -13.003 -2.451 1.00 4.30 H new ATOM 482 N ALA A 31 18.066 -14.016 0.865 1.00 51.04 N ATOM 483 CA ALA A 31 19.470 -14.214 1.201 1.00 62.22 C ATOM 484 C ALA A 31 19.628 -14.692 2.640 1.00 31.22 C ATOM 485 O ALA A 31 20.315 -15.679 2.905 1.00 43.30 O ATOM 486 CB ALA A 31 20.252 -12.928 0.981 1.00 1.53 C ATOM 0 H ALA A 31 17.848 -13.092 0.493 1.00 51.04 H new ATOM 0 HA ALA A 31 19.870 -14.986 0.544 1.00 62.22 H new ATOM 0 HB1 ALA A 31 21.299 -13.091 1.236 1.00 1.53 H new ATOM 0 HB2 ALA A 31 20.175 -12.630 -0.065 1.00 1.53 H new ATOM 0 HB3 ALA A 31 19.843 -12.140 1.614 1.00 1.53 H new ATOM 492 N ASP A 32 18.988 -13.987 3.566 1.00 1.23 N ATOM 493 CA ASP A 32 19.057 -14.340 4.980 1.00 42.44 C ATOM 494 C ASP A 32 18.164 -15.538 5.285 1.00 61.12 C ATOM 495 O ASP A 32 18.371 -16.245 6.272 1.00 54.14 O ATOM 496 CB ASP A 32 18.646 -13.148 5.845 1.00 11.34 C ATOM 497 CG ASP A 32 19.008 -13.340 7.305 1.00 62.00 C ATOM 498 OD1 ASP A 32 19.714 -14.322 7.617 1.00 35.51 O ATOM 499 OD2 ASP A 32 18.587 -12.508 8.135 1.00 41.31 O ATOM 0 H ASP A 32 18.415 -13.168 3.363 1.00 1.23 H new ATOM 0 HA ASP A 32 20.087 -14.610 5.212 1.00 42.44 H new ATOM 0 HB2 ASP A 32 19.130 -12.246 5.469 1.00 11.34 H new ATOM 0 HB3 ASP A 32 17.571 -12.993 5.758 1.00 11.34 H new ATOM 504 N LYS A 33 17.170 -15.761 4.432 1.00 12.10 N ATOM 505 CA LYS A 33 16.244 -16.873 4.609 1.00 23.50 C ATOM 506 C LYS A 33 16.931 -18.204 4.319 1.00 23.24 C ATOM 507 O LYS A 33 16.796 -19.161 5.081 1.00 4.24 O ATOM 508 CB LYS A 33 15.030 -16.704 3.693 1.00 61.30 C ATOM 509 CG LYS A 33 14.043 -17.856 3.773 1.00 15.52 C ATOM 510 CD LYS A 33 12.857 -17.639 2.848 1.00 41.14 C ATOM 511 CE LYS A 33 11.880 -16.624 3.421 1.00 31.44 C ATOM 512 NZ LYS A 33 11.284 -17.092 4.704 1.00 41.04 N ATOM 0 H LYS A 33 16.985 -15.186 3.610 1.00 12.10 H new ATOM 0 HA LYS A 33 15.911 -16.874 5.647 1.00 23.50 H new ATOM 0 HB2 LYS A 33 14.516 -15.778 3.951 1.00 61.30 H new ATOM 0 HB3 LYS A 33 15.373 -16.602 2.664 1.00 61.30 H new ATOM 0 HG2 LYS A 33 14.546 -18.786 3.509 1.00 15.52 H new ATOM 0 HG3 LYS A 33 13.691 -17.964 4.799 1.00 15.52 H new ATOM 0 HD2 LYS A 33 13.211 -17.296 1.876 1.00 41.14 H new ATOM 0 HD3 LYS A 33 12.344 -18.587 2.684 1.00 41.14 H new ATOM 0 HE2 LYS A 33 12.394 -15.677 3.583 1.00 31.44 H new ATOM 0 HE3 LYS A 33 11.086 -16.436 2.699 1.00 31.44 H new ATOM 0 HZ1 LYS A 33 10.379 -16.605 4.865 1.00 41.04 H new ATOM 0 HZ2 LYS A 33 11.121 -18.118 4.657 1.00 41.04 H new ATOM 0 HZ3 LYS A 33 11.935 -16.880 5.487 1.00 41.04 H new ATOM 526 N GLU A 34 17.669 -18.256 3.215 1.00 71.24 N ATOM 527 CA GLU A 34 18.377 -19.470 2.826 1.00 22.23 C ATOM 528 C GLU A 34 19.880 -19.317 3.045 1.00 53.13 C ATOM 529 O GLU A 34 20.674 -20.123 2.561 1.00 13.41 O ATOM 530 CB GLU A 34 18.095 -19.805 1.360 1.00 4.11 C ATOM 531 CG GLU A 34 16.785 -20.544 1.145 1.00 1.34 C ATOM 532 CD GLU A 34 16.766 -21.904 1.815 1.00 30.10 C ATOM 533 OE1 GLU A 34 15.792 -22.193 2.542 1.00 62.23 O ATOM 534 OE2 GLU A 34 17.724 -22.679 1.613 1.00 31.00 O ATOM 0 H GLU A 34 17.792 -17.472 2.574 1.00 71.24 H new ATOM 0 HA GLU A 34 18.017 -20.286 3.453 1.00 22.23 H new ATOM 0 HB2 GLU A 34 18.080 -18.881 0.781 1.00 4.11 H new ATOM 0 HB3 GLU A 34 18.913 -20.412 0.971 1.00 4.11 H new ATOM 0 HG2 GLU A 34 15.964 -19.941 1.532 1.00 1.34 H new ATOM 0 HG3 GLU A 34 16.613 -20.667 0.076 1.00 1.34 H new ATOM 541 N GLY A 35 20.262 -18.275 3.777 1.00 22.10 N ATOM 542 CA GLY A 35 21.668 -18.034 4.046 1.00 13.34 C ATOM 543 C GLY A 35 22.508 -18.035 2.785 1.00 24.21 C ATOM 544 O GLY A 35 23.668 -18.449 2.803 1.00 13.15 O ATOM 0 H GLY A 35 19.624 -17.594 4.188 1.00 22.10 H new ATOM 0 HA2 GLY A 35 21.779 -17.075 4.552 1.00 13.34 H new ATOM 0 HA3 GLY A 35 22.041 -18.799 4.728 1.00 13.34 H new ATOM 548 N VAL A 36 21.923 -17.573 1.685 1.00 51.30 N ATOM 549 CA VAL A 36 22.626 -17.523 0.408 1.00 15.34 C ATOM 550 C VAL A 36 22.864 -16.083 -0.032 1.00 14.41 C ATOM 551 O VAL A 36 22.152 -15.160 0.365 1.00 33.05 O ATOM 552 CB VAL A 36 21.842 -18.262 -0.693 1.00 2.33 C ATOM 553 CG1 VAL A 36 21.994 -19.767 -0.537 1.00 70.25 C ATOM 554 CG2 VAL A 36 20.375 -17.860 -0.664 1.00 3.34 C ATOM 0 H VAL A 36 20.964 -17.228 1.652 1.00 51.30 H new ATOM 0 HA VAL A 36 23.586 -18.018 0.555 1.00 15.34 H new ATOM 0 HB VAL A 36 22.253 -17.977 -1.661 1.00 2.33 H new ATOM 0 HG11 VAL A 36 21.434 -20.273 -1.323 1.00 70.25 H new ATOM 0 HG12 VAL A 36 23.048 -20.036 -0.612 1.00 70.25 H new ATOM 0 HG13 VAL A 36 21.610 -20.073 0.436 1.00 70.25 H new ATOM 0 HG21 VAL A 36 19.836 -18.392 -1.448 1.00 3.34 H new ATOM 0 HG22 VAL A 36 19.947 -18.114 0.306 1.00 3.34 H new ATOM 0 HG23 VAL A 36 20.289 -16.786 -0.829 1.00 3.34 H new ATOM 564 N PRO A 37 23.889 -15.883 -0.873 1.00 71.04 N ATOM 565 CA PRO A 37 24.244 -14.557 -1.387 1.00 64.14 C ATOM 566 C PRO A 37 23.208 -14.018 -2.367 1.00 53.01 C ATOM 567 O PRO A 37 22.634 -14.770 -3.155 1.00 54.42 O ATOM 568 CB PRO A 37 25.578 -14.798 -2.099 1.00 71.41 C ATOM 569 CG PRO A 37 25.552 -16.240 -2.474 1.00 55.15 C ATOM 570 CD PRO A 37 24.780 -16.937 -1.388 1.00 54.43 C ATOM 0 HA PRO A 37 24.297 -13.813 -0.592 1.00 64.14 H new ATOM 0 HB2 PRO A 37 25.678 -14.162 -2.979 1.00 71.41 H new ATOM 0 HB3 PRO A 37 26.421 -14.574 -1.446 1.00 71.41 H new ATOM 0 HG2 PRO A 37 25.076 -16.382 -3.444 1.00 55.15 H new ATOM 0 HG3 PRO A 37 26.563 -16.641 -2.553 1.00 55.15 H new ATOM 0 HD2 PRO A 37 24.216 -17.785 -1.777 1.00 54.43 H new ATOM 0 HD3 PRO A 37 25.439 -17.322 -0.610 1.00 54.43 H new ATOM 578 N VAL A 38 22.972 -12.711 -2.313 1.00 4.22 N ATOM 579 CA VAL A 38 22.006 -12.071 -3.197 1.00 14.32 C ATOM 580 C VAL A 38 22.472 -12.118 -4.648 1.00 32.15 C ATOM 581 O VAL A 38 21.670 -11.989 -5.573 1.00 12.14 O ATOM 582 CB VAL A 38 21.763 -10.604 -2.795 1.00 13.23 C ATOM 583 CG1 VAL A 38 21.175 -10.524 -1.394 1.00 61.20 C ATOM 584 CG2 VAL A 38 23.055 -9.806 -2.886 1.00 13.00 C ATOM 0 H VAL A 38 23.437 -12.075 -1.666 1.00 4.22 H new ATOM 0 HA VAL A 38 21.073 -12.626 -3.100 1.00 14.32 H new ATOM 0 HB VAL A 38 21.044 -10.169 -3.490 1.00 13.23 H new ATOM 0 HG11 VAL A 38 21.010 -9.480 -1.128 1.00 61.20 H new ATOM 0 HG12 VAL A 38 20.226 -11.060 -1.367 1.00 61.20 H new ATOM 0 HG13 VAL A 38 21.867 -10.975 -0.683 1.00 61.20 H new ATOM 0 HG21 VAL A 38 22.865 -8.772 -2.599 1.00 13.00 H new ATOM 0 HG22 VAL A 38 23.798 -10.238 -2.216 1.00 13.00 H new ATOM 0 HG23 VAL A 38 23.429 -9.835 -3.909 1.00 13.00 H new ATOM 594 N ASP A 39 23.773 -12.305 -4.839 1.00 1.40 N ATOM 595 CA ASP A 39 24.347 -12.371 -6.178 1.00 1.11 C ATOM 596 C ASP A 39 23.744 -13.526 -6.971 1.00 62.10 C ATOM 597 O ASP A 39 23.734 -13.507 -8.201 1.00 63.45 O ATOM 598 CB ASP A 39 25.866 -12.529 -6.097 1.00 62.14 C ATOM 599 CG ASP A 39 26.525 -12.494 -7.462 1.00 61.43 C ATOM 600 OD1 ASP A 39 26.973 -13.561 -7.932 1.00 65.25 O ATOM 601 OD2 ASP A 39 26.592 -11.401 -8.061 1.00 14.41 O ATOM 0 H ASP A 39 24.450 -12.414 -4.084 1.00 1.40 H new ATOM 0 HA ASP A 39 24.114 -11.439 -6.694 1.00 1.11 H new ATOM 0 HB2 ASP A 39 26.279 -11.733 -5.477 1.00 62.14 H new ATOM 0 HB3 ASP A 39 26.105 -13.472 -5.606 1.00 62.14 H new ATOM 606 N GLN A 40 23.244 -14.530 -6.257 1.00 50.35 N ATOM 607 CA GLN A 40 22.641 -15.694 -6.896 1.00 2.14 C ATOM 608 C GLN A 40 21.170 -15.442 -7.209 1.00 60.20 C ATOM 609 O GLN A 40 20.567 -16.155 -8.011 1.00 14.51 O ATOM 610 CB GLN A 40 22.780 -16.924 -5.997 1.00 2.35 C ATOM 611 CG GLN A 40 24.222 -17.333 -5.744 1.00 63.13 C ATOM 612 CD GLN A 40 24.751 -18.287 -6.798 1.00 11.35 C ATOM 613 OE1 GLN A 40 24.011 -19.114 -7.330 1.00 74.02 O ATOM 614 NE2 GLN A 40 26.038 -18.176 -7.104 1.00 62.10 N ATOM 0 H GLN A 40 23.245 -14.561 -5.237 1.00 50.35 H new ATOM 0 HA GLN A 40 23.167 -15.876 -7.833 1.00 2.14 H new ATOM 0 HB2 GLN A 40 22.295 -16.722 -5.042 1.00 2.35 H new ATOM 0 HB3 GLN A 40 22.249 -17.759 -6.454 1.00 2.35 H new ATOM 0 HG2 GLN A 40 24.849 -16.442 -5.718 1.00 63.13 H new ATOM 0 HG3 GLN A 40 24.296 -17.803 -4.764 1.00 63.13 H new ATOM 0 HE21 GLN A 40 26.615 -17.476 -6.638 1.00 62.10 H new ATOM 0 HE22 GLN A 40 26.450 -18.791 -7.806 1.00 62.10 H new ATOM 623 N GLN A 41 20.600 -14.425 -6.571 1.00 73.20 N ATOM 624 CA GLN A 41 19.199 -14.081 -6.782 1.00 34.13 C ATOM 625 C GLN A 41 19.069 -12.833 -7.648 1.00 41.40 C ATOM 626 O GLN A 41 19.683 -11.803 -7.366 1.00 71.32 O ATOM 627 CB GLN A 41 18.498 -13.860 -5.440 1.00 5.02 C ATOM 628 CG GLN A 41 18.618 -15.040 -4.489 1.00 71.45 C ATOM 629 CD GLN A 41 17.745 -16.210 -4.899 1.00 62.34 C ATOM 630 OE1 GLN A 41 16.450 -15.959 -5.049 1.00 13.14 O flip ATOM 631 NE2 GLN A 41 18.230 -17.328 -5.080 1.00 31.10 N flip ATOM 0 H GLN A 41 21.086 -13.825 -5.904 1.00 73.20 H new ATOM 0 HA GLN A 41 18.722 -14.912 -7.301 1.00 34.13 H new ATOM 0 HB2 GLN A 41 18.917 -12.975 -4.962 1.00 5.02 H new ATOM 0 HB3 GLN A 41 17.443 -13.655 -5.620 1.00 5.02 H new ATOM 0 HG2 GLN A 41 19.658 -15.364 -4.448 1.00 71.45 H new ATOM 0 HG3 GLN A 41 18.343 -14.721 -3.484 1.00 71.45 H new ATOM 0 HE21 GLN A 41 19.231 -17.476 -4.953 1.00 31.10 H new ATOM 0 HE22 GLN A 41 17.630 -18.105 -5.356 1.00 31.10 H new ATOM 640 N ARG A 42 18.267 -12.931 -8.703 1.00 70.11 N ATOM 641 CA ARG A 42 18.058 -11.810 -9.612 1.00 24.14 C ATOM 642 C ARG A 42 16.575 -11.627 -9.918 1.00 32.31 C ATOM 643 O ARG A 42 15.819 -12.598 -9.984 1.00 2.13 O ATOM 644 CB ARG A 42 18.835 -12.028 -10.911 1.00 44.13 C ATOM 645 CG ARG A 42 19.008 -10.764 -11.737 1.00 54.51 C ATOM 646 CD ARG A 42 19.554 -11.073 -13.122 1.00 53.12 C ATOM 647 NE ARG A 42 20.889 -11.661 -13.065 1.00 62.21 N ATOM 648 CZ ARG A 42 21.998 -10.951 -12.888 1.00 70.34 C ATOM 649 NH1 ARG A 42 21.931 -9.634 -12.752 1.00 21.22 N ATOM 650 NH2 ARG A 42 23.177 -11.559 -12.847 1.00 72.04 N ATOM 0 H ARG A 42 17.751 -13.776 -8.950 1.00 70.11 H new ATOM 0 HA ARG A 42 18.424 -10.906 -9.125 1.00 24.14 H new ATOM 0 HB2 ARG A 42 19.818 -12.433 -10.673 1.00 44.13 H new ATOM 0 HB3 ARG A 42 18.319 -12.777 -11.512 1.00 44.13 H new ATOM 0 HG2 ARG A 42 18.049 -10.254 -11.828 1.00 54.51 H new ATOM 0 HG3 ARG A 42 19.684 -10.082 -11.222 1.00 54.51 H new ATOM 0 HD2 ARG A 42 18.878 -11.758 -13.634 1.00 53.12 H new ATOM 0 HD3 ARG A 42 19.586 -10.157 -13.712 1.00 53.12 H new ATOM 0 HE ARG A 42 20.975 -12.672 -13.167 1.00 62.21 H new ATOM 0 HH11 ARG A 42 21.027 -9.163 -12.783 1.00 21.22 H new ATOM 0 HH12 ARG A 42 22.784 -9.091 -12.616 1.00 21.22 H new ATOM 0 HH21 ARG A 42 23.232 -12.572 -12.951 1.00 72.04 H new ATOM 0 HH22 ARG A 42 24.028 -11.013 -12.711 1.00 72.04 H new ATOM 664 N LEU A 43 16.164 -10.378 -10.104 1.00 1.32 N ATOM 665 CA LEU A 43 14.771 -10.067 -10.403 1.00 15.11 C ATOM 666 C LEU A 43 14.574 -9.830 -11.897 1.00 11.33 C ATOM 667 O LEU A 43 15.413 -9.212 -12.553 1.00 23.03 O ATOM 668 CB LEU A 43 14.322 -8.834 -9.616 1.00 22.22 C ATOM 669 CG LEU A 43 14.451 -8.926 -8.095 1.00 0.51 C ATOM 670 CD1 LEU A 43 13.999 -10.291 -7.602 1.00 32.31 C ATOM 671 CD2 LEU A 43 15.884 -8.648 -7.663 1.00 73.25 C ATOM 0 H LEU A 43 16.776 -9.564 -10.053 1.00 1.32 H new ATOM 0 HA LEU A 43 14.163 -10.921 -10.106 1.00 15.11 H new ATOM 0 HB2 LEU A 43 14.902 -7.977 -9.959 1.00 22.22 H new ATOM 0 HB3 LEU A 43 13.279 -8.631 -9.861 1.00 22.22 H new ATOM 0 HG LEU A 43 13.805 -8.170 -7.649 1.00 0.51 H new ATOM 0 HD11 LEU A 43 14.098 -10.337 -6.518 1.00 32.31 H new ATOM 0 HD12 LEU A 43 12.957 -10.451 -7.878 1.00 32.31 H new ATOM 0 HD13 LEU A 43 14.618 -11.065 -8.056 1.00 32.31 H new ATOM 0 HD21 LEU A 43 15.957 -8.718 -6.578 1.00 73.25 H new ATOM 0 HD22 LEU A 43 16.550 -9.380 -8.119 1.00 73.25 H new ATOM 0 HD23 LEU A 43 16.173 -7.647 -7.982 1.00 73.25 H new ATOM 683 N ILE A 44 13.460 -10.322 -12.427 1.00 72.42 N ATOM 684 CA ILE A 44 13.152 -10.161 -13.843 1.00 12.13 C ATOM 685 C ILE A 44 11.699 -9.745 -14.045 1.00 52.22 C ATOM 686 O ILE A 44 10.792 -10.288 -13.414 1.00 24.24 O ATOM 687 CB ILE A 44 13.417 -11.459 -14.628 1.00 55.01 C ATOM 688 CG1 ILE A 44 14.874 -11.893 -14.461 1.00 61.54 C ATOM 689 CG2 ILE A 44 13.081 -11.266 -16.099 1.00 54.33 C ATOM 690 CD1 ILE A 44 15.216 -13.162 -15.211 1.00 32.45 C ATOM 0 H ILE A 44 12.755 -10.835 -11.898 1.00 72.42 H new ATOM 0 HA ILE A 44 13.808 -9.377 -14.222 1.00 12.13 H new ATOM 0 HB ILE A 44 12.776 -12.245 -14.229 1.00 55.01 H new ATOM 0 HG12 ILE A 44 15.526 -11.090 -14.806 1.00 61.54 H new ATOM 0 HG13 ILE A 44 15.082 -12.040 -13.401 1.00 61.54 H new ATOM 0 HG21 ILE A 44 13.274 -12.192 -16.641 1.00 54.33 H new ATOM 0 HG22 ILE A 44 12.029 -10.999 -16.200 1.00 54.33 H new ATOM 0 HG23 ILE A 44 13.699 -10.469 -16.512 1.00 54.33 H new ATOM 0 HD11 ILE A 44 16.265 -13.410 -15.047 1.00 32.45 H new ATOM 0 HD12 ILE A 44 14.590 -13.978 -14.850 1.00 32.45 H new ATOM 0 HD13 ILE A 44 15.040 -13.013 -16.276 1.00 32.45 H new ATOM 702 N PHE A 45 11.484 -8.778 -14.932 1.00 30.34 N ATOM 703 CA PHE A 45 10.141 -8.289 -15.219 1.00 35.22 C ATOM 704 C PHE A 45 9.938 -8.106 -16.720 1.00 11.30 C ATOM 705 O PHE A 45 10.472 -7.173 -17.320 1.00 31.32 O ATOM 706 CB PHE A 45 9.891 -6.965 -14.493 1.00 71.35 C ATOM 707 CG PHE A 45 8.440 -6.584 -14.425 1.00 12.40 C ATOM 708 CD1 PHE A 45 7.743 -6.248 -15.574 1.00 42.45 C ATOM 709 CD2 PHE A 45 7.773 -6.560 -13.211 1.00 34.22 C ATOM 710 CE1 PHE A 45 6.408 -5.896 -15.515 1.00 74.30 C ATOM 711 CE2 PHE A 45 6.437 -6.210 -13.145 1.00 63.22 C ATOM 712 CZ PHE A 45 5.754 -5.877 -14.298 1.00 42.45 C ATOM 0 H PHE A 45 12.223 -8.318 -15.464 1.00 30.34 H new ATOM 0 HA PHE A 45 9.427 -9.031 -14.862 1.00 35.22 H new ATOM 0 HB2 PHE A 45 10.288 -7.034 -13.480 1.00 71.35 H new ATOM 0 HB3 PHE A 45 10.443 -6.173 -14.998 1.00 71.35 H new ATOM 0 HD1 PHE A 45 8.249 -6.261 -16.528 1.00 42.45 H new ATOM 0 HD2 PHE A 45 8.303 -6.818 -12.306 1.00 34.22 H new ATOM 0 HE1 PHE A 45 5.877 -5.636 -16.419 1.00 74.30 H new ATOM 0 HE2 PHE A 45 5.928 -6.197 -12.193 1.00 63.22 H new ATOM 0 HZ PHE A 45 4.711 -5.602 -14.249 1.00 42.45 H new ATOM 722 N ALA A 46 9.163 -9.003 -17.320 1.00 71.04 N ATOM 723 CA ALA A 46 8.888 -8.940 -18.750 1.00 60.24 C ATOM 724 C ALA A 46 10.181 -8.852 -19.555 1.00 13.04 C ATOM 725 O ALA A 46 10.216 -8.250 -20.627 1.00 3.12 O ATOM 726 CB ALA A 46 7.988 -7.754 -19.063 1.00 74.22 C ATOM 0 H ALA A 46 8.714 -9.782 -16.838 1.00 71.04 H new ATOM 0 HA ALA A 46 8.374 -9.858 -19.036 1.00 60.24 H new ATOM 0 HB1 ALA A 46 7.791 -7.719 -20.135 1.00 74.22 H new ATOM 0 HB2 ALA A 46 7.046 -7.860 -18.524 1.00 74.22 H new ATOM 0 HB3 ALA A 46 8.481 -6.832 -18.755 1.00 74.22 H new ATOM 732 N GLY A 47 11.242 -9.456 -19.029 1.00 21.05 N ATOM 733 CA GLY A 47 12.523 -9.433 -19.711 1.00 13.22 C ATOM 734 C GLY A 47 13.395 -8.276 -19.267 1.00 3.43 C ATOM 735 O GLY A 47 14.352 -7.911 -19.951 1.00 11.03 O ATOM 0 H GLY A 47 11.237 -9.961 -18.143 1.00 21.05 H new ATOM 0 HA2 GLY A 47 13.047 -10.371 -19.526 1.00 13.22 H new ATOM 0 HA3 GLY A 47 12.358 -9.368 -20.786 1.00 13.22 H new ATOM 739 N LYS A 48 13.065 -7.694 -18.118 1.00 61.44 N ATOM 740 CA LYS A 48 13.825 -6.571 -17.583 1.00 14.12 C ATOM 741 C LYS A 48 14.466 -6.935 -16.247 1.00 53.14 C ATOM 742 O LYS A 48 13.778 -7.330 -15.306 1.00 51.15 O ATOM 743 CB LYS A 48 12.917 -5.351 -17.409 1.00 74.31 C ATOM 744 CG LYS A 48 13.663 -4.089 -17.011 1.00 74.43 C ATOM 745 CD LYS A 48 14.200 -3.353 -18.227 1.00 14.52 C ATOM 746 CE LYS A 48 15.598 -3.826 -18.593 1.00 73.41 C ATOM 747 NZ LYS A 48 16.390 -2.755 -19.258 1.00 1.02 N ATOM 0 H LYS A 48 12.276 -7.982 -17.540 1.00 61.44 H new ATOM 0 HA LYS A 48 14.617 -6.329 -18.292 1.00 14.12 H new ATOM 0 HB2 LYS A 48 12.384 -5.169 -18.342 1.00 74.31 H new ATOM 0 HB3 LYS A 48 12.166 -5.573 -16.651 1.00 74.31 H new ATOM 0 HG2 LYS A 48 12.997 -3.432 -16.452 1.00 74.43 H new ATOM 0 HG3 LYS A 48 14.488 -4.347 -16.347 1.00 74.43 H new ATOM 0 HD2 LYS A 48 13.530 -3.508 -19.072 1.00 14.52 H new ATOM 0 HD3 LYS A 48 14.218 -2.282 -18.026 1.00 14.52 H new ATOM 0 HE2 LYS A 48 16.117 -4.156 -17.693 1.00 73.41 H new ATOM 0 HE3 LYS A 48 15.528 -4.689 -19.255 1.00 73.41 H new ATOM 0 HZ1 LYS A 48 17.336 -3.117 -19.491 1.00 1.02 H new ATOM 0 HZ2 LYS A 48 15.908 -2.458 -20.130 1.00 1.02 H new ATOM 0 HZ3 LYS A 48 16.479 -1.941 -18.617 1.00 1.02 H new ATOM 761 N GLN A 49 15.786 -6.798 -16.173 1.00 14.52 N ATOM 762 CA GLN A 49 16.518 -7.112 -14.952 1.00 11.43 C ATOM 763 C GLN A 49 16.520 -5.922 -13.997 1.00 44.02 C ATOM 764 O GLN A 49 16.940 -4.822 -14.360 1.00 74.13 O ATOM 765 CB GLN A 49 17.955 -7.517 -15.284 1.00 30.23 C ATOM 766 CG GLN A 49 18.056 -8.526 -16.416 1.00 41.14 C ATOM 767 CD GLN A 49 19.490 -8.879 -16.758 1.00 5.45 C ATOM 768 OE1 GLN A 49 20.097 -9.742 -16.123 1.00 62.33 O ATOM 769 NE2 GLN A 49 20.041 -8.211 -17.764 1.00 43.43 N ATOM 0 H GLN A 49 16.370 -6.472 -16.943 1.00 14.52 H new ATOM 0 HA GLN A 49 16.017 -7.947 -14.462 1.00 11.43 H new ATOM 0 HB2 GLN A 49 18.522 -6.626 -15.551 1.00 30.23 H new ATOM 0 HB3 GLN A 49 18.421 -7.936 -14.392 1.00 30.23 H new ATOM 0 HG2 GLN A 49 17.519 -9.433 -16.138 1.00 41.14 H new ATOM 0 HG3 GLN A 49 17.564 -8.123 -17.301 1.00 41.14 H new ATOM 0 HE21 GLN A 49 19.501 -7.504 -18.263 1.00 43.43 H new ATOM 0 HE22 GLN A 49 21.004 -8.405 -18.038 1.00 43.43 H new ATOM 778 N LEU A 50 16.050 -6.149 -12.776 1.00 12.11 N ATOM 779 CA LEU A 50 15.997 -5.095 -11.768 1.00 63.32 C ATOM 780 C LEU A 50 17.172 -5.207 -10.802 1.00 22.12 C ATOM 781 O LEU A 50 17.327 -6.215 -10.113 1.00 43.12 O ATOM 782 CB LEU A 50 14.679 -5.166 -10.996 1.00 73.12 C ATOM 783 CG LEU A 50 13.406 -5.210 -11.843 1.00 45.23 C ATOM 784 CD1 LEU A 50 13.065 -6.643 -12.221 1.00 23.05 C ATOM 785 CD2 LEU A 50 12.248 -4.562 -11.099 1.00 52.14 C ATOM 0 H LEU A 50 15.700 -7.053 -12.459 1.00 12.11 H new ATOM 0 HA LEU A 50 16.060 -4.134 -12.279 1.00 63.32 H new ATOM 0 HB2 LEU A 50 14.700 -6.052 -10.362 1.00 73.12 H new ATOM 0 HB3 LEU A 50 14.622 -4.302 -10.334 1.00 73.12 H new ATOM 0 HG LEU A 50 13.583 -4.647 -12.760 1.00 45.23 H new ATOM 0 HD11 LEU A 50 12.157 -6.654 -12.823 1.00 23.05 H new ATOM 0 HD12 LEU A 50 13.886 -7.073 -12.795 1.00 23.05 H new ATOM 0 HD13 LEU A 50 12.908 -7.230 -11.316 1.00 23.05 H new ATOM 0 HD21 LEU A 50 11.351 -4.602 -11.717 1.00 52.14 H new ATOM 0 HD22 LEU A 50 12.071 -5.096 -10.166 1.00 52.14 H new ATOM 0 HD23 LEU A 50 12.492 -3.522 -10.881 1.00 52.14 H new ATOM 797 N GLU A 51 17.995 -4.164 -10.756 1.00 21.15 N ATOM 798 CA GLU A 51 19.155 -4.146 -9.872 1.00 10.30 C ATOM 799 C GLU A 51 18.906 -3.244 -8.666 1.00 60.31 C ATOM 800 O GLU A 51 17.872 -2.583 -8.575 1.00 53.21 O ATOM 801 CB GLU A 51 20.395 -3.669 -10.631 1.00 71.14 C ATOM 802 CG GLU A 51 21.010 -4.735 -11.523 1.00 33.02 C ATOM 803 CD GLU A 51 21.883 -5.706 -10.753 1.00 64.40 C ATOM 804 OE1 GLU A 51 21.941 -6.891 -11.145 1.00 53.23 O ATOM 805 OE2 GLU A 51 22.509 -5.283 -9.759 1.00 43.11 O ATOM 0 H GLU A 51 17.880 -3.322 -11.320 1.00 21.15 H new ATOM 0 HA GLU A 51 19.324 -5.162 -9.516 1.00 10.30 H new ATOM 0 HB2 GLU A 51 20.128 -2.806 -11.241 1.00 71.14 H new ATOM 0 HB3 GLU A 51 21.143 -3.332 -9.913 1.00 71.14 H new ATOM 0 HG2 GLU A 51 20.215 -5.286 -12.025 1.00 33.02 H new ATOM 0 HG3 GLU A 51 21.605 -4.255 -12.300 1.00 33.02 H new ATOM 812 N ASP A 52 19.861 -3.224 -7.743 1.00 31.42 N ATOM 813 CA ASP A 52 19.747 -2.405 -6.542 1.00 53.52 C ATOM 814 C ASP A 52 19.588 -0.931 -6.904 1.00 10.15 C ATOM 815 O ASP A 52 19.076 -0.139 -6.112 1.00 62.21 O ATOM 816 CB ASP A 52 20.975 -2.594 -5.650 1.00 73.35 C ATOM 817 CG ASP A 52 22.260 -2.182 -6.340 1.00 64.32 C ATOM 818 OD1 ASP A 52 22.975 -3.073 -6.845 1.00 63.51 O ATOM 819 OD2 ASP A 52 22.551 -0.969 -6.376 1.00 3.40 O ATOM 0 H ASP A 52 20.723 -3.766 -7.803 1.00 31.42 H new ATOM 0 HA ASP A 52 18.860 -2.726 -5.996 1.00 53.52 H new ATOM 0 HB2 ASP A 52 20.852 -2.009 -4.738 1.00 73.35 H new ATOM 0 HB3 ASP A 52 21.046 -3.640 -5.351 1.00 73.35 H new ATOM 824 N SER A 53 20.031 -0.570 -8.104 1.00 22.04 N ATOM 825 CA SER A 53 19.943 0.809 -8.568 1.00 11.40 C ATOM 826 C SER A 53 18.568 1.095 -9.165 1.00 21.31 C ATOM 827 O SER A 53 18.299 2.200 -9.635 1.00 43.40 O ATOM 828 CB SER A 53 21.031 1.091 -9.606 1.00 74.13 C ATOM 829 OG SER A 53 22.272 1.370 -8.982 1.00 32.40 O ATOM 0 H SER A 53 20.454 -1.214 -8.772 1.00 22.04 H new ATOM 0 HA SER A 53 20.091 1.465 -7.710 1.00 11.40 H new ATOM 0 HB2 SER A 53 21.138 0.231 -10.267 1.00 74.13 H new ATOM 0 HB3 SER A 53 20.735 1.936 -10.227 1.00 74.13 H new ATOM 0 HG SER A 53 22.951 1.545 -9.667 1.00 32.40 H new ATOM 835 N LYS A 54 17.700 0.089 -9.143 1.00 22.24 N ATOM 836 CA LYS A 54 16.352 0.229 -9.680 1.00 31.04 C ATOM 837 C LYS A 54 15.306 -0.057 -8.606 1.00 44.33 C ATOM 838 O LYS A 54 15.593 -0.712 -7.603 1.00 42.55 O ATOM 839 CB LYS A 54 16.152 -0.717 -10.866 1.00 23.22 C ATOM 840 CG LYS A 54 17.275 -0.658 -11.887 1.00 25.25 C ATOM 841 CD LYS A 54 17.320 0.688 -12.589 1.00 44.40 C ATOM 842 CE LYS A 54 16.191 0.829 -13.598 1.00 34.14 C ATOM 843 NZ LYS A 54 15.895 2.256 -13.904 1.00 33.11 N ATOM 0 H LYS A 54 17.907 -0.833 -8.759 1.00 22.24 H new ATOM 0 HA LYS A 54 16.228 1.258 -10.019 1.00 31.04 H new ATOM 0 HB2 LYS A 54 16.063 -1.738 -10.495 1.00 23.22 H new ATOM 0 HB3 LYS A 54 15.211 -0.474 -11.359 1.00 23.22 H new ATOM 0 HG2 LYS A 54 18.228 -0.843 -11.392 1.00 25.25 H new ATOM 0 HG3 LYS A 54 17.140 -1.449 -12.624 1.00 25.25 H new ATOM 0 HD2 LYS A 54 17.251 1.487 -11.851 1.00 44.40 H new ATOM 0 HD3 LYS A 54 18.278 0.803 -13.095 1.00 44.40 H new ATOM 0 HE2 LYS A 54 16.459 0.308 -14.518 1.00 34.14 H new ATOM 0 HE3 LYS A 54 15.294 0.347 -13.209 1.00 34.14 H new ATOM 0 HZ1 LYS A 54 15.192 2.308 -14.669 1.00 33.11 H new ATOM 0 HZ2 LYS A 54 15.518 2.722 -13.054 1.00 33.11 H new ATOM 0 HZ3 LYS A 54 16.768 2.735 -14.203 1.00 33.11 H new ATOM 857 N THR A 55 14.091 0.437 -8.824 1.00 3.34 N ATOM 858 CA THR A 55 13.003 0.235 -7.875 1.00 62.25 C ATOM 859 C THR A 55 11.710 -0.135 -8.593 1.00 63.43 C ATOM 860 O THR A 55 11.575 0.078 -9.798 1.00 2.13 O ATOM 861 CB THR A 55 12.761 1.494 -7.022 1.00 34.45 C ATOM 862 OG1 THR A 55 11.947 2.426 -7.743 1.00 23.42 O ATOM 863 CG2 THR A 55 14.078 2.151 -6.641 1.00 4.34 C ATOM 0 H THR A 55 13.836 0.980 -9.649 1.00 3.34 H new ATOM 0 HA THR A 55 13.301 -0.585 -7.222 1.00 62.25 H new ATOM 0 HB THR A 55 12.246 1.194 -6.109 1.00 34.45 H new ATOM 0 HG1 THR A 55 11.797 3.223 -7.193 1.00 23.42 H new ATOM 0 HG21 THR A 55 13.881 3.038 -6.039 1.00 4.34 H new ATOM 0 HG22 THR A 55 14.682 1.449 -6.066 1.00 4.34 H new ATOM 0 HG23 THR A 55 14.616 2.438 -7.544 1.00 4.34 H new ATOM 871 N MET A 56 10.762 -0.691 -7.846 1.00 0.43 N ATOM 872 CA MET A 56 9.478 -1.089 -8.412 1.00 3.52 C ATOM 873 C MET A 56 8.745 0.115 -8.996 1.00 22.11 C ATOM 874 O MET A 56 8.137 0.025 -10.062 1.00 2.40 O ATOM 875 CB MET A 56 8.612 -1.759 -7.344 1.00 71.41 C ATOM 876 CG MET A 56 9.338 -2.845 -6.566 1.00 1.40 C ATOM 877 SD MET A 56 9.999 -4.140 -7.632 1.00 52.12 S ATOM 878 CE MET A 56 11.080 -4.999 -6.491 1.00 75.21 C ATOM 0 H MET A 56 10.858 -0.876 -6.848 1.00 0.43 H new ATOM 0 HA MET A 56 9.668 -1.801 -9.215 1.00 3.52 H new ATOM 0 HB2 MET A 56 8.257 -1.000 -6.647 1.00 71.41 H new ATOM 0 HB3 MET A 56 7.732 -2.191 -7.820 1.00 71.41 H new ATOM 0 HG2 MET A 56 10.153 -2.396 -5.998 1.00 1.40 H new ATOM 0 HG3 MET A 56 8.653 -3.289 -5.844 1.00 1.40 H new ATOM 0 HE1 MET A 56 11.564 -5.830 -7.004 1.00 75.21 H new ATOM 0 HE2 MET A 56 11.839 -4.310 -6.120 1.00 75.21 H new ATOM 0 HE3 MET A 56 10.496 -5.380 -5.653 1.00 75.21 H new ATOM 888 N ALA A 57 8.807 1.239 -8.290 1.00 51.42 N ATOM 889 CA ALA A 57 8.150 2.461 -8.740 1.00 63.51 C ATOM 890 C ALA A 57 8.910 3.097 -9.899 1.00 12.30 C ATOM 891 O ALA A 57 8.346 3.873 -10.671 1.00 44.12 O ATOM 892 CB ALA A 57 8.020 3.445 -7.587 1.00 41.14 C ATOM 0 H ALA A 57 9.305 1.329 -7.404 1.00 51.42 H new ATOM 0 HA ALA A 57 7.153 2.200 -9.094 1.00 63.51 H new ATOM 0 HB1 ALA A 57 7.528 4.353 -7.937 1.00 41.14 H new ATOM 0 HB2 ALA A 57 7.428 2.995 -6.790 1.00 41.14 H new ATOM 0 HB3 ALA A 57 9.011 3.693 -7.207 1.00 41.14 H new ATOM 898 N ASP A 58 10.191 2.765 -10.014 1.00 51.20 N ATOM 899 CA ASP A 58 11.028 3.305 -11.079 1.00 71.35 C ATOM 900 C ASP A 58 10.586 2.774 -12.440 1.00 34.15 C ATOM 901 O ASP A 58 10.626 3.491 -13.440 1.00 31.51 O ATOM 902 CB ASP A 58 12.495 2.951 -10.833 1.00 4.12 C ATOM 903 CG ASP A 58 13.441 3.783 -11.677 1.00 21.04 C ATOM 904 OD1 ASP A 58 13.022 4.241 -12.760 1.00 44.54 O ATOM 905 OD2 ASP A 58 14.600 3.976 -11.253 1.00 15.21 O ATOM 0 H ASP A 58 10.673 2.125 -9.383 1.00 51.20 H new ATOM 0 HA ASP A 58 10.919 4.389 -11.078 1.00 71.35 H new ATOM 0 HB2 ASP A 58 12.729 3.098 -9.779 1.00 4.12 H new ATOM 0 HB3 ASP A 58 12.652 1.895 -11.051 1.00 4.12 H new ATOM 910 N TYR A 59 10.165 1.514 -12.469 1.00 10.22 N ATOM 911 CA TYR A 59 9.719 0.886 -13.707 1.00 15.14 C ATOM 912 C TYR A 59 8.234 1.144 -13.943 1.00 75.44 C ATOM 913 O TYR A 59 7.637 0.597 -14.870 1.00 65.50 O ATOM 914 CB TYR A 59 9.986 -0.619 -13.665 1.00 21.35 C ATOM 915 CG TYR A 59 11.392 -0.996 -14.074 1.00 71.12 C ATOM 916 CD1 TYR A 59 11.900 -0.621 -15.312 1.00 74.43 C ATOM 917 CD2 TYR A 59 12.212 -1.727 -13.224 1.00 62.52 C ATOM 918 CE1 TYR A 59 13.183 -0.964 -15.691 1.00 41.14 C ATOM 919 CE2 TYR A 59 13.497 -2.073 -13.594 1.00 64.13 C ATOM 920 CZ TYR A 59 13.978 -1.689 -14.829 1.00 22.32 C ATOM 921 OH TYR A 59 15.257 -2.033 -15.202 1.00 4.13 O ATOM 0 H TYR A 59 10.123 0.908 -11.650 1.00 10.22 H new ATOM 0 HA TYR A 59 10.282 1.325 -14.531 1.00 15.14 H new ATOM 0 HB2 TYR A 59 9.800 -0.984 -12.655 1.00 21.35 H new ATOM 0 HB3 TYR A 59 9.278 -1.124 -14.322 1.00 21.35 H new ATOM 0 HD1 TYR A 59 11.281 -0.052 -15.989 1.00 74.43 H new ATOM 0 HD2 TYR A 59 11.838 -2.030 -12.257 1.00 62.52 H new ATOM 0 HE1 TYR A 59 13.562 -0.666 -16.658 1.00 41.14 H new ATOM 0 HE2 TYR A 59 14.122 -2.641 -12.920 1.00 64.13 H new ATOM 0 HH TYR A 59 15.683 -2.542 -14.480 1.00 4.13 H new ATOM 931 N ASN A 60 7.643 1.982 -13.098 1.00 31.12 N ATOM 932 CA ASN A 60 6.227 2.313 -13.214 1.00 4.41 C ATOM 933 C ASN A 60 5.360 1.077 -13.000 1.00 72.21 C ATOM 934 O ASN A 60 4.227 1.010 -13.479 1.00 44.43 O ATOM 935 CB ASN A 60 5.936 2.924 -14.586 1.00 70.43 C ATOM 936 CG ASN A 60 7.046 3.843 -15.058 1.00 11.23 C ATOM 937 OD1 ASN A 60 7.258 4.917 -14.495 1.00 3.32 O ATOM 938 ND2 ASN A 60 7.760 3.424 -16.096 1.00 50.51 N ATOM 0 H ASN A 60 8.122 2.444 -12.325 1.00 31.12 H new ATOM 0 HA ASN A 60 5.985 3.042 -12.441 1.00 4.41 H new ATOM 0 HB2 ASN A 60 5.796 2.125 -15.314 1.00 70.43 H new ATOM 0 HB3 ASN A 60 5.001 3.482 -14.541 1.00 70.43 H new ATOM 0 HD21 ASN A 60 8.520 4.000 -16.458 1.00 50.51 H new ATOM 0 HD22 ASN A 60 7.548 2.526 -16.531 1.00 50.51 H new ATOM 945 N ILE A 61 5.899 0.101 -12.278 1.00 34.44 N ATOM 946 CA ILE A 61 5.173 -1.133 -11.999 1.00 2.41 C ATOM 947 C ILE A 61 4.763 -1.210 -10.532 1.00 44.12 C ATOM 948 O ILE A 61 5.611 -1.316 -9.646 1.00 51.32 O ATOM 949 CB ILE A 61 6.015 -2.373 -12.351 1.00 64.00 C ATOM 950 CG1 ILE A 61 7.450 -2.202 -11.848 1.00 21.05 C ATOM 951 CG2 ILE A 61 6.001 -2.614 -13.853 1.00 73.31 C ATOM 952 CD1 ILE A 61 8.336 -3.396 -12.129 1.00 14.30 C ATOM 0 H ILE A 61 6.835 0.140 -11.875 1.00 34.44 H new ATOM 0 HA ILE A 61 4.280 -1.122 -12.623 1.00 2.41 H new ATOM 0 HB ILE A 61 5.578 -3.242 -11.859 1.00 64.00 H new ATOM 0 HG12 ILE A 61 7.887 -1.318 -12.314 1.00 21.05 H new ATOM 0 HG13 ILE A 61 7.430 -2.019 -10.774 1.00 21.05 H new ATOM 0 HG21 ILE A 61 6.601 -3.494 -14.086 1.00 73.31 H new ATOM 0 HG22 ILE A 61 4.976 -2.775 -14.186 1.00 73.31 H new ATOM 0 HG23 ILE A 61 6.417 -1.746 -14.365 1.00 73.31 H new ATOM 0 HD11 ILE A 61 9.338 -3.204 -11.745 1.00 14.30 H new ATOM 0 HD12 ILE A 61 7.923 -4.279 -11.641 1.00 14.30 H new ATOM 0 HD13 ILE A 61 8.386 -3.567 -13.204 1.00 14.30 H new ATOM 964 N GLN A 62 3.459 -1.158 -10.284 1.00 74.15 N ATOM 965 CA GLN A 62 2.937 -1.224 -8.925 1.00 15.54 C ATOM 966 C GLN A 62 1.479 -1.672 -8.922 1.00 71.11 C ATOM 967 O GLN A 62 0.907 -1.968 -9.972 1.00 1.43 O ATOM 968 CB GLN A 62 3.064 0.139 -8.241 1.00 24.34 C ATOM 969 CG GLN A 62 4.434 0.387 -7.630 1.00 23.30 C ATOM 970 CD GLN A 62 4.429 1.523 -6.626 1.00 71.24 C ATOM 971 OE1 GLN A 62 4.299 1.302 -5.422 1.00 25.11 O ATOM 972 NE2 GLN A 62 4.570 2.748 -7.118 1.00 51.22 N ATOM 0 H GLN A 62 2.744 -1.070 -11.007 1.00 74.15 H new ATOM 0 HA GLN A 62 3.525 -1.957 -8.373 1.00 15.54 H new ATOM 0 HB2 GLN A 62 2.852 0.923 -8.969 1.00 24.34 H new ATOM 0 HB3 GLN A 62 2.308 0.216 -7.460 1.00 24.34 H new ATOM 0 HG2 GLN A 62 4.779 -0.524 -7.141 1.00 23.30 H new ATOM 0 HG3 GLN A 62 5.146 0.612 -8.424 1.00 23.30 H new ATOM 0 HE21 GLN A 62 4.675 2.885 -8.123 1.00 51.22 H new ATOM 0 HE22 GLN A 62 4.573 3.552 -6.491 1.00 51.22 H new ATOM 981 N LYS A 63 0.882 -1.721 -7.736 1.00 22.41 N ATOM 982 CA LYS A 63 -0.509 -2.133 -7.595 1.00 74.04 C ATOM 983 C LYS A 63 -0.719 -3.540 -8.147 1.00 10.23 C ATOM 984 O LYS A 63 -1.117 -3.711 -9.298 1.00 75.32 O ATOM 985 CB LYS A 63 -1.430 -1.148 -8.319 1.00 42.34 C ATOM 986 CG LYS A 63 -2.847 -1.662 -8.503 1.00 52.01 C ATOM 987 CD LYS A 63 -3.855 -0.525 -8.524 1.00 44.32 C ATOM 988 CE LYS A 63 -3.687 0.346 -9.760 1.00 62.21 C ATOM 989 NZ LYS A 63 -4.239 1.713 -9.555 1.00 12.34 N ATOM 0 H LYS A 63 1.341 -1.480 -6.857 1.00 22.41 H new ATOM 0 HA LYS A 63 -0.754 -2.138 -6.533 1.00 74.04 H new ATOM 0 HB2 LYS A 63 -1.461 -0.214 -7.758 1.00 42.34 H new ATOM 0 HB3 LYS A 63 -1.006 -0.919 -9.297 1.00 42.34 H new ATOM 0 HG2 LYS A 63 -2.913 -2.225 -9.434 1.00 52.01 H new ATOM 0 HG3 LYS A 63 -3.092 -2.352 -7.696 1.00 52.01 H new ATOM 0 HD2 LYS A 63 -4.866 -0.933 -8.500 1.00 44.32 H new ATOM 0 HD3 LYS A 63 -3.736 0.085 -7.629 1.00 44.32 H new ATOM 0 HE2 LYS A 63 -2.629 0.416 -10.014 1.00 62.21 H new ATOM 0 HE3 LYS A 63 -4.187 -0.124 -10.606 1.00 62.21 H new ATOM 0 HZ1 LYS A 63 -4.105 2.275 -10.420 1.00 12.34 H new ATOM 0 HZ2 LYS A 63 -5.254 1.649 -9.338 1.00 12.34 H new ATOM 0 HZ3 LYS A 63 -3.744 2.172 -8.764 1.00 12.34 H new ATOM 1003 N GLU A 64 -0.449 -4.542 -7.316 1.00 72.34 N ATOM 1004 CA GLU A 64 -0.609 -5.934 -7.722 1.00 54.43 C ATOM 1005 C GLU A 64 0.306 -6.266 -8.897 1.00 72.52 C ATOM 1006 O GLU A 64 0.070 -7.228 -9.629 1.00 31.15 O ATOM 1007 CB GLU A 64 -2.065 -6.213 -8.101 1.00 34.34 C ATOM 1008 CG GLU A 64 -3.069 -5.684 -7.090 1.00 32.40 C ATOM 1009 CD GLU A 64 -4.228 -6.637 -6.865 1.00 45.20 C ATOM 1010 OE1 GLU A 64 -4.477 -7.485 -7.747 1.00 21.41 O ATOM 1011 OE2 GLU A 64 -4.884 -6.534 -5.808 1.00 55.32 O ATOM 0 H GLU A 64 -0.119 -4.416 -6.359 1.00 72.34 H new ATOM 0 HA GLU A 64 -0.333 -6.566 -6.878 1.00 54.43 H new ATOM 0 HB2 GLU A 64 -2.271 -5.765 -9.073 1.00 34.34 H new ATOM 0 HB3 GLU A 64 -2.204 -7.289 -8.210 1.00 34.34 H new ATOM 0 HG2 GLU A 64 -2.563 -5.503 -6.142 1.00 32.40 H new ATOM 0 HG3 GLU A 64 -3.454 -4.724 -7.434 1.00 32.40 H new ATOM 1018 N SER A 65 1.351 -5.464 -9.072 1.00 13.33 N ATOM 1019 CA SER A 65 2.299 -5.669 -10.160 1.00 24.43 C ATOM 1020 C SER A 65 2.815 -7.105 -10.167 1.00 22.25 C ATOM 1021 O SER A 65 3.225 -7.636 -9.134 1.00 5.35 O ATOM 1022 CB SER A 65 3.472 -4.695 -10.033 1.00 50.14 C ATOM 1023 OG SER A 65 3.480 -3.765 -11.103 1.00 61.40 O ATOM 0 H SER A 65 1.563 -4.666 -8.474 1.00 13.33 H new ATOM 0 HA SER A 65 1.781 -5.482 -11.101 1.00 24.43 H new ATOM 0 HB2 SER A 65 3.406 -4.162 -9.084 1.00 50.14 H new ATOM 0 HB3 SER A 65 4.410 -5.250 -10.022 1.00 50.14 H new ATOM 0 HG SER A 65 3.564 -4.245 -11.953 1.00 61.40 H new ATOM 1029 N THR A 66 2.791 -7.731 -11.340 1.00 4.54 N ATOM 1030 CA THR A 66 3.255 -9.105 -11.483 1.00 12.14 C ATOM 1031 C THR A 66 4.758 -9.155 -11.730 1.00 61.31 C ATOM 1032 O THR A 66 5.230 -8.822 -12.818 1.00 22.11 O ATOM 1033 CB THR A 66 2.532 -9.824 -12.637 1.00 34.32 C ATOM 1034 OG1 THR A 66 1.119 -9.828 -12.403 1.00 52.54 O ATOM 1035 CG2 THR A 66 3.030 -11.254 -12.780 1.00 63.22 C ATOM 0 H THR A 66 2.455 -7.307 -12.205 1.00 4.54 H new ATOM 0 HA THR A 66 3.027 -9.615 -10.547 1.00 12.14 H new ATOM 0 HB THR A 66 2.746 -9.287 -13.561 1.00 34.32 H new ATOM 0 HG1 THR A 66 0.666 -10.285 -13.142 1.00 52.54 H new ATOM 0 HG21 THR A 66 2.505 -11.742 -13.601 1.00 63.22 H new ATOM 0 HG22 THR A 66 4.100 -11.248 -12.986 1.00 63.22 H new ATOM 0 HG23 THR A 66 2.842 -11.799 -11.855 1.00 63.22 H new ATOM 1043 N LEU A 67 5.506 -9.574 -10.715 1.00 61.34 N ATOM 1044 CA LEU A 67 6.958 -9.669 -10.823 1.00 72.42 C ATOM 1045 C LEU A 67 7.404 -11.126 -10.893 1.00 25.24 C ATOM 1046 O LEU A 67 6.671 -12.031 -10.493 1.00 70.23 O ATOM 1047 CB LEU A 67 7.624 -8.976 -9.633 1.00 72.04 C ATOM 1048 CG LEU A 67 9.006 -8.376 -9.894 1.00 11.12 C ATOM 1049 CD1 LEU A 67 9.206 -7.116 -9.065 1.00 75.24 C ATOM 1050 CD2 LEU A 67 10.095 -9.394 -9.590 1.00 63.14 C ATOM 0 H LEU A 67 5.131 -9.853 -9.808 1.00 61.34 H new ATOM 0 HA LEU A 67 7.263 -9.170 -11.743 1.00 72.42 H new ATOM 0 HB2 LEU A 67 6.964 -8.181 -9.285 1.00 72.04 H new ATOM 0 HB3 LEU A 67 7.710 -9.697 -8.820 1.00 72.04 H new ATOM 0 HG LEU A 67 9.071 -8.107 -10.948 1.00 11.12 H new ATOM 0 HD11 LEU A 67 10.195 -6.703 -9.264 1.00 75.24 H new ATOM 0 HD12 LEU A 67 8.446 -6.381 -9.330 1.00 75.24 H new ATOM 0 HD13 LEU A 67 9.121 -7.360 -8.006 1.00 75.24 H new ATOM 0 HD21 LEU A 67 11.072 -8.950 -9.781 1.00 63.14 H new ATOM 0 HD22 LEU A 67 10.031 -9.694 -8.544 1.00 63.14 H new ATOM 0 HD23 LEU A 67 9.963 -10.269 -10.227 1.00 63.14 H new ATOM 1062 N HIS A 68 8.613 -11.346 -11.400 1.00 42.34 N ATOM 1063 CA HIS A 68 9.159 -12.693 -11.519 1.00 43.04 C ATOM 1064 C HIS A 68 10.506 -12.798 -10.810 1.00 11.01 C ATOM 1065 O HIS A 68 11.436 -12.050 -11.109 1.00 52.42 O ATOM 1066 CB HIS A 68 9.314 -13.075 -12.992 1.00 4.03 C ATOM 1067 CG HIS A 68 8.110 -13.757 -13.563 1.00 70.45 C ATOM 1068 ND1 HIS A 68 8.150 -15.023 -14.110 1.00 5.21 N ATOM 1069 CD2 HIS A 68 6.825 -13.344 -13.670 1.00 65.12 C ATOM 1070 CE1 HIS A 68 6.943 -15.358 -14.530 1.00 4.44 C ATOM 1071 NE2 HIS A 68 6.121 -14.356 -14.274 1.00 72.30 N ATOM 0 H HIS A 68 9.233 -10.609 -11.735 1.00 42.34 H new ATOM 0 HA HIS A 68 8.463 -13.384 -11.043 1.00 43.04 H new ATOM 0 HB2 HIS A 68 9.521 -12.176 -13.572 1.00 4.03 H new ATOM 0 HB3 HIS A 68 10.178 -13.731 -13.100 1.00 4.03 H new ATOM 0 HD2 HIS A 68 6.428 -12.395 -13.341 1.00 65.12 H new ATOM 0 HE1 HIS A 68 6.674 -16.291 -15.002 1.00 4.44 H new ATOM 0 HE2 HIS A 68 5.124 -14.337 -14.490 1.00 72.30 H new ATOM 1079 N MET A 69 10.602 -13.731 -9.868 1.00 40.13 N ATOM 1080 CA MET A 69 11.835 -13.933 -9.117 1.00 23.43 C ATOM 1081 C MET A 69 12.409 -15.323 -9.377 1.00 14.21 C ATOM 1082 O MET A 69 11.680 -16.315 -9.379 1.00 63.33 O ATOM 1083 CB MET A 69 11.582 -13.746 -7.620 1.00 0.44 C ATOM 1084 CG MET A 69 12.834 -13.884 -6.769 1.00 64.24 C ATOM 1085 SD MET A 69 12.494 -14.575 -5.139 1.00 61.10 S ATOM 1086 CE MET A 69 12.991 -16.279 -5.383 1.00 1.53 C ATOM 0 H MET A 69 9.841 -14.358 -9.607 1.00 40.13 H new ATOM 0 HA MET A 69 12.560 -13.191 -9.452 1.00 23.43 H new ATOM 0 HB2 MET A 69 11.147 -12.761 -7.454 1.00 0.44 H new ATOM 0 HB3 MET A 69 10.846 -14.479 -7.290 1.00 0.44 H new ATOM 0 HG2 MET A 69 13.552 -14.520 -7.286 1.00 64.24 H new ATOM 0 HG3 MET A 69 13.300 -12.905 -6.654 1.00 64.24 H new ATOM 0 HE1 MET A 69 12.543 -16.903 -4.610 1.00 1.53 H new ATOM 0 HE2 MET A 69 12.656 -16.619 -6.363 1.00 1.53 H new ATOM 0 HE3 MET A 69 14.077 -16.353 -5.325 1.00 1.53 H new ATOM 1096 N VAL A 70 13.718 -15.386 -9.596 1.00 61.32 N ATOM 1097 CA VAL A 70 14.389 -16.654 -9.857 1.00 21.33 C ATOM 1098 C VAL A 70 15.226 -17.089 -8.659 1.00 71.50 C ATOM 1099 O VAL A 70 15.994 -16.302 -8.105 1.00 45.15 O ATOM 1100 CB VAL A 70 15.297 -16.564 -11.098 1.00 32.32 C ATOM 1101 CG1 VAL A 70 14.461 -16.493 -12.367 1.00 0.13 C ATOM 1102 CG2 VAL A 70 16.225 -15.364 -10.993 1.00 0.24 C ATOM 0 H VAL A 70 14.335 -14.574 -9.598 1.00 61.32 H new ATOM 0 HA VAL A 70 13.609 -17.393 -10.040 1.00 21.33 H new ATOM 0 HB VAL A 70 15.909 -17.464 -11.145 1.00 32.32 H new ATOM 0 HG11 VAL A 70 15.119 -16.430 -13.233 1.00 0.13 H new ATOM 0 HG12 VAL A 70 13.842 -17.387 -12.446 1.00 0.13 H new ATOM 0 HG13 VAL A 70 13.821 -15.611 -12.332 1.00 0.13 H new ATOM 0 HG21 VAL A 70 16.859 -15.316 -11.878 1.00 0.24 H new ATOM 0 HG22 VAL A 70 15.633 -14.452 -10.921 1.00 0.24 H new ATOM 0 HG23 VAL A 70 16.849 -15.463 -10.105 1.00 0.24 H new ATOM 1112 N LEU A 71 15.073 -18.348 -8.263 1.00 75.34 N ATOM 1113 CA LEU A 71 15.815 -18.890 -7.130 1.00 71.14 C ATOM 1114 C LEU A 71 16.878 -19.879 -7.599 1.00 12.14 C ATOM 1115 O LEU A 71 16.659 -20.641 -8.541 1.00 10.34 O ATOM 1116 CB LEU A 71 14.861 -19.575 -6.151 1.00 34.31 C ATOM 1117 CG LEU A 71 14.152 -20.828 -6.669 1.00 4.33 C ATOM 1118 CD1 LEU A 71 14.478 -22.027 -5.792 1.00 5.53 C ATOM 1119 CD2 LEU A 71 12.649 -20.603 -6.730 1.00 54.05 C ATOM 0 H LEU A 71 14.442 -19.013 -8.710 1.00 75.34 H new ATOM 0 HA LEU A 71 16.313 -18.063 -6.624 1.00 71.14 H new ATOM 0 HB2 LEU A 71 15.422 -19.843 -5.256 1.00 34.31 H new ATOM 0 HB3 LEU A 71 14.103 -18.852 -5.848 1.00 34.31 H new ATOM 0 HG LEU A 71 14.510 -21.034 -7.678 1.00 4.33 H new ATOM 0 HD11 LEU A 71 13.965 -22.909 -6.176 1.00 5.53 H new ATOM 0 HD12 LEU A 71 15.554 -22.201 -5.799 1.00 5.53 H new ATOM 0 HD13 LEU A 71 14.149 -21.831 -4.771 1.00 5.53 H new ATOM 0 HD21 LEU A 71 12.161 -21.504 -7.101 1.00 54.05 H new ATOM 0 HD22 LEU A 71 12.275 -20.372 -5.733 1.00 54.05 H new ATOM 0 HD23 LEU A 71 12.433 -19.771 -7.401 1.00 54.05 H new