USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 640 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 51 LYS NZ :NH3+ -138:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 GLN : amide:sc= 0.48 X(o=1.3,f=0.89) USER MOD Set 2.2: A 14 TYR OH : rot -79:sc= 0.521 USER MOD Set 2.3: A 36 THR OG1 : rot 175:sc= 0.34 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 37:sc= 0.017 USER MOD Single : A 17 THR OG1 : rot 55:sc= 0.0103 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= 0.677 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.857) USER MOD Single : A 30 GLN : amide:sc= -0.783 K(o=-0.78,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -0.533 (180deg=-1.51!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 43 GLN : amide:sc= -4.68! C(o=-4.7!,f=-9.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -60:sc= -1.63 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -146:sc= -2.59 (180deg=-9.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 4.266 1.241 -2.709 1.00 0.51 N ATOM 19 CA ALA A 2 5.052 2.394 -3.131 1.00 51.22 C ATOM 20 C ALA A 2 4.165 3.462 -3.762 1.00 72.15 C ATOM 21 O ALA A 2 3.272 3.154 -4.554 1.00 22.15 O ATOM 22 CB ALA A 2 6.138 1.964 -4.106 1.00 3.03 C ATOM 0 HA ALA A 2 5.522 2.825 -2.247 1.00 51.22 H new ATOM 0 HB1 ALA A 2 6.717 2.835 -4.413 1.00 3.03 H new ATOM 0 HB2 ALA A 2 6.796 1.242 -3.622 1.00 3.03 H new ATOM 0 HB3 ALA A 2 5.680 1.506 -4.982 1.00 3.03 H new ATOM 28 N LEU A 3 4.415 4.717 -3.408 1.00 51.51 N ATOM 29 CA LEU A 3 3.638 5.832 -3.940 1.00 30.21 C ATOM 30 C LEU A 3 4.456 6.635 -4.946 1.00 2.23 C ATOM 31 O LEU A 3 5.428 7.306 -4.598 1.00 11.34 O ATOM 32 CB LEU A 3 3.170 6.742 -2.803 1.00 24.23 C ATOM 33 CG LEU A 3 3.260 8.245 -3.066 1.00 52.43 C ATOM 34 CD1 LEU A 3 2.308 8.649 -4.181 1.00 54.42 C ATOM 35 CD2 LEU A 3 2.960 9.028 -1.796 1.00 52.24 C ATOM 0 H LEU A 3 5.150 4.989 -2.755 1.00 51.51 H new ATOM 0 HA LEU A 3 2.767 5.424 -4.452 1.00 30.21 H new ATOM 0 HB2 LEU A 3 2.134 6.496 -2.570 1.00 24.23 H new ATOM 0 HB3 LEU A 3 3.759 6.513 -1.915 1.00 24.23 H new ATOM 0 HG LEU A 3 4.277 8.479 -3.381 1.00 52.43 H new ATOM 0 HD11 LEU A 3 2.386 9.722 -4.355 1.00 54.42 H new ATOM 0 HD12 LEU A 3 2.569 8.114 -5.094 1.00 54.42 H new ATOM 0 HD13 LEU A 3 1.286 8.401 -3.895 1.00 54.42 H new ATOM 0 HD21 LEU A 3 3.029 10.096 -2.002 1.00 52.24 H new ATOM 0 HD22 LEU A 3 1.954 8.789 -1.450 1.00 52.24 H new ATOM 0 HD23 LEU A 3 3.682 8.760 -1.024 1.00 52.24 H new ATOM 47 N PRO A 4 4.054 6.568 -6.224 1.00 5.43 N ATOM 48 CA PRO A 4 4.735 7.286 -7.306 1.00 21.41 C ATOM 49 C PRO A 4 4.532 8.794 -7.219 1.00 5.43 C ATOM 50 O PRO A 4 3.560 9.266 -6.628 1.00 44.21 O ATOM 51 CB PRO A 4 4.075 6.730 -8.570 1.00 72.41 C ATOM 52 CG PRO A 4 2.730 6.270 -8.124 1.00 73.00 C ATOM 53 CD PRO A 4 2.905 5.788 -6.710 1.00 75.05 C ATOM 0 HA PRO A 4 5.815 7.143 -7.274 1.00 21.41 H new ATOM 0 HB2 PRO A 4 3.996 7.494 -9.344 1.00 72.41 H new ATOM 0 HB3 PRO A 4 4.655 5.909 -8.991 1.00 72.41 H new ATOM 0 HG2 PRO A 4 2.004 7.082 -8.173 1.00 73.00 H new ATOM 0 HG3 PRO A 4 2.358 5.471 -8.765 1.00 73.00 H new ATOM 0 HD2 PRO A 4 2.013 5.970 -6.110 1.00 75.05 H new ATOM 0 HD3 PRO A 4 3.102 4.717 -6.672 1.00 75.05 H new ATOM 61 N ILE A 5 5.455 9.546 -7.810 1.00 60.31 N ATOM 62 CA ILE A 5 5.376 11.001 -7.800 1.00 13.10 C ATOM 63 C ILE A 5 6.015 11.595 -9.051 1.00 12.35 C ATOM 64 O ILE A 5 7.105 11.190 -9.455 1.00 72.21 O ATOM 65 CB ILE A 5 6.062 11.594 -6.555 1.00 64.32 C ATOM 66 CG1 ILE A 5 5.430 11.031 -5.281 1.00 14.44 C ATOM 67 CG2 ILE A 5 5.972 13.112 -6.573 1.00 14.23 C ATOM 68 CD1 ILE A 5 5.948 11.675 -4.014 1.00 4.12 C ATOM 0 H ILE A 5 6.266 9.171 -8.302 1.00 60.31 H new ATOM 0 HA ILE A 5 4.317 11.259 -7.778 1.00 13.10 H new ATOM 0 HB ILE A 5 7.115 11.313 -6.570 1.00 64.32 H new ATOM 0 HG12 ILE A 5 4.349 11.165 -5.331 1.00 14.44 H new ATOM 0 HG13 ILE A 5 5.617 9.958 -5.236 1.00 14.44 H new ATOM 0 HG21 ILE A 5 6.461 13.516 -5.687 1.00 14.23 H new ATOM 0 HG22 ILE A 5 6.465 13.495 -7.466 1.00 14.23 H new ATOM 0 HG23 ILE A 5 4.925 13.414 -6.579 1.00 14.23 H new ATOM 0 HD11 ILE A 5 5.456 11.227 -3.151 1.00 4.12 H new ATOM 0 HD12 ILE A 5 7.024 11.519 -3.940 1.00 4.12 H new ATOM 0 HD13 ILE A 5 5.737 12.744 -4.037 1.00 4.12 H new ATOM 80 N ILE A 6 5.330 12.559 -9.657 1.00 42.02 N ATOM 81 CA ILE A 6 5.833 13.211 -10.860 1.00 54.20 C ATOM 82 C ILE A 6 6.593 14.488 -10.517 1.00 35.14 C ATOM 83 O ILE A 6 6.196 15.238 -9.625 1.00 3.33 O ATOM 84 CB ILE A 6 4.690 13.554 -11.834 1.00 33.31 C ATOM 85 CG1 ILE A 6 4.210 12.293 -12.556 1.00 24.33 C ATOM 86 CG2 ILE A 6 5.145 14.604 -12.836 1.00 72.23 C ATOM 87 CD1 ILE A 6 2.705 12.192 -12.661 1.00 33.13 C ATOM 0 H ILE A 6 4.426 12.906 -9.335 1.00 42.02 H new ATOM 0 HA ILE A 6 6.511 12.506 -11.341 1.00 54.20 H new ATOM 0 HB ILE A 6 3.856 13.962 -11.263 1.00 33.31 H new ATOM 0 HG12 ILE A 6 4.638 12.273 -13.558 1.00 24.33 H new ATOM 0 HG13 ILE A 6 4.589 11.417 -12.030 1.00 24.33 H new ATOM 0 HG21 ILE A 6 4.326 14.836 -13.517 1.00 72.23 H new ATOM 0 HG22 ILE A 6 5.443 15.508 -12.305 1.00 72.23 H new ATOM 0 HG23 ILE A 6 5.993 14.221 -13.404 1.00 72.23 H new ATOM 0 HD11 ILE A 6 2.438 11.274 -13.184 1.00 33.13 H new ATOM 0 HD12 ILE A 6 2.271 12.180 -11.661 1.00 33.13 H new ATOM 0 HD13 ILE A 6 2.320 13.049 -13.213 1.00 33.13 H new ATOM 99 N VAL A 7 7.687 14.729 -11.232 1.00 14.51 N ATOM 100 CA VAL A 7 8.501 15.917 -11.005 1.00 43.24 C ATOM 101 C VAL A 7 8.724 16.686 -12.303 1.00 4.23 C ATOM 102 O VAL A 7 9.235 16.141 -13.281 1.00 62.32 O ATOM 103 CB VAL A 7 9.868 15.553 -10.396 1.00 61.51 C ATOM 104 CG1 VAL A 7 10.626 14.605 -11.313 1.00 41.15 C ATOM 105 CG2 VAL A 7 10.682 16.809 -10.124 1.00 33.44 C ATOM 0 H VAL A 7 8.030 14.118 -11.973 1.00 14.51 H new ATOM 0 HA VAL A 7 7.954 16.546 -10.302 1.00 43.24 H new ATOM 0 HB VAL A 7 9.699 15.045 -9.447 1.00 61.51 H new ATOM 0 HG11 VAL A 7 11.589 14.359 -10.866 1.00 41.15 H new ATOM 0 HG12 VAL A 7 10.047 13.692 -11.452 1.00 41.15 H new ATOM 0 HG13 VAL A 7 10.786 15.084 -12.279 1.00 41.15 H new ATOM 0 HG21 VAL A 7 11.645 16.533 -9.694 1.00 33.44 H new ATOM 0 HG22 VAL A 7 10.843 17.348 -11.058 1.00 33.44 H new ATOM 0 HG23 VAL A 7 10.142 17.448 -9.425 1.00 33.44 H new ATOM 115 N LYS A 8 8.338 17.958 -12.304 1.00 65.32 N ATOM 116 CA LYS A 8 8.497 18.805 -13.480 1.00 63.44 C ATOM 117 C LYS A 8 9.611 19.826 -13.269 1.00 73.43 C ATOM 118 O LYS A 8 9.539 20.658 -12.365 1.00 21.52 O ATOM 119 CB LYS A 8 7.184 19.524 -13.797 1.00 43.22 C ATOM 120 CG LYS A 8 6.716 20.451 -12.689 1.00 1.31 C ATOM 121 CD LYS A 8 5.201 20.560 -12.656 1.00 32.24 C ATOM 122 CE LYS A 8 4.675 21.377 -13.826 1.00 32.13 C ATOM 123 NZ LYS A 8 4.251 22.741 -13.404 1.00 33.42 N ATOM 0 H LYS A 8 7.913 18.425 -11.503 1.00 65.32 H new ATOM 0 HA LYS A 8 8.768 18.168 -14.322 1.00 63.44 H new ATOM 0 HB2 LYS A 8 7.307 20.100 -14.714 1.00 43.22 H new ATOM 0 HB3 LYS A 8 6.410 18.781 -13.989 1.00 43.22 H new ATOM 0 HG2 LYS A 8 7.076 20.082 -11.729 1.00 1.31 H new ATOM 0 HG3 LYS A 8 7.150 21.440 -12.834 1.00 1.31 H new ATOM 0 HD2 LYS A 8 4.763 19.562 -12.681 1.00 32.24 H new ATOM 0 HD3 LYS A 8 4.889 21.021 -11.719 1.00 32.24 H new ATOM 0 HE2 LYS A 8 5.448 21.457 -14.590 1.00 32.13 H new ATOM 0 HE3 LYS A 8 3.831 20.859 -14.281 1.00 32.13 H new ATOM 0 HZ1 LYS A 8 3.899 23.266 -14.230 1.00 33.42 H new ATOM 0 HZ2 LYS A 8 3.495 22.665 -12.694 1.00 33.42 H new ATOM 0 HZ3 LYS A 8 5.063 23.245 -12.993 1.00 33.42 H new ATOM 137 N TRP A 9 10.637 19.757 -14.110 1.00 13.03 N ATOM 138 CA TRP A 9 11.765 20.677 -14.015 1.00 55.13 C ATOM 139 C TRP A 9 11.975 21.417 -15.332 1.00 21.13 C ATOM 140 O TRP A 9 12.469 20.846 -16.303 1.00 43.31 O ATOM 141 CB TRP A 9 13.037 19.919 -13.633 1.00 12.34 C ATOM 142 CG TRP A 9 14.294 20.630 -14.033 1.00 24.32 C ATOM 143 CD1 TRP A 9 15.248 20.181 -14.901 1.00 43.01 C ATOM 144 CD2 TRP A 9 14.735 21.914 -13.578 1.00 71.22 C ATOM 145 NE1 TRP A 9 16.255 21.109 -15.014 1.00 4.03 N ATOM 146 CE2 TRP A 9 15.964 22.181 -14.213 1.00 12.41 C ATOM 147 CE3 TRP A 9 14.210 22.865 -12.699 1.00 22.53 C ATOM 148 CZ2 TRP A 9 16.674 23.359 -13.993 1.00 73.23 C ATOM 149 CZ3 TRP A 9 14.916 24.032 -12.482 1.00 2.44 C ATOM 150 CH2 TRP A 9 16.137 24.272 -13.127 1.00 73.01 C ATOM 0 H TRP A 9 10.711 19.075 -14.864 1.00 13.03 H new ATOM 0 HA TRP A 9 11.541 21.409 -13.240 1.00 55.13 H new ATOM 0 HB2 TRP A 9 13.046 19.759 -12.555 1.00 12.34 H new ATOM 0 HB3 TRP A 9 13.020 18.935 -14.102 1.00 12.34 H new ATOM 0 HD1 TRP A 9 15.216 19.236 -15.422 1.00 43.01 H new ATOM 0 HE1 TRP A 9 17.085 21.015 -15.600 1.00 4.03 H new ATOM 0 HE3 TRP A 9 13.269 22.691 -12.198 1.00 22.53 H new ATOM 0 HZ2 TRP A 9 17.615 23.545 -14.489 1.00 73.23 H new ATOM 0 HZ3 TRP A 9 14.520 24.773 -11.803 1.00 2.44 H new ATOM 0 HH2 TRP A 9 16.664 25.195 -12.937 1.00 73.01 H new ATOM 161 N GLY A 10 11.597 22.691 -15.357 1.00 11.42 N ATOM 162 CA GLY A 10 11.753 23.488 -16.560 1.00 30.02 C ATOM 163 C GLY A 10 10.495 23.513 -17.406 1.00 4.03 C ATOM 164 O GLY A 10 9.713 24.460 -17.339 1.00 71.02 O ATOM 0 H GLY A 10 11.185 23.186 -14.566 1.00 11.42 H new ATOM 0 HA2 GLY A 10 12.022 24.508 -16.284 1.00 30.02 H new ATOM 0 HA3 GLY A 10 12.577 23.090 -17.152 1.00 30.02 H new ATOM 168 N GLY A 11 10.301 22.469 -18.206 1.00 22.12 N ATOM 169 CA GLY A 11 9.129 22.396 -19.059 1.00 21.25 C ATOM 170 C GLY A 11 8.755 20.969 -19.408 1.00 52.23 C ATOM 171 O GLY A 11 8.045 20.729 -20.384 1.00 52.34 O ATOM 0 H GLY A 11 10.934 21.673 -18.279 1.00 22.12 H new ATOM 0 HA2 GLY A 11 8.288 22.877 -18.559 1.00 21.25 H new ATOM 0 HA3 GLY A 11 9.316 22.954 -19.976 1.00 21.25 H new ATOM 175 N GLN A 12 9.235 20.021 -18.611 1.00 32.53 N ATOM 176 CA GLN A 12 8.948 18.610 -18.843 1.00 53.04 C ATOM 177 C GLN A 12 8.434 17.942 -17.572 1.00 54.24 C ATOM 178 O GLN A 12 8.379 18.565 -16.512 1.00 75.44 O ATOM 179 CB GLN A 12 10.201 17.888 -19.342 1.00 11.31 C ATOM 180 CG GLN A 12 10.520 18.162 -20.803 1.00 3.34 C ATOM 181 CD GLN A 12 10.803 16.895 -21.586 1.00 12.42 C ATOM 182 OE1 GLN A 12 11.703 16.128 -21.244 1.00 44.32 O ATOM 183 NE2 GLN A 12 10.032 16.669 -22.643 1.00 65.24 N ATOM 0 H GLN A 12 9.824 20.204 -17.799 1.00 32.53 H new ATOM 0 HA GLN A 12 8.172 18.544 -19.605 1.00 53.04 H new ATOM 0 HB2 GLN A 12 11.052 18.189 -18.730 1.00 11.31 H new ATOM 0 HB3 GLN A 12 10.072 16.815 -19.202 1.00 11.31 H new ATOM 0 HG2 GLN A 12 9.683 18.688 -21.261 1.00 3.34 H new ATOM 0 HG3 GLN A 12 11.384 18.823 -20.864 1.00 3.34 H new ATOM 0 HE21 GLN A 12 9.298 17.332 -22.890 1.00 65.24 H new ATOM 0 HE22 GLN A 12 10.174 15.832 -23.208 1.00 65.24 H new ATOM 192 N GLU A 13 8.058 16.672 -17.687 1.00 41.13 N ATOM 193 CA GLU A 13 7.547 15.921 -16.547 1.00 2.04 C ATOM 194 C GLU A 13 8.221 14.555 -16.448 1.00 41.44 C ATOM 195 O GLU A 13 8.470 13.900 -17.460 1.00 61.24 O ATOM 196 CB GLU A 13 6.031 15.747 -16.660 1.00 23.01 C ATOM 197 CG GLU A 13 5.262 17.055 -16.594 1.00 12.51 C ATOM 198 CD GLU A 13 3.769 16.864 -16.776 1.00 74.00 C ATOM 199 OE1 GLU A 13 3.341 15.711 -16.994 1.00 63.14 O ATOM 200 OE2 GLU A 13 3.028 17.866 -16.701 1.00 13.24 O ATOM 0 H GLU A 13 8.098 16.142 -18.558 1.00 41.13 H new ATOM 0 HA GLU A 13 7.774 16.485 -15.642 1.00 2.04 H new ATOM 0 HB2 GLU A 13 5.800 15.247 -17.601 1.00 23.01 H new ATOM 0 HB3 GLU A 13 5.688 15.093 -15.858 1.00 23.01 H new ATOM 0 HG2 GLU A 13 5.449 17.534 -15.633 1.00 12.51 H new ATOM 0 HG3 GLU A 13 5.635 17.730 -17.364 1.00 12.51 H new ATOM 207 N TYR A 14 8.514 14.134 -15.223 1.00 71.33 N ATOM 208 CA TYR A 14 9.162 12.848 -14.992 1.00 74.00 C ATOM 209 C TYR A 14 8.499 12.104 -13.836 1.00 41.43 C ATOM 210 O TYR A 14 8.513 12.568 -12.696 1.00 75.01 O ATOM 211 CB TYR A 14 10.649 13.048 -14.698 1.00 43.23 C ATOM 212 CG TYR A 14 11.404 13.717 -15.825 1.00 2.12 C ATOM 213 CD1 TYR A 14 11.312 15.088 -16.031 1.00 2.22 C ATOM 214 CD2 TYR A 14 12.208 12.978 -16.684 1.00 5.34 C ATOM 215 CE1 TYR A 14 12.000 15.704 -17.059 1.00 75.30 C ATOM 216 CE2 TYR A 14 12.900 13.586 -17.713 1.00 65.55 C ATOM 217 CZ TYR A 14 12.793 14.948 -17.897 1.00 54.33 C ATOM 218 OH TYR A 14 13.479 15.557 -18.923 1.00 23.31 O ATOM 0 H TYR A 14 8.313 14.664 -14.375 1.00 71.33 H new ATOM 0 HA TYR A 14 9.055 12.248 -15.896 1.00 74.00 H new ATOM 0 HB2 TYR A 14 10.755 13.648 -13.794 1.00 43.23 H new ATOM 0 HB3 TYR A 14 11.104 12.079 -14.492 1.00 43.23 H new ATOM 0 HD1 TYR A 14 10.692 15.683 -15.376 1.00 2.22 H new ATOM 0 HD2 TYR A 14 12.293 11.910 -16.545 1.00 5.34 H new ATOM 0 HE1 TYR A 14 11.917 16.771 -17.205 1.00 75.30 H new ATOM 0 HE2 TYR A 14 13.522 12.997 -18.371 1.00 65.55 H new ATOM 0 HH TYR A 14 12.867 15.729 -19.669 1.00 23.31 H new ATOM 228 N SER A 15 7.920 10.947 -14.140 1.00 44.02 N ATOM 229 CA SER A 15 7.249 10.139 -13.129 1.00 4.04 C ATOM 230 C SER A 15 8.253 9.278 -12.368 1.00 30.22 C ATOM 231 O SER A 15 9.084 8.596 -12.968 1.00 4.43 O ATOM 232 CB SER A 15 6.187 9.250 -13.778 1.00 15.53 C ATOM 233 OG SER A 15 6.685 8.634 -14.952 1.00 50.45 O ATOM 0 H SER A 15 7.902 10.548 -15.079 1.00 44.02 H new ATOM 0 HA SER A 15 6.765 10.814 -12.423 1.00 4.04 H new ATOM 0 HB2 SER A 15 5.867 8.485 -13.070 1.00 15.53 H new ATOM 0 HB3 SER A 15 5.308 9.847 -14.022 1.00 15.53 H new ATOM 0 HG SER A 15 7.625 8.391 -14.820 1.00 50.45 H new ATOM 239 N VAL A 16 8.169 9.314 -11.042 1.00 32.14 N ATOM 240 CA VAL A 16 9.068 8.537 -10.197 1.00 71.30 C ATOM 241 C VAL A 16 8.461 7.182 -9.849 1.00 42.01 C ATOM 242 O VAL A 16 7.284 7.087 -9.499 1.00 42.14 O ATOM 243 CB VAL A 16 9.403 9.287 -8.894 1.00 74.11 C ATOM 244 CG1 VAL A 16 10.262 8.422 -7.985 1.00 64.34 C ATOM 245 CG2 VAL A 16 10.097 10.605 -9.202 1.00 54.01 C ATOM 0 H VAL A 16 7.487 9.873 -10.529 1.00 32.14 H new ATOM 0 HA VAL A 16 9.985 8.386 -10.766 1.00 71.30 H new ATOM 0 HB VAL A 16 8.472 9.506 -8.372 1.00 74.11 H new ATOM 0 HG11 VAL A 16 10.488 8.969 -7.070 1.00 64.34 H new ATOM 0 HG12 VAL A 16 9.723 7.507 -7.737 1.00 64.34 H new ATOM 0 HG13 VAL A 16 11.191 8.169 -8.495 1.00 64.34 H new ATOM 0 HG21 VAL A 16 10.326 11.122 -8.270 1.00 54.01 H new ATOM 0 HG22 VAL A 16 11.021 10.411 -9.746 1.00 54.01 H new ATOM 0 HG23 VAL A 16 9.441 11.228 -9.810 1.00 54.01 H new ATOM 255 N THR A 17 9.273 6.134 -9.947 1.00 32.53 N ATOM 256 CA THR A 17 8.817 4.783 -9.643 1.00 54.11 C ATOM 257 C THR A 17 9.922 3.964 -8.987 1.00 61.20 C ATOM 258 O THR A 17 10.733 3.336 -9.669 1.00 50.21 O ATOM 259 CB THR A 17 8.337 4.054 -10.912 1.00 71.42 C ATOM 260 OG1 THR A 17 9.193 4.374 -12.015 1.00 32.15 O ATOM 261 CG2 THR A 17 6.904 4.438 -11.248 1.00 72.40 C ATOM 0 H THR A 17 10.250 6.195 -10.235 1.00 32.53 H new ATOM 0 HA THR A 17 7.981 4.880 -8.950 1.00 54.11 H new ATOM 0 HB THR A 17 8.374 2.981 -10.723 1.00 71.42 H new ATOM 0 HG1 THR A 17 10.122 4.171 -11.778 1.00 32.15 H new ATOM 0 HG21 THR A 17 6.587 3.911 -12.148 1.00 72.40 H new ATOM 0 HG22 THR A 17 6.251 4.166 -10.419 1.00 72.40 H new ATOM 0 HG23 THR A 17 6.846 5.513 -11.418 1.00 72.40 H new ATOM 269 N THR A 18 9.950 3.973 -7.658 1.00 34.32 N ATOM 270 CA THR A 18 10.956 3.231 -6.909 1.00 61.32 C ATOM 271 C THR A 18 10.868 3.536 -5.418 1.00 61.43 C ATOM 272 O THR A 18 11.210 2.699 -4.582 1.00 31.43 O ATOM 273 CB THR A 18 12.378 3.556 -7.405 1.00 72.51 C ATOM 274 OG1 THR A 18 13.344 3.113 -6.446 1.00 23.22 O ATOM 275 CG2 THR A 18 12.540 5.049 -7.643 1.00 53.33 C ATOM 0 H THR A 18 9.287 4.487 -7.078 1.00 34.32 H new ATOM 0 HA THR A 18 10.755 2.172 -7.073 1.00 61.32 H new ATOM 0 HB THR A 18 12.538 3.035 -8.349 1.00 72.51 H new ATOM 0 HG1 THR A 18 14.245 3.322 -6.769 1.00 23.22 H new ATOM 0 HG21 THR A 18 13.552 5.254 -7.993 1.00 53.33 H new ATOM 0 HG22 THR A 18 11.823 5.377 -8.395 1.00 53.33 H new ATOM 0 HG23 THR A 18 12.362 5.587 -6.712 1.00 53.33 H new ATOM 283 N LEU A 19 10.408 4.738 -5.091 1.00 74.04 N ATOM 284 CA LEU A 19 10.274 5.154 -3.699 1.00 73.54 C ATOM 285 C LEU A 19 8.934 4.705 -3.124 1.00 23.14 C ATOM 286 O LEU A 19 7.948 4.574 -3.849 1.00 23.43 O ATOM 287 CB LEU A 19 10.408 6.673 -3.585 1.00 54.11 C ATOM 288 CG LEU A 19 11.733 7.190 -3.025 1.00 63.22 C ATOM 289 CD1 LEU A 19 11.858 6.849 -1.548 1.00 51.53 C ATOM 290 CD2 LEU A 19 12.904 6.613 -3.808 1.00 31.10 C ATOM 0 H LEU A 19 10.121 5.442 -5.771 1.00 74.04 H new ATOM 0 HA LEU A 19 11.071 4.682 -3.125 1.00 73.54 H new ATOM 0 HB2 LEU A 19 10.261 7.106 -4.575 1.00 54.11 H new ATOM 0 HB3 LEU A 19 9.601 7.042 -2.953 1.00 54.11 H new ATOM 0 HG LEU A 19 11.751 8.275 -3.129 1.00 63.22 H new ATOM 0 HD11 LEU A 19 12.807 7.225 -1.167 1.00 51.53 H new ATOM 0 HD12 LEU A 19 11.038 7.310 -0.997 1.00 51.53 H new ATOM 0 HD13 LEU A 19 11.818 5.767 -1.420 1.00 51.53 H new ATOM 0 HD21 LEU A 19 13.839 6.992 -3.396 1.00 31.10 H new ATOM 0 HD22 LEU A 19 12.890 5.526 -3.736 1.00 31.10 H new ATOM 0 HD23 LEU A 19 12.823 6.908 -4.854 1.00 31.10 H new ATOM 302 N SER A 20 8.906 4.473 -1.815 1.00 44.11 N ATOM 303 CA SER A 20 7.688 4.038 -1.142 1.00 24.22 C ATOM 304 C SER A 20 7.443 4.858 0.121 1.00 52.21 C ATOM 305 O SER A 20 8.344 5.530 0.622 1.00 52.13 O ATOM 306 CB SER A 20 7.779 2.552 -0.789 1.00 31.04 C ATOM 307 OG SER A 20 9.100 2.068 -0.956 1.00 21.42 O ATOM 0 H SER A 20 9.713 4.579 -1.200 1.00 44.11 H new ATOM 0 HA SER A 20 6.851 4.192 -1.823 1.00 24.22 H new ATOM 0 HB2 SER A 20 7.460 2.400 0.242 1.00 31.04 H new ATOM 0 HB3 SER A 20 7.097 1.983 -1.421 1.00 31.04 H new ATOM 0 HG SER A 20 9.721 2.631 -0.449 1.00 21.42 H new ATOM 313 N GLU A 21 6.216 4.797 0.629 1.00 10.34 N ATOM 314 CA GLU A 21 5.851 5.535 1.833 1.00 42.30 C ATOM 315 C GLU A 21 6.781 5.182 2.990 1.00 33.15 C ATOM 316 O GLU A 21 6.942 5.960 3.931 1.00 43.24 O ATOM 317 CB GLU A 21 4.401 5.238 2.220 1.00 10.32 C ATOM 318 CG GLU A 21 3.407 5.497 1.100 1.00 31.25 C ATOM 319 CD GLU A 21 2.006 5.031 1.445 1.00 14.13 C ATOM 320 OE1 GLU A 21 1.762 4.709 2.627 1.00 23.22 O ATOM 321 OE2 GLU A 21 1.153 4.989 0.534 1.00 31.52 O ATOM 0 H GLU A 21 5.459 4.245 0.226 1.00 10.34 H new ATOM 0 HA GLU A 21 5.952 6.599 1.621 1.00 42.30 H new ATOM 0 HB2 GLU A 21 4.323 4.196 2.530 1.00 10.32 H new ATOM 0 HB3 GLU A 21 4.132 5.848 3.082 1.00 10.32 H new ATOM 0 HG2 GLU A 21 3.387 6.564 0.877 1.00 31.25 H new ATOM 0 HG3 GLU A 21 3.743 4.989 0.196 1.00 31.25 H new ATOM 328 N ASP A 22 7.388 4.003 2.915 1.00 45.25 N ATOM 329 CA ASP A 22 8.302 3.546 3.955 1.00 64.32 C ATOM 330 C ASP A 22 9.558 4.411 3.993 1.00 24.54 C ATOM 331 O ASP A 22 10.331 4.358 4.950 1.00 24.52 O ATOM 332 CB ASP A 22 8.682 2.083 3.722 1.00 25.42 C ATOM 333 CG ASP A 22 9.448 1.491 4.889 1.00 24.11 C ATOM 334 OD1 ASP A 22 10.681 1.684 4.949 1.00 21.40 O ATOM 335 OD2 ASP A 22 8.815 0.836 5.743 1.00 62.11 O ATOM 0 H ASP A 22 7.264 3.346 2.145 1.00 45.25 H new ATOM 0 HA ASP A 22 7.794 3.633 4.915 1.00 64.32 H new ATOM 0 HB2 ASP A 22 7.778 1.499 3.551 1.00 25.42 H new ATOM 0 HB3 ASP A 22 9.287 2.007 2.818 1.00 25.42 H new ATOM 340 N ASP A 23 9.756 5.205 2.947 1.00 32.12 N ATOM 341 CA ASP A 23 10.918 6.081 2.861 1.00 1.42 C ATOM 342 C ASP A 23 10.560 7.503 3.284 1.00 75.41 C ATOM 343 O ASP A 23 9.677 7.711 4.117 1.00 73.30 O ATOM 344 CB ASP A 23 11.476 6.085 1.437 1.00 5.12 C ATOM 345 CG ASP A 23 11.568 4.691 0.848 1.00 45.42 C ATOM 346 OD1 ASP A 23 10.510 4.114 0.520 1.00 44.53 O ATOM 347 OD2 ASP A 23 12.699 4.178 0.714 1.00 73.22 O ATOM 0 H ASP A 23 9.126 5.260 2.146 1.00 32.12 H new ATOM 0 HA ASP A 23 11.680 5.700 3.541 1.00 1.42 H new ATOM 0 HB2 ASP A 23 10.841 6.703 0.803 1.00 5.12 H new ATOM 0 HB3 ASP A 23 12.466 6.542 1.439 1.00 5.12 H new ATOM 352 N THR A 24 11.251 8.479 2.705 1.00 41.33 N ATOM 353 CA THR A 24 11.008 9.881 3.023 1.00 74.44 C ATOM 354 C THR A 24 10.896 10.721 1.755 1.00 30.54 C ATOM 355 O THR A 24 11.136 10.232 0.651 1.00 25.23 O ATOM 356 CB THR A 24 12.126 10.458 3.911 1.00 61.24 C ATOM 357 OG1 THR A 24 13.259 9.582 3.903 1.00 33.32 O ATOM 358 CG2 THR A 24 11.638 10.652 5.338 1.00 32.32 C ATOM 0 H THR A 24 11.984 8.325 2.013 1.00 41.33 H new ATOM 0 HA THR A 24 10.065 9.923 3.568 1.00 74.44 H new ATOM 0 HB THR A 24 12.415 11.429 3.508 1.00 61.24 H new ATOM 0 HG1 THR A 24 13.966 9.957 4.469 1.00 33.32 H new ATOM 0 HG21 THR A 24 12.445 11.060 5.946 1.00 32.32 H new ATOM 0 HG22 THR A 24 10.795 11.342 5.343 1.00 32.32 H new ATOM 0 HG23 THR A 24 11.324 9.692 5.749 1.00 32.32 H new ATOM 366 N VAL A 25 10.530 11.988 1.921 1.00 22.31 N ATOM 367 CA VAL A 25 10.389 12.897 0.790 1.00 74.30 C ATOM 368 C VAL A 25 11.743 13.208 0.162 1.00 14.34 C ATOM 369 O VAL A 25 11.885 13.219 -1.061 1.00 74.31 O ATOM 370 CB VAL A 25 9.714 14.216 1.211 1.00 5.01 C ATOM 371 CG1 VAL A 25 9.302 15.019 -0.013 1.00 15.33 C ATOM 372 CG2 VAL A 25 8.516 13.939 2.107 1.00 44.43 C ATOM 0 H VAL A 25 10.326 12.408 2.828 1.00 22.31 H new ATOM 0 HA VAL A 25 9.759 12.394 0.056 1.00 74.30 H new ATOM 0 HB VAL A 25 10.433 14.808 1.778 1.00 5.01 H new ATOM 0 HG11 VAL A 25 8.827 15.947 0.304 1.00 15.33 H new ATOM 0 HG12 VAL A 25 10.184 15.248 -0.611 1.00 15.33 H new ATOM 0 HG13 VAL A 25 8.600 14.437 -0.610 1.00 15.33 H new ATOM 0 HG21 VAL A 25 8.051 14.882 2.395 1.00 44.43 H new ATOM 0 HG22 VAL A 25 7.792 13.327 1.568 1.00 44.43 H new ATOM 0 HG23 VAL A 25 8.845 13.409 3.001 1.00 44.43 H new ATOM 382 N LEU A 26 12.736 13.461 1.008 1.00 52.45 N ATOM 383 CA LEU A 26 14.081 13.773 0.536 1.00 13.02 C ATOM 384 C LEU A 26 14.652 12.619 -0.282 1.00 1.24 C ATOM 385 O LEU A 26 15.474 12.826 -1.175 1.00 30.42 O ATOM 386 CB LEU A 26 15.000 14.078 1.721 1.00 74.24 C ATOM 387 CG LEU A 26 15.857 12.915 2.221 1.00 1.14 C ATOM 388 CD1 LEU A 26 17.174 12.857 1.462 1.00 35.12 C ATOM 389 CD2 LEU A 26 16.107 13.042 3.717 1.00 0.41 C ATOM 0 H LEU A 26 12.635 13.456 2.023 1.00 52.45 H new ATOM 0 HA LEU A 26 14.020 14.653 -0.105 1.00 13.02 H new ATOM 0 HB2 LEU A 26 15.662 14.897 1.440 1.00 74.24 H new ATOM 0 HB3 LEU A 26 14.387 14.434 2.549 1.00 74.24 H new ATOM 0 HG LEU A 26 15.316 11.986 2.040 1.00 1.14 H new ATOM 0 HD11 LEU A 26 17.771 12.023 1.832 1.00 35.12 H new ATOM 0 HD12 LEU A 26 16.976 12.718 0.399 1.00 35.12 H new ATOM 0 HD13 LEU A 26 17.721 13.788 1.611 1.00 35.12 H new ATOM 0 HD21 LEU A 26 16.719 12.206 4.056 1.00 0.41 H new ATOM 0 HD22 LEU A 26 16.627 13.978 3.921 1.00 0.41 H new ATOM 0 HD23 LEU A 26 15.155 13.033 4.247 1.00 0.41 H new ATOM 401 N ASP A 27 14.210 11.406 0.028 1.00 20.53 N ATOM 402 CA ASP A 27 14.675 10.219 -0.680 1.00 73.51 C ATOM 403 C ASP A 27 14.134 10.191 -2.106 1.00 63.54 C ATOM 404 O ASP A 27 14.817 9.748 -3.032 1.00 13.43 O ATOM 405 CB ASP A 27 14.247 8.953 0.066 1.00 40.45 C ATOM 406 CG ASP A 27 15.129 7.764 -0.259 1.00 4.13 C ATOM 407 OD1 ASP A 27 15.498 7.603 -1.441 1.00 43.32 O ATOM 408 OD2 ASP A 27 15.452 6.994 0.670 1.00 11.51 O ATOM 0 H ASP A 27 13.530 11.218 0.765 1.00 20.53 H new ATOM 0 HA ASP A 27 15.764 10.255 -0.724 1.00 73.51 H new ATOM 0 HB2 ASP A 27 14.275 9.140 1.139 1.00 40.45 H new ATOM 0 HB3 ASP A 27 13.214 8.716 -0.189 1.00 40.45 H new ATOM 413 N LEU A 28 12.905 10.664 -2.277 1.00 71.11 N ATOM 414 CA LEU A 28 12.272 10.692 -3.591 1.00 14.50 C ATOM 415 C LEU A 28 12.752 11.892 -4.401 1.00 44.02 C ATOM 416 O LEU A 28 13.111 11.761 -5.572 1.00 3.13 O ATOM 417 CB LEU A 28 10.750 10.739 -3.444 1.00 73.54 C ATOM 418 CG LEU A 28 9.945 10.223 -4.638 1.00 14.40 C ATOM 419 CD1 LEU A 28 8.785 9.360 -4.167 1.00 33.02 C ATOM 420 CD2 LEU A 28 9.439 11.385 -5.481 1.00 61.24 C ATOM 0 H LEU A 28 12.327 11.033 -1.522 1.00 71.11 H new ATOM 0 HA LEU A 28 12.553 9.782 -4.122 1.00 14.50 H new ATOM 0 HB2 LEU A 28 10.472 10.158 -2.565 1.00 73.54 H new ATOM 0 HB3 LEU A 28 10.455 11.770 -3.251 1.00 73.54 H new ATOM 0 HG LEU A 28 10.600 9.609 -5.256 1.00 14.40 H new ATOM 0 HD11 LEU A 28 8.224 9.002 -5.030 1.00 33.02 H new ATOM 0 HD12 LEU A 28 9.170 8.508 -3.606 1.00 33.02 H new ATOM 0 HD13 LEU A 28 8.129 9.950 -3.527 1.00 33.02 H new ATOM 0 HD21 LEU A 28 8.868 11.000 -6.326 1.00 61.24 H new ATOM 0 HD22 LEU A 28 8.800 12.025 -4.873 1.00 61.24 H new ATOM 0 HD23 LEU A 28 10.286 11.964 -5.849 1.00 61.24 H new ATOM 432 N LYS A 29 12.759 13.061 -3.770 1.00 41.32 N ATOM 433 CA LYS A 29 13.199 14.285 -4.430 1.00 21.10 C ATOM 434 C LYS A 29 14.662 14.181 -4.848 1.00 43.53 C ATOM 435 O LYS A 29 14.993 14.338 -6.023 1.00 42.22 O ATOM 436 CB LYS A 29 13.007 15.487 -3.502 1.00 74.42 C ATOM 437 CG LYS A 29 11.720 16.252 -3.758 1.00 11.34 C ATOM 438 CD LYS A 29 10.609 15.805 -2.822 1.00 65.51 C ATOM 439 CE LYS A 29 9.749 14.722 -3.456 1.00 51.41 C ATOM 440 NZ LYS A 29 8.346 15.179 -3.662 1.00 23.45 N ATOM 0 H LYS A 29 12.465 13.187 -2.802 1.00 41.32 H new ATOM 0 HA LYS A 29 12.592 14.424 -5.325 1.00 21.10 H new ATOM 0 HB2 LYS A 29 13.016 15.142 -2.468 1.00 74.42 H new ATOM 0 HB3 LYS A 29 13.852 16.165 -3.619 1.00 74.42 H new ATOM 0 HG2 LYS A 29 11.898 17.319 -3.628 1.00 11.34 H new ATOM 0 HG3 LYS A 29 11.407 16.104 -4.792 1.00 11.34 H new ATOM 0 HD2 LYS A 29 11.042 15.431 -1.894 1.00 65.51 H new ATOM 0 HD3 LYS A 29 9.985 16.660 -2.561 1.00 65.51 H new ATOM 0 HE2 LYS A 29 10.180 14.430 -4.413 1.00 51.41 H new ATOM 0 HE3 LYS A 29 9.753 13.836 -2.821 1.00 51.41 H new ATOM 0 HZ1 LYS A 29 7.903 14.612 -4.413 1.00 23.45 H new ATOM 0 HZ2 LYS A 29 7.810 15.062 -2.779 1.00 23.45 H new ATOM 0 HZ3 LYS A 29 8.344 16.182 -3.938 1.00 23.45 H new ATOM 454 N GLN A 30 15.533 13.915 -3.880 1.00 14.54 N ATOM 455 CA GLN A 30 16.960 13.790 -4.149 1.00 42.51 C ATOM 456 C GLN A 30 17.226 12.701 -5.183 1.00 33.24 C ATOM 457 O GLN A 30 18.263 12.700 -5.846 1.00 73.33 O ATOM 458 CB GLN A 30 17.719 13.481 -2.858 1.00 22.13 C ATOM 459 CG GLN A 30 17.807 11.996 -2.545 1.00 21.13 C ATOM 460 CD GLN A 30 19.073 11.360 -3.083 1.00 65.12 C ATOM 461 OE1 GLN A 30 20.071 12.041 -3.322 1.00 1.22 O ATOM 462 NE2 GLN A 30 19.040 10.047 -3.278 1.00 22.23 N ATOM 0 H GLN A 30 15.275 13.782 -2.902 1.00 14.54 H new ATOM 0 HA GLN A 30 17.313 14.740 -4.550 1.00 42.51 H new ATOM 0 HB2 GLN A 30 18.727 13.889 -2.933 1.00 22.13 H new ATOM 0 HB3 GLN A 30 17.230 13.991 -2.028 1.00 22.13 H new ATOM 0 HG2 GLN A 30 17.764 11.853 -1.465 1.00 21.13 H new ATOM 0 HG3 GLN A 30 16.941 11.487 -2.969 1.00 21.13 H new ATOM 0 HE21 GLN A 30 18.192 9.521 -3.067 1.00 22.23 H new ATOM 0 HE22 GLN A 30 19.863 9.564 -3.639 1.00 22.23 H new ATOM 471 N PHE A 31 16.282 11.774 -5.314 1.00 3.13 N ATOM 472 CA PHE A 31 16.415 10.677 -6.266 1.00 0.43 C ATOM 473 C PHE A 31 16.120 11.151 -7.686 1.00 14.32 C ATOM 474 O PHE A 31 16.939 10.987 -8.591 1.00 20.24 O ATOM 475 CB PHE A 31 15.472 9.532 -5.892 1.00 12.24 C ATOM 476 CG PHE A 31 15.386 8.459 -6.939 1.00 43.54 C ATOM 477 CD1 PHE A 31 16.313 7.430 -6.973 1.00 44.33 C ATOM 478 CD2 PHE A 31 14.378 8.480 -7.890 1.00 25.20 C ATOM 479 CE1 PHE A 31 16.237 6.442 -7.937 1.00 3.51 C ATOM 480 CE2 PHE A 31 14.297 7.494 -8.856 1.00 1.42 C ATOM 481 CZ PHE A 31 15.227 6.474 -8.879 1.00 22.25 C ATOM 0 H PHE A 31 15.417 11.761 -4.773 1.00 3.13 H new ATOM 0 HA PHE A 31 17.444 10.318 -6.228 1.00 0.43 H new ATOM 0 HB2 PHE A 31 15.807 9.088 -4.955 1.00 12.24 H new ATOM 0 HB3 PHE A 31 14.475 9.936 -5.715 1.00 12.24 H new ATOM 0 HD1 PHE A 31 17.104 7.399 -6.238 1.00 44.33 H new ATOM 0 HD2 PHE A 31 13.648 9.275 -7.876 1.00 25.20 H new ATOM 0 HE1 PHE A 31 16.967 5.646 -7.954 1.00 3.51 H new ATOM 0 HE2 PHE A 31 13.507 7.522 -9.592 1.00 1.42 H new ATOM 0 HZ PHE A 31 15.165 5.702 -9.632 1.00 22.25 H new ATOM 491 N LEU A 32 14.943 11.740 -7.874 1.00 25.41 N ATOM 492 CA LEU A 32 14.538 12.238 -9.184 1.00 31.43 C ATOM 493 C LEU A 32 15.396 13.427 -9.604 1.00 21.51 C ATOM 494 O LEU A 32 15.826 13.520 -10.754 1.00 2.43 O ATOM 495 CB LEU A 32 13.062 12.641 -9.163 1.00 65.14 C ATOM 496 CG LEU A 32 12.634 13.561 -8.020 1.00 11.02 C ATOM 497 CD1 LEU A 32 12.689 15.017 -8.457 1.00 23.35 C ATOM 498 CD2 LEU A 32 11.236 13.199 -7.540 1.00 10.25 C ATOM 0 H LEU A 32 14.253 11.884 -7.136 1.00 25.41 H new ATOM 0 HA LEU A 32 14.680 11.438 -9.910 1.00 31.43 H new ATOM 0 HB2 LEU A 32 12.827 13.134 -10.107 1.00 65.14 H new ATOM 0 HB3 LEU A 32 12.459 11.734 -9.118 1.00 65.14 H new ATOM 0 HG LEU A 32 13.328 13.426 -7.191 1.00 11.02 H new ATOM 0 HD11 LEU A 32 12.381 15.657 -7.630 1.00 23.35 H new ATOM 0 HD12 LEU A 32 13.707 15.270 -8.752 1.00 23.35 H new ATOM 0 HD13 LEU A 32 12.018 15.169 -9.303 1.00 23.35 H new ATOM 0 HD21 LEU A 32 10.947 13.864 -6.726 1.00 10.25 H new ATOM 0 HD22 LEU A 32 10.530 13.305 -8.363 1.00 10.25 H new ATOM 0 HD23 LEU A 32 11.228 12.168 -7.186 1.00 10.25 H new ATOM 510 N LYS A 33 15.644 14.332 -8.664 1.00 13.41 N ATOM 511 CA LYS A 33 16.454 15.514 -8.934 1.00 54.31 C ATOM 512 C LYS A 33 17.817 15.123 -9.496 1.00 55.12 C ATOM 513 O LYS A 33 18.441 15.890 -10.231 1.00 33.25 O ATOM 514 CB LYS A 33 16.634 16.337 -7.656 1.00 42.14 C ATOM 515 CG LYS A 33 18.078 16.714 -7.375 1.00 3.23 C ATOM 516 CD LYS A 33 18.829 15.579 -6.699 1.00 44.21 C ATOM 517 CE LYS A 33 20.272 15.504 -7.175 1.00 41.40 C ATOM 518 NZ LYS A 33 21.213 16.108 -6.191 1.00 32.21 N ATOM 0 H LYS A 33 15.295 14.270 -7.707 1.00 13.41 H new ATOM 0 HA LYS A 33 15.934 16.118 -9.678 1.00 54.31 H new ATOM 0 HB2 LYS A 33 16.038 17.246 -7.732 1.00 42.14 H new ATOM 0 HB3 LYS A 33 16.244 15.770 -6.811 1.00 42.14 H new ATOM 0 HG2 LYS A 33 18.575 16.975 -8.309 1.00 3.23 H new ATOM 0 HG3 LYS A 33 18.107 17.600 -6.740 1.00 3.23 H new ATOM 0 HD2 LYS A 33 18.808 15.720 -5.618 1.00 44.21 H new ATOM 0 HD3 LYS A 33 18.327 14.634 -6.907 1.00 44.21 H new ATOM 0 HE2 LYS A 33 20.544 14.462 -7.346 1.00 41.40 H new ATOM 0 HE3 LYS A 33 20.366 16.019 -8.131 1.00 41.40 H new ATOM 0 HZ1 LYS A 33 22.058 16.456 -6.687 1.00 32.21 H new ATOM 0 HZ2 LYS A 33 20.746 16.900 -5.706 1.00 32.21 H new ATOM 0 HZ3 LYS A 33 21.492 15.390 -5.492 1.00 32.21 H new ATOM 532 N THR A 34 18.273 13.924 -9.148 1.00 4.10 N ATOM 533 CA THR A 34 19.562 13.431 -9.618 1.00 11.11 C ATOM 534 C THR A 34 19.460 12.898 -11.043 1.00 3.35 C ATOM 535 O THR A 34 20.455 12.842 -11.768 1.00 35.24 O ATOM 536 CB THR A 34 20.105 12.317 -8.703 1.00 11.31 C ATOM 537 OG1 THR A 34 21.505 12.511 -8.473 1.00 70.24 O ATOM 538 CG2 THR A 34 19.872 10.947 -9.321 1.00 52.25 C ATOM 0 H THR A 34 17.769 13.276 -8.542 1.00 4.10 H new ATOM 0 HA THR A 34 20.250 14.276 -9.597 1.00 11.11 H new ATOM 0 HB THR A 34 19.571 12.365 -7.754 1.00 11.31 H new ATOM 0 HG1 THR A 34 21.842 11.800 -7.889 1.00 70.24 H new ATOM 0 HG21 THR A 34 20.264 10.177 -8.657 1.00 52.25 H new ATOM 0 HG22 THR A 34 18.803 10.791 -9.467 1.00 52.25 H new ATOM 0 HG23 THR A 34 20.382 10.890 -10.283 1.00 52.25 H new ATOM 546 N LEU A 35 18.254 12.509 -11.439 1.00 14.11 N ATOM 547 CA LEU A 35 18.022 11.981 -12.779 1.00 12.11 C ATOM 548 C LEU A 35 17.984 13.106 -13.808 1.00 60.14 C ATOM 549 O LEU A 35 18.789 13.138 -14.740 1.00 23.04 O ATOM 550 CB LEU A 35 16.711 11.194 -12.818 1.00 71.25 C ATOM 551 CG LEU A 35 16.427 10.302 -11.610 1.00 20.44 C ATOM 552 CD1 LEU A 35 15.075 9.621 -11.754 1.00 72.24 C ATOM 553 CD2 LEU A 35 17.531 9.268 -11.438 1.00 51.25 C ATOM 0 H LEU A 35 17.421 12.549 -10.852 1.00 14.11 H new ATOM 0 HA LEU A 35 18.847 11.313 -13.028 1.00 12.11 H new ATOM 0 HB2 LEU A 35 15.889 11.902 -12.923 1.00 71.25 H new ATOM 0 HB3 LEU A 35 16.711 10.571 -13.712 1.00 71.25 H new ATOM 0 HG LEU A 35 16.402 10.929 -10.719 1.00 20.44 H new ATOM 0 HD11 LEU A 35 14.891 8.990 -10.884 1.00 72.24 H new ATOM 0 HD12 LEU A 35 14.293 10.377 -11.826 1.00 72.24 H new ATOM 0 HD13 LEU A 35 15.071 9.007 -12.655 1.00 72.24 H new ATOM 0 HD21 LEU A 35 17.312 8.642 -10.573 1.00 51.25 H new ATOM 0 HD22 LEU A 35 17.589 8.646 -12.331 1.00 51.25 H new ATOM 0 HD23 LEU A 35 18.484 9.775 -11.287 1.00 51.25 H new ATOM 565 N THR A 36 17.044 14.030 -13.634 1.00 21.22 N ATOM 566 CA THR A 36 16.902 15.157 -14.546 1.00 53.24 C ATOM 567 C THR A 36 16.709 16.462 -13.782 1.00 40.13 C ATOM 568 O THR A 36 17.065 17.535 -14.267 1.00 42.13 O ATOM 569 CB THR A 36 15.713 14.957 -15.506 1.00 23.24 C ATOM 570 OG1 THR A 36 15.486 16.152 -16.260 1.00 52.42 O ATOM 571 CG2 THR A 36 14.453 14.589 -14.737 1.00 23.13 C ATOM 0 H THR A 36 16.369 14.019 -12.869 1.00 21.22 H new ATOM 0 HA THR A 36 17.823 15.212 -15.126 1.00 53.24 H new ATOM 0 HB THR A 36 15.956 14.140 -16.186 1.00 23.24 H new ATOM 0 HG1 THR A 36 14.784 15.991 -16.925 1.00 52.42 H new ATOM 0 HG21 THR A 36 13.627 14.453 -15.435 1.00 23.13 H new ATOM 0 HG22 THR A 36 14.620 13.663 -14.187 1.00 23.13 H new ATOM 0 HG23 THR A 36 14.208 15.387 -14.037 1.00 23.13 H new ATOM 579 N GLY A 37 16.143 16.363 -12.583 1.00 61.42 N ATOM 580 CA GLY A 37 15.914 17.543 -11.771 1.00 55.20 C ATOM 581 C GLY A 37 17.204 18.227 -11.365 1.00 13.31 C ATOM 582 O GLY A 37 18.291 17.801 -11.756 1.00 13.34 O ATOM 0 H GLY A 37 15.839 15.486 -12.160 1.00 61.42 H new ATOM 0 HA2 GLY A 37 15.292 18.246 -12.325 1.00 55.20 H new ATOM 0 HA3 GLY A 37 15.358 17.262 -10.876 1.00 55.20 H new ATOM 586 N VAL A 38 17.085 19.293 -10.579 1.00 72.02 N ATOM 587 CA VAL A 38 18.251 20.038 -10.120 1.00 51.33 C ATOM 588 C VAL A 38 18.445 19.883 -8.616 1.00 64.12 C ATOM 589 O VAL A 38 17.482 19.902 -7.849 1.00 51.21 O ATOM 590 CB VAL A 38 18.129 21.536 -10.459 1.00 33.10 C ATOM 591 CG1 VAL A 38 16.710 22.026 -10.211 1.00 21.41 C ATOM 592 CG2 VAL A 38 19.130 22.348 -9.652 1.00 25.31 C ATOM 0 H VAL A 38 16.193 19.660 -10.247 1.00 72.02 H new ATOM 0 HA VAL A 38 19.115 19.625 -10.639 1.00 51.33 H new ATOM 0 HB VAL A 38 18.355 21.671 -11.517 1.00 33.10 H new ATOM 0 HG11 VAL A 38 16.643 23.086 -10.456 1.00 21.41 H new ATOM 0 HG12 VAL A 38 16.017 21.464 -10.837 1.00 21.41 H new ATOM 0 HG13 VAL A 38 16.452 21.879 -9.162 1.00 21.41 H new ATOM 0 HG21 VAL A 38 19.030 23.404 -9.904 1.00 25.31 H new ATOM 0 HG22 VAL A 38 18.938 22.209 -8.588 1.00 25.31 H new ATOM 0 HG23 VAL A 38 20.141 22.014 -9.884 1.00 25.31 H new ATOM 602 N LEU A 39 19.698 19.729 -8.200 1.00 54.22 N ATOM 603 CA LEU A 39 20.020 19.571 -6.786 1.00 60.12 C ATOM 604 C LEU A 39 19.446 20.721 -5.965 1.00 5.12 C ATOM 605 O LEU A 39 19.294 21.844 -6.446 1.00 11.13 O ATOM 606 CB LEU A 39 21.536 19.498 -6.594 1.00 32.34 C ATOM 607 CG LEU A 39 22.375 20.358 -7.539 1.00 72.13 C ATOM 608 CD1 LEU A 39 22.519 19.679 -8.892 1.00 62.42 C ATOM 609 CD2 LEU A 39 21.754 21.738 -7.697 1.00 52.20 C ATOM 0 H LEU A 39 20.507 19.710 -8.821 1.00 54.22 H new ATOM 0 HA LEU A 39 19.570 18.641 -6.437 1.00 60.12 H new ATOM 0 HB2 LEU A 39 21.767 19.789 -5.569 1.00 32.34 H new ATOM 0 HB3 LEU A 39 21.847 18.459 -6.708 1.00 32.34 H new ATOM 0 HG LEU A 39 23.369 20.476 -7.106 1.00 72.13 H new ATOM 0 HD11 LEU A 39 23.119 20.306 -9.552 1.00 62.42 H new ATOM 0 HD12 LEU A 39 23.008 18.714 -8.764 1.00 62.42 H new ATOM 0 HD13 LEU A 39 21.533 19.530 -9.331 1.00 62.42 H new ATOM 0 HD21 LEU A 39 22.365 22.337 -8.373 1.00 52.20 H new ATOM 0 HD22 LEU A 39 20.749 21.640 -8.107 1.00 52.20 H new ATOM 0 HD23 LEU A 39 21.703 22.228 -6.724 1.00 52.20 H new ATOM 621 N PRO A 40 19.122 20.437 -4.695 1.00 4.45 N ATOM 622 CA PRO A 40 18.563 21.436 -3.778 1.00 64.23 C ATOM 623 C PRO A 40 19.585 22.497 -3.384 1.00 30.12 C ATOM 624 O PRO A 40 19.221 23.597 -2.970 1.00 45.20 O ATOM 625 CB PRO A 40 18.154 20.607 -2.558 1.00 3.52 C ATOM 626 CG PRO A 40 19.040 19.410 -2.598 1.00 53.15 C ATOM 627 CD PRO A 40 19.277 19.120 -4.055 1.00 4.23 C ATOM 0 HA PRO A 40 17.740 21.989 -4.230 1.00 64.23 H new ATOM 0 HB2 PRO A 40 18.290 21.169 -1.634 1.00 3.52 H new ATOM 0 HB3 PRO A 40 17.103 20.323 -2.607 1.00 3.52 H new ATOM 0 HG2 PRO A 40 19.980 19.602 -2.080 1.00 53.15 H new ATOM 0 HG3 PRO A 40 18.571 18.560 -2.102 1.00 53.15 H new ATOM 0 HD2 PRO A 40 20.270 18.705 -4.226 1.00 4.23 H new ATOM 0 HD3 PRO A 40 18.559 18.398 -4.443 1.00 4.23 H new ATOM 635 N GLU A 41 20.864 22.159 -3.515 1.00 71.53 N ATOM 636 CA GLU A 41 21.937 23.084 -3.172 1.00 23.34 C ATOM 637 C GLU A 41 21.769 24.410 -3.907 1.00 14.21 C ATOM 638 O GLU A 41 22.017 25.478 -3.347 1.00 54.21 O ATOM 639 CB GLU A 41 23.297 22.470 -3.510 1.00 25.10 C ATOM 640 CG GLU A 41 24.467 23.408 -3.263 1.00 51.14 C ATOM 641 CD GLU A 41 24.431 24.034 -1.883 1.00 4.22 C ATOM 642 OE1 GLU A 41 24.569 23.289 -0.890 1.00 71.42 O ATOM 643 OE2 GLU A 41 24.266 25.269 -1.795 1.00 21.34 O ATOM 0 H GLU A 41 21.182 21.252 -3.856 1.00 71.53 H new ATOM 0 HA GLU A 41 21.888 23.274 -2.100 1.00 23.34 H new ATOM 0 HB2 GLU A 41 23.436 21.566 -2.917 1.00 25.10 H new ATOM 0 HB3 GLU A 41 23.299 22.168 -4.557 1.00 25.10 H new ATOM 0 HG2 GLU A 41 25.400 22.858 -3.384 1.00 51.14 H new ATOM 0 HG3 GLU A 41 24.461 24.196 -4.016 1.00 51.14 H new ATOM 650 N ARG A 42 21.346 24.333 -5.164 1.00 53.25 N ATOM 651 CA ARG A 42 21.145 25.527 -5.978 1.00 24.35 C ATOM 652 C ARG A 42 19.660 25.848 -6.115 1.00 1.12 C ATOM 653 O ARG A 42 19.260 27.011 -6.066 1.00 25.02 O ATOM 654 CB ARG A 42 21.767 25.337 -7.362 1.00 61.53 C ATOM 655 CG ARG A 42 23.220 25.776 -7.443 1.00 51.03 C ATOM 656 CD ARG A 42 24.167 24.592 -7.330 1.00 23.05 C ATOM 657 NE ARG A 42 25.559 24.982 -7.539 1.00 52.33 N ATOM 658 CZ ARG A 42 26.595 24.251 -7.144 1.00 12.13 C ATOM 659 NH1 ARG A 42 26.397 23.097 -6.521 1.00 40.24 N ATOM 660 NH2 ARG A 42 27.832 24.673 -7.371 1.00 0.50 N ATOM 0 H ARG A 42 21.136 23.457 -5.642 1.00 53.25 H new ATOM 0 HA ARG A 42 21.635 26.363 -5.479 1.00 24.35 H new ATOM 0 HB2 ARG A 42 21.698 24.285 -7.641 1.00 61.53 H new ATOM 0 HB3 ARG A 42 21.185 25.899 -8.093 1.00 61.53 H new ATOM 0 HG2 ARG A 42 23.393 26.293 -8.387 1.00 51.03 H new ATOM 0 HG3 ARG A 42 23.431 26.489 -6.646 1.00 51.03 H new ATOM 0 HD2 ARG A 42 24.062 24.137 -6.345 1.00 23.05 H new ATOM 0 HD3 ARG A 42 23.889 23.834 -8.063 1.00 23.05 H new ATOM 0 HE ARG A 42 25.746 25.865 -8.015 1.00 52.33 H new ATOM 0 HH11 ARG A 42 25.447 22.769 -6.344 1.00 40.24 H new ATOM 0 HH12 ARG A 42 27.194 22.537 -6.219 1.00 40.24 H new ATOM 0 HH21 ARG A 42 27.988 25.560 -7.850 1.00 0.50 H new ATOM 0 HH22 ARG A 42 28.627 24.110 -7.067 1.00 0.50 H new ATOM 674 N GLN A 43 18.849 24.810 -6.287 1.00 73.43 N ATOM 675 CA GLN A 43 17.408 24.982 -6.433 1.00 2.31 C ATOM 676 C GLN A 43 16.695 24.751 -5.105 1.00 22.33 C ATOM 677 O GLN A 43 17.226 24.093 -4.209 1.00 54.02 O ATOM 678 CB GLN A 43 16.863 24.023 -7.492 1.00 72.11 C ATOM 679 CG GLN A 43 16.470 22.663 -6.937 1.00 13.40 C ATOM 680 CD GLN A 43 15.058 22.645 -6.383 1.00 65.14 C ATOM 681 OE1 GLN A 43 14.256 23.535 -6.667 1.00 4.21 O ATOM 682 NE2 GLN A 43 14.747 21.628 -5.589 1.00 23.42 N ATOM 0 H GLN A 43 19.165 23.841 -6.329 1.00 73.43 H new ATOM 0 HA GLN A 43 17.220 26.007 -6.751 1.00 2.31 H new ATOM 0 HB2 GLN A 43 15.994 24.477 -7.968 1.00 72.11 H new ATOM 0 HB3 GLN A 43 17.616 23.886 -8.268 1.00 72.11 H new ATOM 0 HG2 GLN A 43 16.557 21.914 -7.724 1.00 13.40 H new ATOM 0 HG3 GLN A 43 17.169 22.380 -6.150 1.00 13.40 H new ATOM 0 HE21 GLN A 43 15.443 20.912 -5.380 1.00 23.42 H new ATOM 0 HE22 GLN A 43 13.812 21.562 -5.187 1.00 23.42 H new ATOM 691 N LYS A 44 15.490 25.296 -4.983 1.00 75.23 N ATOM 692 CA LYS A 44 14.702 25.149 -3.765 1.00 70.31 C ATOM 693 C LYS A 44 13.293 24.658 -4.084 1.00 25.53 C ATOM 694 O LYS A 44 12.694 25.063 -5.081 1.00 2.14 O ATOM 695 CB LYS A 44 14.632 26.481 -3.015 1.00 35.32 C ATOM 696 CG LYS A 44 13.550 27.413 -3.532 1.00 10.43 C ATOM 697 CD LYS A 44 13.805 27.819 -4.974 1.00 25.43 C ATOM 698 CE LYS A 44 13.466 29.282 -5.210 1.00 3.42 C ATOM 699 NZ LYS A 44 14.646 30.055 -5.688 1.00 2.01 N ATOM 0 H LYS A 44 15.037 25.844 -5.714 1.00 75.23 H new ATOM 0 HA LYS A 44 15.191 24.408 -3.133 1.00 70.31 H new ATOM 0 HB2 LYS A 44 14.456 26.284 -1.957 1.00 35.32 H new ATOM 0 HB3 LYS A 44 15.597 26.982 -3.089 1.00 35.32 H new ATOM 0 HG2 LYS A 44 12.580 26.922 -3.458 1.00 10.43 H new ATOM 0 HG3 LYS A 44 13.506 28.303 -2.905 1.00 10.43 H new ATOM 0 HD2 LYS A 44 14.851 27.642 -5.223 1.00 25.43 H new ATOM 0 HD3 LYS A 44 13.209 27.195 -5.640 1.00 25.43 H new ATOM 0 HE2 LYS A 44 12.663 29.355 -5.943 1.00 3.42 H new ATOM 0 HE3 LYS A 44 13.094 29.722 -4.285 1.00 3.42 H new ATOM 0 HZ1 LYS A 44 14.374 31.048 -5.837 1.00 2.01 H new ATOM 0 HZ2 LYS A 44 15.404 30.007 -4.977 1.00 2.01 H new ATOM 0 HZ3 LYS A 44 14.986 29.651 -6.584 1.00 2.01 H new ATOM 713 N LEU A 45 12.770 23.784 -3.231 1.00 74.12 N ATOM 714 CA LEU A 45 11.430 23.238 -3.421 1.00 50.51 C ATOM 715 C LEU A 45 10.371 24.324 -3.253 1.00 23.54 C ATOM 716 O LEU A 45 10.425 25.118 -2.313 1.00 22.02 O ATOM 717 CB LEU A 45 11.175 22.103 -2.429 1.00 31.42 C ATOM 718 CG LEU A 45 11.883 20.780 -2.726 1.00 2.34 C ATOM 719 CD1 LEU A 45 11.574 20.315 -4.140 1.00 71.10 C ATOM 720 CD2 LEU A 45 13.385 20.923 -2.526 1.00 11.14 C ATOM 0 H LEU A 45 13.253 23.438 -2.402 1.00 74.12 H new ATOM 0 HA LEU A 45 11.364 22.846 -4.436 1.00 50.51 H new ATOM 0 HB2 LEU A 45 11.478 22.439 -1.437 1.00 31.42 H new ATOM 0 HB3 LEU A 45 10.102 21.917 -2.389 1.00 31.42 H new ATOM 0 HG LEU A 45 11.513 20.028 -2.029 1.00 2.34 H new ATOM 0 HD11 LEU A 45 12.086 19.372 -4.333 1.00 71.10 H new ATOM 0 HD12 LEU A 45 10.499 20.173 -4.249 1.00 71.10 H new ATOM 0 HD13 LEU A 45 11.915 21.066 -4.853 1.00 71.10 H new ATOM 0 HD21 LEU A 45 13.873 19.972 -2.742 1.00 11.14 H new ATOM 0 HD22 LEU A 45 13.770 21.689 -3.199 1.00 11.14 H new ATOM 0 HD23 LEU A 45 13.589 21.210 -1.494 1.00 11.14 H new ATOM 732 N LEU A 46 9.408 24.350 -4.167 1.00 43.32 N ATOM 733 CA LEU A 46 8.335 25.337 -4.119 1.00 75.41 C ATOM 734 C LEU A 46 7.316 24.981 -3.041 1.00 23.24 C ATOM 735 O LEU A 46 7.289 25.591 -1.973 1.00 14.40 O ATOM 736 CB LEU A 46 7.641 25.432 -5.479 1.00 65.24 C ATOM 737 CG LEU A 46 8.379 26.232 -6.554 1.00 14.23 C ATOM 738 CD1 LEU A 46 8.672 27.641 -6.062 1.00 50.24 C ATOM 739 CD2 LEU A 46 9.666 25.527 -6.955 1.00 73.43 C ATOM 0 H LEU A 46 9.348 23.699 -4.950 1.00 43.32 H new ATOM 0 HA LEU A 46 8.775 26.304 -3.874 1.00 75.41 H new ATOM 0 HB2 LEU A 46 7.479 24.421 -5.853 1.00 65.24 H new ATOM 0 HB3 LEU A 46 6.658 25.879 -5.332 1.00 65.24 H new ATOM 0 HG LEU A 46 7.738 26.301 -7.433 1.00 14.23 H new ATOM 0 HD11 LEU A 46 9.197 28.196 -6.839 1.00 50.24 H new ATOM 0 HD12 LEU A 46 7.735 28.146 -5.826 1.00 50.24 H new ATOM 0 HD13 LEU A 46 9.294 27.592 -5.168 1.00 50.24 H new ATOM 0 HD21 LEU A 46 10.177 26.111 -7.720 1.00 73.43 H new ATOM 0 HD22 LEU A 46 10.313 25.426 -6.083 1.00 73.43 H new ATOM 0 HD23 LEU A 46 9.432 24.538 -7.349 1.00 73.43 H new ATOM 751 N GLY A 47 6.481 23.986 -3.327 1.00 43.40 N ATOM 752 CA GLY A 47 5.474 23.565 -2.371 1.00 22.20 C ATOM 753 C GLY A 47 5.927 22.385 -1.534 1.00 61.11 C ATOM 754 O GLY A 47 5.301 21.324 -1.552 1.00 52.40 O ATOM 0 H GLY A 47 6.484 23.464 -4.204 1.00 43.40 H new ATOM 0 HA2 GLY A 47 5.229 24.400 -1.714 1.00 22.20 H new ATOM 0 HA3 GLY A 47 4.560 23.300 -2.903 1.00 22.20 H new ATOM 758 N LEU A 48 7.019 22.567 -0.800 1.00 11.14 N ATOM 759 CA LEU A 48 7.557 21.508 0.047 1.00 11.12 C ATOM 760 C LEU A 48 6.499 21.000 1.022 1.00 62.24 C ATOM 761 O LEU A 48 6.577 19.870 1.506 1.00 52.51 O ATOM 762 CB LEU A 48 8.776 22.015 0.819 1.00 2.22 C ATOM 763 CG LEU A 48 8.559 23.267 1.670 1.00 31.00 C ATOM 764 CD1 LEU A 48 8.136 22.887 3.081 1.00 70.25 C ATOM 765 CD2 LEU A 48 9.821 24.117 1.700 1.00 32.15 C ATOM 0 H LEU A 48 7.549 23.438 -0.774 1.00 11.14 H new ATOM 0 HA LEU A 48 7.860 20.681 -0.596 1.00 11.12 H new ATOM 0 HB2 LEU A 48 9.128 21.214 1.470 1.00 2.22 H new ATOM 0 HB3 LEU A 48 9.574 22.219 0.105 1.00 2.22 H new ATOM 0 HG LEU A 48 7.760 23.855 1.219 1.00 31.00 H new ATOM 0 HD11 LEU A 48 7.986 23.791 3.672 1.00 70.25 H new ATOM 0 HD12 LEU A 48 7.205 22.321 3.042 1.00 70.25 H new ATOM 0 HD13 LEU A 48 8.913 22.277 3.542 1.00 70.25 H new ATOM 0 HD21 LEU A 48 9.648 25.004 2.310 1.00 32.15 H new ATOM 0 HD22 LEU A 48 10.640 23.537 2.126 1.00 32.15 H new ATOM 0 HD23 LEU A 48 10.080 24.420 0.685 1.00 32.15 H new ATOM 777 N LYS A 49 5.509 21.840 1.304 1.00 45.23 N ATOM 778 CA LYS A 49 4.433 21.476 2.217 1.00 0.33 C ATOM 779 C LYS A 49 3.146 21.183 1.453 1.00 41.44 C ATOM 780 O LYS A 49 2.834 21.848 0.464 1.00 3.14 O ATOM 781 CB LYS A 49 4.193 22.599 3.229 1.00 44.31 C ATOM 782 CG LYS A 49 4.710 23.952 2.770 1.00 25.22 C ATOM 783 CD LYS A 49 4.302 25.059 3.728 1.00 65.23 C ATOM 784 CE LYS A 49 4.987 26.373 3.385 1.00 65.22 C ATOM 785 NZ LYS A 49 5.715 26.941 4.554 1.00 60.55 N ATOM 0 H LYS A 49 5.430 22.779 0.913 1.00 45.23 H new ATOM 0 HA LYS A 49 4.732 20.573 2.749 1.00 0.33 H new ATOM 0 HB2 LYS A 49 3.124 22.676 3.427 1.00 44.31 H new ATOM 0 HB3 LYS A 49 4.674 22.336 4.171 1.00 44.31 H new ATOM 0 HG2 LYS A 49 5.797 23.920 2.691 1.00 25.22 H new ATOM 0 HG3 LYS A 49 4.325 24.171 1.774 1.00 25.22 H new ATOM 0 HD2 LYS A 49 3.221 25.191 3.694 1.00 65.23 H new ATOM 0 HD3 LYS A 49 4.556 24.771 4.748 1.00 65.23 H new ATOM 0 HE2 LYS A 49 5.686 26.215 2.564 1.00 65.22 H new ATOM 0 HE3 LYS A 49 4.244 27.090 3.037 1.00 65.22 H new ATOM 0 HZ1 LYS A 49 6.168 27.836 4.279 1.00 60.55 H new ATOM 0 HZ2 LYS A 49 5.044 27.116 5.329 1.00 60.55 H new ATOM 0 HZ3 LYS A 49 6.442 26.268 4.871 1.00 60.55 H new ATOM 799 N VAL A 50 2.401 20.185 1.917 1.00 2.10 N ATOM 800 CA VAL A 50 1.146 19.806 1.278 1.00 5.23 C ATOM 801 C VAL A 50 0.112 19.375 2.312 1.00 61.33 C ATOM 802 O VAL A 50 0.448 18.758 3.323 1.00 70.00 O ATOM 803 CB VAL A 50 1.354 18.663 0.267 1.00 22.25 C ATOM 804 CG1 VAL A 50 0.080 18.413 -0.525 1.00 64.33 C ATOM 805 CG2 VAL A 50 2.517 18.978 -0.661 1.00 71.04 C ATOM 0 H VAL A 50 2.645 19.624 2.733 1.00 2.10 H new ATOM 0 HA VAL A 50 0.781 20.686 0.749 1.00 5.23 H new ATOM 0 HB VAL A 50 1.595 17.753 0.817 1.00 22.25 H new ATOM 0 HG11 VAL A 50 0.246 17.602 -1.234 1.00 64.33 H new ATOM 0 HG12 VAL A 50 -0.725 18.139 0.157 1.00 64.33 H new ATOM 0 HG13 VAL A 50 -0.195 19.318 -1.066 1.00 64.33 H new ATOM 0 HG21 VAL A 50 2.650 18.160 -1.369 1.00 71.04 H new ATOM 0 HG22 VAL A 50 2.309 19.899 -1.206 1.00 71.04 H new ATOM 0 HG23 VAL A 50 3.427 19.102 -0.074 1.00 71.04 H new ATOM 815 N LYS A 51 -1.149 19.703 2.051 1.00 21.50 N ATOM 816 CA LYS A 51 -2.235 19.348 2.957 1.00 70.01 C ATOM 817 C LYS A 51 -1.952 19.851 4.369 1.00 52.12 C ATOM 818 O LYS A 51 -2.336 19.219 5.352 1.00 54.31 O ATOM 819 CB LYS A 51 -2.437 17.831 2.975 1.00 5.04 C ATOM 820 CG LYS A 51 -2.843 17.255 1.630 1.00 63.10 C ATOM 821 CD LYS A 51 -4.105 17.914 1.100 1.00 71.45 C ATOM 822 CE LYS A 51 -5.056 16.891 0.496 1.00 42.21 C ATOM 823 NZ LYS A 51 -4.729 16.602 -0.928 1.00 4.32 N ATOM 0 H LYS A 51 -1.444 20.214 1.219 1.00 21.50 H new ATOM 0 HA LYS A 51 -3.146 19.825 2.596 1.00 70.01 H new ATOM 0 HB2 LYS A 51 -1.513 17.354 3.301 1.00 5.04 H new ATOM 0 HB3 LYS A 51 -3.201 17.583 3.712 1.00 5.04 H new ATOM 0 HG2 LYS A 51 -2.032 17.392 0.915 1.00 63.10 H new ATOM 0 HG3 LYS A 51 -3.005 16.181 1.727 1.00 63.10 H new ATOM 0 HD2 LYS A 51 -4.606 18.446 1.909 1.00 71.45 H new ATOM 0 HD3 LYS A 51 -3.841 18.656 0.347 1.00 71.45 H new ATOM 0 HE2 LYS A 51 -5.011 15.968 1.074 1.00 42.21 H new ATOM 0 HE3 LYS A 51 -6.079 17.261 0.566 1.00 42.21 H new ATOM 0 HZ1 LYS A 51 -5.608 16.548 -1.482 1.00 4.32 H new ATOM 0 HZ2 LYS A 51 -4.127 17.361 -1.307 1.00 4.32 H new ATOM 0 HZ3 LYS A 51 -4.224 15.695 -0.991 1.00 4.32 H new ATOM 837 N GLY A 52 -1.279 20.994 4.461 1.00 24.24 N ATOM 838 CA GLY A 52 -0.957 21.563 5.757 1.00 34.32 C ATOM 839 C GLY A 52 0.311 20.979 6.348 1.00 14.23 C ATOM 840 O GLY A 52 0.872 21.527 7.298 1.00 74.13 O ATOM 0 H GLY A 52 -0.951 21.536 3.662 1.00 24.24 H new ATOM 0 HA2 GLY A 52 -0.844 22.643 5.658 1.00 34.32 H new ATOM 0 HA3 GLY A 52 -1.787 21.390 6.442 1.00 34.32 H new ATOM 844 N LYS A 53 0.764 19.863 5.788 1.00 51.25 N ATOM 845 CA LYS A 53 1.974 19.203 6.264 1.00 15.43 C ATOM 846 C LYS A 53 3.219 19.869 5.688 1.00 24.14 C ATOM 847 O LYS A 53 3.210 20.404 4.579 1.00 24.44 O ATOM 848 CB LYS A 53 1.953 17.721 5.886 1.00 64.30 C ATOM 849 CG LYS A 53 0.930 16.909 6.661 1.00 22.04 C ATOM 850 CD LYS A 53 1.215 16.933 8.154 1.00 73.52 C ATOM 851 CE LYS A 53 1.202 15.531 8.746 1.00 44.52 C ATOM 852 NZ LYS A 53 2.252 15.361 9.788 1.00 31.53 N ATOM 0 H LYS A 53 0.311 19.396 5.003 1.00 51.25 H new ATOM 0 HA LYS A 53 2.005 19.294 7.350 1.00 15.43 H new ATOM 0 HB2 LYS A 53 1.745 17.630 4.820 1.00 64.30 H new ATOM 0 HB3 LYS A 53 2.943 17.298 6.055 1.00 64.30 H new ATOM 0 HG2 LYS A 53 -0.068 17.305 6.474 1.00 22.04 H new ATOM 0 HG3 LYS A 53 0.936 15.879 6.305 1.00 22.04 H new ATOM 0 HD2 LYS A 53 2.185 17.396 8.333 1.00 73.52 H new ATOM 0 HD3 LYS A 53 0.470 17.549 8.658 1.00 73.52 H new ATOM 0 HE2 LYS A 53 0.223 15.329 9.180 1.00 44.52 H new ATOM 0 HE3 LYS A 53 1.356 14.800 7.952 1.00 44.52 H new ATOM 0 HZ1 LYS A 53 2.211 14.393 10.167 1.00 31.53 H new ATOM 0 HZ2 LYS A 53 3.188 15.529 9.368 1.00 31.53 H new ATOM 0 HZ3 LYS A 53 2.091 16.042 10.558 1.00 31.53 H new ATOM 866 N PRO A 54 4.318 19.836 6.457 1.00 21.40 N ATOM 867 CA PRO A 54 5.593 20.429 6.042 1.00 14.33 C ATOM 868 C PRO A 54 6.248 19.658 4.902 1.00 72.40 C ATOM 869 O PRO A 54 6.877 20.246 4.023 1.00 73.32 O ATOM 870 CB PRO A 54 6.451 20.346 7.307 1.00 70.01 C ATOM 871 CG PRO A 54 5.876 19.210 8.081 1.00 63.14 C ATOM 872 CD PRO A 54 4.401 19.215 7.790 1.00 51.30 C ATOM 0 HA PRO A 54 5.466 21.443 5.662 1.00 14.33 H new ATOM 0 HB2 PRO A 54 7.499 20.169 7.064 1.00 70.01 H new ATOM 0 HB3 PRO A 54 6.408 21.275 7.876 1.00 70.01 H new ATOM 0 HG2 PRO A 54 6.329 18.265 7.782 1.00 63.14 H new ATOM 0 HG3 PRO A 54 6.064 19.330 9.148 1.00 63.14 H new ATOM 0 HD2 PRO A 54 3.988 18.206 7.790 1.00 51.30 H new ATOM 0 HD3 PRO A 54 3.846 19.786 8.535 1.00 51.30 H new ATOM 880 N ALA A 55 6.096 18.337 4.923 1.00 54.51 N ATOM 881 CA ALA A 55 6.671 17.486 3.889 1.00 34.21 C ATOM 882 C ALA A 55 8.049 17.986 3.470 1.00 73.25 C ATOM 883 O ALA A 55 8.389 17.976 2.287 1.00 74.30 O ATOM 884 CB ALA A 55 5.743 17.418 2.685 1.00 33.42 C ATOM 0 H ALA A 55 5.580 17.834 5.645 1.00 54.51 H new ATOM 0 HA ALA A 55 6.787 16.484 4.301 1.00 34.21 H new ATOM 0 HB1 ALA A 55 6.185 16.779 1.921 1.00 33.42 H new ATOM 0 HB2 ALA A 55 4.781 17.006 2.990 1.00 33.42 H new ATOM 0 HB3 ALA A 55 5.597 18.420 2.281 1.00 33.42 H new ATOM 890 N GLU A 56 8.837 18.423 4.446 1.00 2.24 N ATOM 891 CA GLU A 56 10.178 18.929 4.176 1.00 21.34 C ATOM 892 C GLU A 56 11.087 17.815 3.665 1.00 74.44 C ATOM 893 O GLU A 56 11.389 17.743 2.474 1.00 14.41 O ATOM 894 CB GLU A 56 10.777 19.550 5.440 1.00 51.11 C ATOM 895 CG GLU A 56 12.199 20.052 5.256 1.00 42.10 C ATOM 896 CD GLU A 56 12.312 21.556 5.411 1.00 54.31 C ATOM 897 OE1 GLU A 56 12.052 22.060 6.524 1.00 61.23 O ATOM 898 OE2 GLU A 56 12.660 22.230 4.418 1.00 33.14 O ATOM 0 H GLU A 56 8.571 18.437 5.431 1.00 2.24 H new ATOM 0 HA GLU A 56 10.101 19.695 3.404 1.00 21.34 H new ATOM 0 HB2 GLU A 56 10.147 20.379 5.761 1.00 51.11 H new ATOM 0 HB3 GLU A 56 10.763 18.810 6.240 1.00 51.11 H new ATOM 0 HG2 GLU A 56 12.849 19.566 5.984 1.00 42.10 H new ATOM 0 HG3 GLU A 56 12.557 19.765 4.267 1.00 42.10 H new ATOM 905 N ASN A 57 11.519 16.947 4.574 1.00 43.21 N ATOM 906 CA ASN A 57 12.394 15.837 4.216 1.00 64.14 C ATOM 907 C ASN A 57 12.280 14.704 5.232 1.00 42.45 C ATOM 908 O ASN A 57 12.314 13.528 4.871 1.00 23.32 O ATOM 909 CB ASN A 57 13.846 16.313 4.126 1.00 31.44 C ATOM 910 CG ASN A 57 14.140 17.454 5.080 1.00 12.33 C ATOM 911 OD1 ASN A 57 13.791 17.398 6.260 1.00 63.13 O ATOM 912 ND2 ASN A 57 14.784 18.498 4.572 1.00 2.43 N ATOM 0 H ASN A 57 11.277 16.991 5.564 1.00 43.21 H new ATOM 0 HA ASN A 57 12.081 15.460 3.242 1.00 64.14 H new ATOM 0 HB2 ASN A 57 14.513 15.479 4.345 1.00 31.44 H new ATOM 0 HB3 ASN A 57 14.058 16.632 3.106 1.00 31.44 H new ATOM 0 HD21 ASN A 57 15.009 19.297 5.165 1.00 2.43 H new ATOM 0 HD22 ASN A 57 15.054 18.501 3.588 1.00 2.43 H new ATOM 919 N ASP A 58 12.144 15.068 6.502 1.00 51.32 N ATOM 920 CA ASP A 58 12.023 14.083 7.571 1.00 53.55 C ATOM 921 C ASP A 58 10.639 13.441 7.563 1.00 61.21 C ATOM 922 O ASP A 58 10.344 12.567 8.379 1.00 43.51 O ATOM 923 CB ASP A 58 12.288 14.737 8.928 1.00 74.03 C ATOM 924 CG ASP A 58 13.768 14.868 9.228 1.00 52.30 C ATOM 925 OD1 ASP A 58 14.577 14.762 8.282 1.00 1.35 O ATOM 926 OD2 ASP A 58 14.117 15.078 10.408 1.00 20.13 O ATOM 0 H ASP A 58 12.115 16.038 6.817 1.00 51.32 H new ATOM 0 HA ASP A 58 12.766 13.304 7.401 1.00 53.55 H new ATOM 0 HB2 ASP A 58 11.827 15.725 8.948 1.00 74.03 H new ATOM 0 HB3 ASP A 58 11.812 14.147 9.711 1.00 74.03 H new ATOM 931 N VAL A 59 9.793 13.880 6.636 1.00 23.02 N ATOM 932 CA VAL A 59 8.441 13.348 6.522 1.00 34.11 C ATOM 933 C VAL A 59 8.385 12.198 5.523 1.00 51.14 C ATOM 934 O VAL A 59 9.129 12.176 4.542 1.00 52.42 O ATOM 935 CB VAL A 59 7.443 14.439 6.089 1.00 21.32 C ATOM 936 CG1 VAL A 59 6.071 14.176 6.690 1.00 13.43 C ATOM 937 CG2 VAL A 59 7.954 15.815 6.487 1.00 40.33 C ATOM 0 H VAL A 59 10.021 14.603 5.953 1.00 23.02 H new ATOM 0 HA VAL A 59 8.161 12.981 7.510 1.00 34.11 H new ATOM 0 HB VAL A 59 7.349 14.412 5.003 1.00 21.32 H new ATOM 0 HG11 VAL A 59 5.379 14.957 6.373 1.00 13.43 H new ATOM 0 HG12 VAL A 59 5.705 13.207 6.351 1.00 13.43 H new ATOM 0 HG13 VAL A 59 6.144 14.175 7.778 1.00 13.43 H new ATOM 0 HG21 VAL A 59 7.237 16.574 6.174 1.00 40.33 H new ATOM 0 HG22 VAL A 59 8.078 15.858 7.569 1.00 40.33 H new ATOM 0 HG23 VAL A 59 8.913 16.001 6.004 1.00 40.33 H new ATOM 947 N LYS A 60 7.497 11.243 5.777 1.00 23.32 N ATOM 948 CA LYS A 60 7.341 10.089 4.900 1.00 65.25 C ATOM 949 C LYS A 60 6.314 10.371 3.808 1.00 63.53 C ATOM 950 O LYS A 60 5.336 11.085 4.031 1.00 43.43 O ATOM 951 CB LYS A 60 6.918 8.860 5.708 1.00 1.52 C ATOM 952 CG LYS A 60 8.022 8.303 6.590 1.00 13.03 C ATOM 953 CD LYS A 60 7.881 6.802 6.778 1.00 34.24 C ATOM 954 CE LYS A 60 8.102 6.399 8.228 1.00 32.52 C ATOM 955 NZ LYS A 60 6.818 6.110 8.926 1.00 61.44 N ATOM 0 H LYS A 60 6.874 11.246 6.584 1.00 23.32 H new ATOM 0 HA LYS A 60 8.303 9.891 4.428 1.00 65.25 H new ATOM 0 HB2 LYS A 60 6.063 9.122 6.332 1.00 1.52 H new ATOM 0 HB3 LYS A 60 6.585 8.081 5.022 1.00 1.52 H new ATOM 0 HG2 LYS A 60 8.992 8.525 6.145 1.00 13.03 H new ATOM 0 HG3 LYS A 60 7.997 8.796 7.562 1.00 13.03 H new ATOM 0 HD2 LYS A 60 6.888 6.486 6.459 1.00 34.24 H new ATOM 0 HD3 LYS A 60 8.600 6.285 6.142 1.00 34.24 H new ATOM 0 HE2 LYS A 60 8.742 5.518 8.266 1.00 32.52 H new ATOM 0 HE3 LYS A 60 8.628 7.198 8.751 1.00 32.52 H new ATOM 0 HZ1 LYS A 60 7.012 5.839 9.911 1.00 61.44 H new ATOM 0 HZ2 LYS A 60 6.217 6.958 8.912 1.00 61.44 H new ATOM 0 HZ3 LYS A 60 6.328 5.330 8.443 1.00 61.44 H new ATOM 969 N LEU A 61 6.541 9.804 2.628 1.00 62.31 N ATOM 970 CA LEU A 61 5.634 9.993 1.501 1.00 21.31 C ATOM 971 C LEU A 61 4.198 9.662 1.897 1.00 44.55 C ATOM 972 O LEU A 61 3.258 10.334 1.475 1.00 14.14 O ATOM 973 CB LEU A 61 6.065 9.118 0.322 1.00 15.13 C ATOM 974 CG LEU A 61 7.564 9.080 0.027 1.00 24.34 C ATOM 975 CD1 LEU A 61 7.860 8.117 -1.112 1.00 20.42 C ATOM 976 CD2 LEU A 61 8.079 10.473 -0.303 1.00 11.23 C ATOM 0 H LEU A 61 7.345 9.210 2.427 1.00 62.31 H new ATOM 0 HA LEU A 61 5.677 11.041 1.203 1.00 21.31 H new ATOM 0 HB2 LEU A 61 5.726 8.099 0.509 1.00 15.13 H new ATOM 0 HB3 LEU A 61 5.548 9.467 -0.572 1.00 15.13 H new ATOM 0 HG LEU A 61 8.081 8.726 0.919 1.00 24.34 H new ATOM 0 HD11 LEU A 61 8.932 8.103 -1.308 1.00 20.42 H new ATOM 0 HD12 LEU A 61 7.529 7.116 -0.837 1.00 20.42 H new ATOM 0 HD13 LEU A 61 7.332 8.441 -2.009 1.00 20.42 H new ATOM 0 HD21 LEU A 61 9.148 10.426 -0.510 1.00 11.23 H new ATOM 0 HD22 LEU A 61 7.556 10.856 -1.179 1.00 11.23 H new ATOM 0 HD23 LEU A 61 7.902 11.136 0.544 1.00 11.23 H new ATOM 988 N GLY A 62 4.038 8.624 2.711 1.00 61.41 N ATOM 989 CA GLY A 62 2.715 8.224 3.151 1.00 35.35 C ATOM 990 C GLY A 62 2.157 9.143 4.220 1.00 53.12 C ATOM 991 O GLY A 62 0.953 9.148 4.478 1.00 65.42 O ATOM 0 H GLY A 62 4.801 8.053 3.074 1.00 61.41 H new ATOM 0 HA2 GLY A 62 2.039 8.214 2.296 1.00 35.35 H new ATOM 0 HA3 GLY A 62 2.756 7.206 3.537 1.00 35.35 H new ATOM 995 N ALA A 63 3.033 9.923 4.844 1.00 64.11 N ATOM 996 CA ALA A 63 2.622 10.851 5.890 1.00 74.31 C ATOM 997 C ALA A 63 2.128 12.165 5.295 1.00 74.13 C ATOM 998 O ALA A 63 1.416 12.927 5.951 1.00 62.11 O ATOM 999 CB ALA A 63 3.772 11.105 6.853 1.00 32.40 C ATOM 0 H ALA A 63 4.033 9.931 4.643 1.00 64.11 H new ATOM 0 HA ALA A 63 1.797 10.398 6.439 1.00 74.31 H new ATOM 0 HB1 ALA A 63 3.450 11.800 7.629 1.00 32.40 H new ATOM 0 HB2 ALA A 63 4.077 10.164 7.312 1.00 32.40 H new ATOM 0 HB3 ALA A 63 4.614 11.533 6.309 1.00 32.40 H new ATOM 1005 N LEU A 64 2.509 12.425 4.049 1.00 2.22 N ATOM 1006 CA LEU A 64 2.105 13.649 3.365 1.00 22.22 C ATOM 1007 C LEU A 64 0.728 13.488 2.729 1.00 22.13 C ATOM 1008 O LEU A 64 0.054 14.472 2.424 1.00 2.01 O ATOM 1009 CB LEU A 64 3.133 14.021 2.295 1.00 2.54 C ATOM 1010 CG LEU A 64 4.535 13.440 2.480 1.00 21.31 C ATOM 1011 CD1 LEU A 64 5.426 13.810 1.304 1.00 11.25 C ATOM 1012 CD2 LEU A 64 5.145 13.924 3.787 1.00 25.34 C ATOM 0 H LEU A 64 3.097 11.805 3.492 1.00 2.22 H new ATOM 0 HA LEU A 64 2.052 14.449 4.104 1.00 22.22 H new ATOM 0 HB2 LEU A 64 2.752 13.698 1.326 1.00 2.54 H new ATOM 0 HB3 LEU A 64 3.214 15.107 2.259 1.00 2.54 H new ATOM 0 HG LEU A 64 4.455 12.354 2.520 1.00 21.31 H new ATOM 0 HD11 LEU A 64 6.420 13.388 1.453 1.00 11.25 H new ATOM 0 HD12 LEU A 64 4.998 13.413 0.384 1.00 11.25 H new ATOM 0 HD13 LEU A 64 5.500 14.895 1.231 1.00 11.25 H new ATOM 0 HD21 LEU A 64 6.143 13.500 3.902 1.00 25.34 H new ATOM 0 HD22 LEU A 64 5.212 15.012 3.777 1.00 25.34 H new ATOM 0 HD23 LEU A 64 4.518 13.607 4.620 1.00 25.34 H new ATOM 1024 N LYS A 65 0.315 12.240 2.534 1.00 55.41 N ATOM 1025 CA LYS A 65 -0.984 11.949 1.938 1.00 62.21 C ATOM 1026 C LYS A 65 -1.140 12.662 0.599 1.00 53.32 C ATOM 1027 O LYS A 65 -2.201 13.210 0.296 1.00 73.13 O ATOM 1028 CB LYS A 65 -2.109 12.369 2.886 1.00 32.31 C ATOM 1029 CG LYS A 65 -1.921 11.875 4.310 1.00 23.01 C ATOM 1030 CD LYS A 65 -1.914 10.357 4.378 1.00 55.02 C ATOM 1031 CE LYS A 65 -1.730 9.863 5.805 1.00 53.53 C ATOM 1032 NZ LYS A 65 -2.983 9.988 6.601 1.00 43.14 N ATOM 0 H LYS A 65 0.861 11.414 2.780 1.00 55.41 H new ATOM 0 HA LYS A 65 -1.045 10.874 1.767 1.00 62.21 H new ATOM 0 HB2 LYS A 65 -2.179 13.457 2.894 1.00 32.31 H new ATOM 0 HB3 LYS A 65 -3.057 11.992 2.502 1.00 32.31 H new ATOM 0 HG2 LYS A 65 -0.984 12.262 4.709 1.00 23.01 H new ATOM 0 HG3 LYS A 65 -2.721 12.265 4.940 1.00 23.01 H new ATOM 0 HD2 LYS A 65 -2.850 9.970 3.976 1.00 55.02 H new ATOM 0 HD3 LYS A 65 -1.112 9.967 3.751 1.00 55.02 H new ATOM 0 HE2 LYS A 65 -1.411 8.821 5.790 1.00 53.53 H new ATOM 0 HE3 LYS A 65 -0.935 10.432 6.287 1.00 53.53 H new ATOM 0 HZ1 LYS A 65 -2.817 9.641 7.567 1.00 43.14 H new ATOM 0 HZ2 LYS A 65 -3.274 10.986 6.637 1.00 43.14 H new ATOM 0 HZ3 LYS A 65 -3.735 9.424 6.156 1.00 43.14 H new ATOM 1046 N LEU A 66 -0.079 12.651 -0.200 1.00 2.32 N ATOM 1047 CA LEU A 66 -0.099 13.296 -1.508 1.00 42.31 C ATOM 1048 C LEU A 66 -0.500 12.306 -2.597 1.00 45.31 C ATOM 1049 O LEU A 66 -0.267 11.103 -2.474 1.00 54.41 O ATOM 1050 CB LEU A 66 1.273 13.893 -1.825 1.00 43.24 C ATOM 1051 CG LEU A 66 1.375 15.417 -1.755 1.00 11.35 C ATOM 1052 CD1 LEU A 66 2.780 15.876 -2.112 1.00 61.23 C ATOM 1053 CD2 LEU A 66 0.350 16.064 -2.676 1.00 23.55 C ATOM 0 H LEU A 66 0.806 12.202 0.035 1.00 2.32 H new ATOM 0 HA LEU A 66 -0.839 14.096 -1.480 1.00 42.31 H new ATOM 0 HB2 LEU A 66 2.000 13.468 -1.133 1.00 43.24 H new ATOM 0 HB3 LEU A 66 1.562 13.575 -2.827 1.00 43.24 H new ATOM 0 HG LEU A 66 1.163 15.729 -0.732 1.00 11.35 H new ATOM 0 HD11 LEU A 66 2.833 16.963 -2.057 1.00 61.23 H new ATOM 0 HD12 LEU A 66 3.494 15.442 -1.412 1.00 61.23 H new ATOM 0 HD13 LEU A 66 3.022 15.552 -3.124 1.00 61.23 H new ATOM 0 HD21 LEU A 66 0.438 17.149 -2.613 1.00 23.55 H new ATOM 0 HD22 LEU A 66 0.530 15.745 -3.702 1.00 23.55 H new ATOM 0 HD23 LEU A 66 -0.653 15.763 -2.373 1.00 23.55 H new ATOM 1065 N LYS A 67 -1.101 12.820 -3.665 1.00 1.44 N ATOM 1066 CA LYS A 67 -1.531 11.983 -4.778 1.00 52.42 C ATOM 1067 C LYS A 67 -0.330 11.419 -5.531 1.00 13.42 C ATOM 1068 O LYS A 67 0.785 11.933 -5.443 1.00 0.42 O ATOM 1069 CB LYS A 67 -2.415 12.787 -5.735 1.00 61.32 C ATOM 1070 CG LYS A 67 -3.902 12.609 -5.483 1.00 52.44 C ATOM 1071 CD LYS A 67 -4.423 13.625 -4.480 1.00 21.30 C ATOM 1072 CE LYS A 67 -5.865 13.336 -4.092 1.00 51.02 C ATOM 1073 NZ LYS A 67 -6.126 13.643 -2.659 1.00 11.14 N ATOM 0 H LYS A 67 -1.301 13.813 -3.783 1.00 1.44 H new ATOM 0 HA LYS A 67 -2.107 11.151 -4.373 1.00 52.42 H new ATOM 0 HB2 LYS A 67 -2.164 13.844 -5.647 1.00 61.32 H new ATOM 0 HB3 LYS A 67 -2.190 12.490 -6.760 1.00 61.32 H new ATOM 0 HG2 LYS A 67 -4.446 12.711 -6.422 1.00 52.44 H new ATOM 0 HG3 LYS A 67 -4.091 11.601 -5.113 1.00 52.44 H new ATOM 0 HD2 LYS A 67 -3.796 13.613 -3.589 1.00 21.30 H new ATOM 0 HD3 LYS A 67 -4.353 14.626 -4.905 1.00 21.30 H new ATOM 0 HE2 LYS A 67 -6.535 13.926 -4.718 1.00 51.02 H new ATOM 0 HE3 LYS A 67 -6.090 12.287 -4.285 1.00 51.02 H new ATOM 0 HZ1 LYS A 67 -7.119 13.433 -2.434 1.00 11.14 H new ATOM 0 HZ2 LYS A 67 -5.505 13.062 -2.061 1.00 11.14 H new ATOM 0 HZ3 LYS A 67 -5.936 14.650 -2.479 1.00 11.14 H new ATOM 1087 N PRO A 68 -0.561 10.338 -6.290 1.00 52.23 N ATOM 1088 CA PRO A 68 0.490 9.683 -7.075 1.00 35.34 C ATOM 1089 C PRO A 68 0.949 10.534 -8.254 1.00 21.35 C ATOM 1090 O PRO A 68 2.133 10.563 -8.586 1.00 23.24 O ATOM 1091 CB PRO A 68 -0.185 8.402 -7.571 1.00 33.52 C ATOM 1092 CG PRO A 68 -1.640 8.720 -7.584 1.00 14.41 C ATOM 1093 CD PRO A 68 -1.866 9.673 -6.442 1.00 61.42 C ATOM 0 HA PRO A 68 1.389 9.507 -6.485 1.00 35.34 H new ATOM 0 HB2 PRO A 68 0.169 8.128 -8.565 1.00 33.52 H new ATOM 0 HB3 PRO A 68 0.030 7.561 -6.912 1.00 33.52 H new ATOM 0 HG2 PRO A 68 -1.932 9.171 -8.532 1.00 14.41 H new ATOM 0 HG3 PRO A 68 -2.238 7.817 -7.463 1.00 14.41 H new ATOM 0 HD2 PRO A 68 -2.658 10.388 -6.666 1.00 61.42 H new ATOM 0 HD3 PRO A 68 -2.158 9.148 -5.532 1.00 61.42 H new ATOM 1101 N ASN A 69 0.004 11.226 -8.882 1.00 22.40 N ATOM 1102 CA ASN A 69 0.313 12.078 -10.025 1.00 30.44 C ATOM 1103 C ASN A 69 0.911 13.405 -9.568 1.00 22.43 C ATOM 1104 O ASN A 69 1.504 14.137 -10.360 1.00 41.53 O ATOM 1105 CB ASN A 69 -0.948 12.332 -10.853 1.00 0.10 C ATOM 1106 CG ASN A 69 -1.687 11.051 -11.190 1.00 44.30 C ATOM 1107 OD1 ASN A 69 -1.100 10.101 -11.708 1.00 23.14 O ATOM 1108 ND2 ASN A 69 -2.982 11.021 -10.897 1.00 64.33 N ATOM 0 H ASN A 69 -0.981 11.214 -8.619 1.00 22.40 H new ATOM 0 HA ASN A 69 1.048 11.563 -10.643 1.00 30.44 H new ATOM 0 HB2 ASN A 69 -1.613 12.998 -10.302 1.00 0.10 H new ATOM 0 HB3 ASN A 69 -0.676 12.845 -11.776 1.00 0.10 H new ATOM 0 HD21 ASN A 69 -3.532 10.186 -11.101 1.00 64.33 H new ATOM 0 HD22 ASN A 69 -3.427 11.832 -10.468 1.00 64.33 H new ATOM 1115 N THR A 70 0.752 13.708 -8.283 1.00 44.21 N ATOM 1116 CA THR A 70 1.276 14.946 -7.720 1.00 53.40 C ATOM 1117 C THR A 70 2.548 15.382 -8.437 1.00 63.12 C ATOM 1118 O THR A 70 3.480 14.595 -8.604 1.00 23.34 O ATOM 1119 CB THR A 70 1.573 14.798 -6.216 1.00 32.01 C ATOM 1120 OG1 THR A 70 0.360 14.538 -5.500 1.00 50.32 O ATOM 1121 CG2 THR A 70 2.232 16.055 -5.668 1.00 33.21 C ATOM 0 H THR A 70 0.265 13.113 -7.613 1.00 44.21 H new ATOM 0 HA THR A 70 0.506 15.706 -7.858 1.00 53.40 H new ATOM 0 HB THR A 70 2.258 13.961 -6.084 1.00 32.01 H new ATOM 0 HG1 THR A 70 -0.264 15.282 -5.632 1.00 50.32 H new ATOM 0 HG21 THR A 70 2.432 15.927 -4.604 1.00 33.21 H new ATOM 0 HG22 THR A 70 3.169 16.233 -6.195 1.00 33.21 H new ATOM 0 HG23 THR A 70 1.567 16.907 -5.812 1.00 33.21 H new ATOM 1129 N LYS A 71 2.582 16.641 -8.860 1.00 61.03 N ATOM 1130 CA LYS A 71 3.742 17.183 -9.558 1.00 53.24 C ATOM 1131 C LYS A 71 4.628 17.978 -8.605 1.00 42.11 C ATOM 1132 O LYS A 71 4.136 18.628 -7.682 1.00 44.11 O ATOM 1133 CB LYS A 71 3.293 18.075 -10.718 1.00 43.32 C ATOM 1134 CG LYS A 71 2.162 17.482 -11.540 1.00 21.11 C ATOM 1135 CD LYS A 71 0.854 18.216 -11.300 1.00 13.22 C ATOM 1136 CE LYS A 71 0.458 19.058 -12.503 1.00 41.22 C ATOM 1137 NZ LYS A 71 -1.013 19.278 -12.567 1.00 35.31 N ATOM 0 H LYS A 71 1.819 17.306 -8.732 1.00 61.03 H new ATOM 0 HA LYS A 71 4.321 16.348 -9.952 1.00 53.24 H new ATOM 0 HB2 LYS A 71 2.976 19.039 -10.322 1.00 43.32 H new ATOM 0 HB3 LYS A 71 4.145 18.264 -11.371 1.00 43.32 H new ATOM 0 HG2 LYS A 71 2.417 17.528 -12.599 1.00 21.11 H new ATOM 0 HG3 LYS A 71 2.041 16.429 -11.287 1.00 21.11 H new ATOM 0 HD2 LYS A 71 0.066 17.495 -11.084 1.00 13.22 H new ATOM 0 HD3 LYS A 71 0.950 18.856 -10.423 1.00 13.22 H new ATOM 0 HE2 LYS A 71 0.967 20.021 -12.456 1.00 41.22 H new ATOM 0 HE3 LYS A 71 0.791 18.565 -13.416 1.00 41.22 H new ATOM 0 HZ1 LYS A 71 -1.242 19.856 -13.401 1.00 35.31 H new ATOM 0 HZ2 LYS A 71 -1.498 18.361 -12.638 1.00 35.31 H new ATOM 0 HZ3 LYS A 71 -1.328 19.771 -11.707 1.00 35.31 H new ATOM 1151 N ILE A 72 5.936 17.923 -8.835 1.00 74.52 N ATOM 1152 CA ILE A 72 6.889 18.640 -7.998 1.00 63.40 C ATOM 1153 C ILE A 72 7.619 19.716 -8.794 1.00 41.13 C ATOM 1154 O ILE A 72 8.167 19.448 -9.863 1.00 74.41 O ATOM 1155 CB ILE A 72 7.926 17.683 -7.379 1.00 52.23 C ATOM 1156 CG1 ILE A 72 7.225 16.593 -6.566 1.00 54.21 C ATOM 1157 CG2 ILE A 72 8.905 18.455 -6.507 1.00 54.23 C ATOM 1158 CD1 ILE A 72 6.341 17.135 -5.465 1.00 11.24 C ATOM 0 H ILE A 72 6.359 17.389 -9.594 1.00 74.52 H new ATOM 0 HA ILE A 72 6.316 19.109 -7.198 1.00 63.40 H new ATOM 0 HB ILE A 72 8.485 17.206 -8.184 1.00 52.23 H new ATOM 0 HG12 ILE A 72 6.622 15.982 -7.237 1.00 54.21 H new ATOM 0 HG13 ILE A 72 7.977 15.938 -6.127 1.00 54.21 H new ATOM 0 HG21 ILE A 72 9.631 17.765 -6.077 1.00 54.23 H new ATOM 0 HG22 ILE A 72 9.424 19.198 -7.113 1.00 54.23 H new ATOM 0 HG23 ILE A 72 8.362 18.956 -5.706 1.00 54.23 H new ATOM 0 HD11 ILE A 72 5.876 16.306 -4.930 1.00 11.24 H new ATOM 0 HD12 ILE A 72 6.943 17.723 -4.771 1.00 11.24 H new ATOM 0 HD13 ILE A 72 5.566 17.767 -5.899 1.00 11.24 H new ATOM 1170 N MET A 73 7.624 20.935 -8.265 1.00 12.03 N ATOM 1171 CA MET A 73 8.290 22.052 -8.925 1.00 34.00 C ATOM 1172 C MET A 73 9.642 22.337 -8.280 1.00 22.11 C ATOM 1173 O MET A 73 9.789 22.251 -7.061 1.00 41.21 O ATOM 1174 CB MET A 73 7.411 23.303 -8.868 1.00 73.02 C ATOM 1175 CG MET A 73 6.070 23.136 -9.566 1.00 4.24 C ATOM 1176 SD MET A 73 4.822 24.284 -8.954 1.00 52.54 S ATOM 1177 CE MET A 73 4.112 23.331 -7.615 1.00 33.12 C ATOM 0 H MET A 73 7.174 21.175 -7.381 1.00 12.03 H new ATOM 0 HA MET A 73 8.455 21.779 -9.967 1.00 34.00 H new ATOM 0 HB2 MET A 73 7.238 23.568 -7.825 1.00 73.02 H new ATOM 0 HB3 MET A 73 7.948 24.135 -9.324 1.00 73.02 H new ATOM 0 HG2 MET A 73 6.201 23.285 -10.638 1.00 4.24 H new ATOM 0 HG3 MET A 73 5.717 22.114 -9.428 1.00 4.24 H new ATOM 0 HE1 MET A 73 3.322 23.909 -7.136 1.00 33.12 H new ATOM 0 HE2 MET A 73 3.695 22.404 -8.009 1.00 33.12 H new ATOM 0 HE3 MET A 73 4.886 23.099 -6.884 1.00 33.12 H new ATOM 1187 N MET A 74 10.627 22.675 -9.106 1.00 10.54 N ATOM 1188 CA MET A 74 11.967 22.974 -8.614 1.00 62.32 C ATOM 1189 C MET A 74 12.534 24.213 -9.299 1.00 41.21 C ATOM 1190 O MET A 74 12.735 24.225 -10.513 1.00 53.42 O ATOM 1191 CB MET A 74 12.896 21.780 -8.845 1.00 34.32 C ATOM 1192 CG MET A 74 12.429 20.506 -8.160 1.00 34.42 C ATOM 1193 SD MET A 74 13.537 19.114 -8.452 1.00 31.32 S ATOM 1194 CE MET A 74 13.211 18.778 -10.181 1.00 10.42 C ATOM 0 H MET A 74 10.523 22.749 -10.118 1.00 10.54 H new ATOM 0 HA MET A 74 11.898 23.171 -7.544 1.00 62.32 H new ATOM 0 HB2 MET A 74 12.980 21.597 -9.916 1.00 34.32 H new ATOM 0 HB3 MET A 74 13.894 22.031 -8.485 1.00 34.32 H new ATOM 0 HG2 MET A 74 12.349 20.683 -7.087 1.00 34.42 H new ATOM 0 HG3 MET A 74 11.431 20.252 -8.516 1.00 34.42 H new ATOM 0 HE1 MET A 74 13.289 17.706 -10.364 1.00 10.42 H new ATOM 0 HE2 MET A 74 12.207 19.117 -10.434 1.00 10.42 H new ATOM 0 HE3 MET A 74 13.938 19.306 -10.798 1.00 10.42 H new ATOM 1204 N MET A 75 12.790 25.254 -8.513 1.00 32.43 N ATOM 1205 CA MET A 75 13.334 26.497 -9.045 1.00 5.44 C ATOM 1206 C MET A 75 14.808 26.647 -8.678 1.00 35.43 C ATOM 1207 O MET A 75 15.180 26.540 -7.510 1.00 41.31 O ATOM 1208 CB MET A 75 12.541 27.694 -8.516 1.00 23.15 C ATOM 1209 CG MET A 75 11.065 27.650 -8.874 1.00 13.45 C ATOM 1210 SD MET A 75 10.602 28.918 -10.070 1.00 3.05 S ATOM 1211 CE MET A 75 9.532 27.982 -11.158 1.00 75.12 C ATOM 0 H MET A 75 12.629 25.261 -7.506 1.00 32.43 H new ATOM 0 HA MET A 75 13.249 26.465 -10.131 1.00 5.44 H new ATOM 0 HB2 MET A 75 12.642 27.736 -7.432 1.00 23.15 H new ATOM 0 HB3 MET A 75 12.976 28.611 -8.913 1.00 23.15 H new ATOM 0 HG2 MET A 75 10.823 26.668 -9.280 1.00 13.45 H new ATOM 0 HG3 MET A 75 10.472 27.776 -7.968 1.00 13.45 H new ATOM 0 HE1 MET A 75 9.164 28.631 -11.953 1.00 75.12 H new ATOM 0 HE2 MET A 75 10.091 27.154 -11.595 1.00 75.12 H new ATOM 0 HE3 MET A 75 8.688 27.590 -10.590 1.00 75.12 H new ATOM 1221 N GLY A 76 15.642 26.893 -9.683 1.00 54.45 N ATOM 1222 CA GLY A 76 17.064 27.053 -9.445 1.00 62.54 C ATOM 1223 C GLY A 76 17.890 26.835 -10.698 1.00 54.00 C ATOM 1224 O GLY A 76 17.402 27.024 -11.813 1.00 62.42 O ATOM 0 H GLY A 76 15.358 26.984 -10.658 1.00 54.45 H new ATOM 0 HA2 GLY A 76 17.254 28.054 -9.058 1.00 62.54 H new ATOM 0 HA3 GLY A 76 17.382 26.348 -8.677 1.00 62.54 H new ATOM 1228 N THR A 77 19.145 26.438 -10.516 1.00 44.11 N ATOM 1229 CA THR A 77 20.041 26.198 -11.640 1.00 64.31 C ATOM 1230 C THR A 77 20.812 24.895 -11.460 1.00 21.11 C ATOM 1231 O THR A 77 21.151 24.513 -10.340 1.00 2.34 O ATOM 1232 CB THR A 77 21.044 27.354 -11.817 1.00 32.22 C ATOM 1233 OG1 THR A 77 22.014 27.013 -12.813 1.00 51.04 O ATOM 1234 CG2 THR A 77 21.746 27.666 -10.504 1.00 42.31 C ATOM 0 H THR A 77 19.564 26.276 -9.600 1.00 44.11 H new ATOM 0 HA THR A 77 19.417 26.128 -12.531 1.00 64.31 H new ATOM 0 HB THR A 77 20.493 28.239 -12.136 1.00 32.22 H new ATOM 0 HG1 THR A 77 22.647 27.754 -12.921 1.00 51.04 H new ATOM 0 HG21 THR A 77 22.449 28.485 -10.653 1.00 42.31 H new ATOM 0 HG22 THR A 77 21.007 27.954 -9.756 1.00 42.31 H new ATOM 0 HG23 THR A 77 22.285 26.783 -10.161 1.00 42.31 H new