USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 MET CE :methyl -131:sc= 0 (180deg=-2.11) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= -0.103 (180deg=-0.215) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0.932 (180deg=0.572) USER MOD Single : A 31 SER OG : rot 141:sc= 0.144 USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= -5.86! (180deg=-6.07!) USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= -1.17 (180deg=-2.15!) USER MOD Single : A 41 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.75) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= 1.4 (180deg=-1.78!) USER MOD Single : A 47 GLN : amide:sc= -2.1 K(o=-2.1,f=-7.8!) USER MOD Single : A 53 LYS NZ :NH3+ -127:sc= -7.03! (180deg=-13.7!) USER MOD Single : A 54 GLN : amide:sc= -0.366 K(o=-0.37,f=-7.8!) USER MOD Single : A 58 ASN : amide:sc= 1.8 K(o=1.8,f=-11!) USER MOD Single : A 60 TYR OH : rot -130:sc= 0.749 USER MOD Single : A 63 TYR OH : rot 151:sc= -1.51 USER MOD Single : A 74 LYS NZ :NH3+ -103:sc= 0.753 (180deg=-2.42!) USER MOD Single : A 77 ASN :FLIP amide:sc= -2.02! C(o=-3.2!,f=-2!) USER MOD Single : A 80 GLN : amide:sc= 0.164 K(o=0.16,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 3.990 -3.763 -0.816 1.00 1.55 N ATOM 2 CA MET A 20 5.118 -3.340 -1.716 1.00 1.74 C ATOM 3 C MET A 20 5.559 -1.960 -1.199 1.00 1.22 C ATOM 4 O MET A 20 4.820 -1.394 -0.416 1.00 1.07 O ATOM 5 CB MET A 20 4.634 -3.178 -3.190 1.00 2.06 C ATOM 6 CG MET A 20 3.906 -4.418 -3.763 1.00 2.66 C ATOM 7 SD MET A 20 3.299 -4.173 -5.452 1.00 4.77 S ATOM 8 CE MET A 20 2.786 -5.873 -5.817 1.00 4.14 C ATOM 0 HA MET A 20 5.916 -4.082 -1.705 1.00 1.74 H new ATOM 0 HB2 MET A 20 3.965 -2.320 -3.248 1.00 2.06 H new ATOM 0 HB3 MET A 20 5.495 -2.954 -3.820 1.00 2.06 H new ATOM 0 HG2 MET A 20 4.586 -5.269 -3.748 1.00 2.66 H new ATOM 0 HG3 MET A 20 3.066 -4.670 -3.115 1.00 2.66 H new ATOM 0 HE1 MET A 20 3.192 -6.176 -6.782 1.00 4.14 H new ATOM 0 HE2 MET A 20 3.159 -6.540 -5.040 1.00 4.14 H new ATOM 0 HE3 MET A 20 1.698 -5.926 -5.849 1.00 4.14 H new ATOM 20 N LYS A 21 6.691 -1.472 -1.629 1.00 1.03 N ATOM 21 CA LYS A 21 7.160 -0.124 -1.163 1.00 0.57 C ATOM 22 C LYS A 21 6.749 0.779 -2.301 1.00 0.22 C ATOM 23 O LYS A 21 6.578 0.398 -3.444 1.00 0.40 O ATOM 24 CB LYS A 21 8.731 -0.103 -0.964 1.00 0.67 C ATOM 25 CG LYS A 21 9.067 0.250 0.507 1.00 0.81 C ATOM 26 CD LYS A 21 10.614 0.473 0.723 1.00 0.72 C ATOM 27 CE LYS A 21 11.556 -0.690 0.322 1.00 0.76 C ATOM 28 NZ LYS A 21 11.435 -1.852 1.244 1.00 1.40 N ATOM 0 H LYS A 21 7.315 -1.944 -2.283 1.00 1.03 H new ATOM 0 HA LYS A 21 6.742 0.170 -0.200 1.00 0.57 H new ATOM 0 HB2 LYS A 21 9.153 -1.075 -1.220 1.00 0.67 H new ATOM 0 HB3 LYS A 21 9.182 0.627 -1.636 1.00 0.67 H new ATOM 0 HG2 LYS A 21 8.527 1.152 0.796 1.00 0.81 H new ATOM 0 HG3 LYS A 21 8.722 -0.551 1.160 1.00 0.81 H new ATOM 0 HD2 LYS A 21 10.910 1.358 0.160 1.00 0.72 H new ATOM 0 HD3 LYS A 21 10.780 0.695 1.777 1.00 0.72 H new ATOM 0 HE2 LYS A 21 11.325 -1.009 -0.694 1.00 0.76 H new ATOM 0 HE3 LYS A 21 12.587 -0.336 0.319 1.00 0.76 H new ATOM 0 HZ1 LYS A 21 12.005 -2.643 0.882 1.00 1.40 H new ATOM 0 HZ2 LYS A 21 11.777 -1.583 2.189 1.00 1.40 H new ATOM 0 HZ3 LYS A 21 10.439 -2.143 1.306 1.00 1.40 H new ATOM 42 N THR A 22 6.573 1.985 -1.893 1.00 0.14 N ATOM 43 CA THR A 22 6.173 3.074 -2.818 1.00 0.27 C ATOM 44 C THR A 22 7.222 4.143 -2.890 1.00 0.28 C ATOM 45 O THR A 22 7.277 4.908 -3.834 1.00 0.33 O ATOM 46 CB THR A 22 4.938 3.689 -2.343 1.00 0.50 C ATOM 47 OG1 THR A 22 5.151 3.847 -0.947 1.00 0.61 O ATOM 48 CG2 THR A 22 3.834 2.691 -2.386 1.00 0.42 C ATOM 0 H THR A 22 6.692 2.280 -0.924 1.00 0.14 H new ATOM 0 HA THR A 22 6.038 2.635 -3.806 1.00 0.27 H new ATOM 0 HB THR A 22 4.705 4.586 -2.917 1.00 0.50 H new ATOM 0 HG1 THR A 22 4.361 4.261 -0.540 1.00 0.61 H new ATOM 0 HG21 THR A 22 2.912 3.152 -2.031 1.00 0.42 H new ATOM 0 HG22 THR A 22 3.695 2.346 -3.411 1.00 0.42 H new ATOM 0 HG23 THR A 22 4.085 1.843 -1.748 1.00 0.42 H new ATOM 56 N GLU A 23 8.011 4.151 -1.855 1.00 0.26 N ATOM 57 CA GLU A 23 9.116 5.159 -1.785 1.00 0.28 C ATOM 58 C GLU A 23 10.300 4.369 -1.271 1.00 0.26 C ATOM 59 O GLU A 23 10.071 3.536 -0.421 1.00 0.27 O ATOM 60 CB GLU A 23 8.869 6.294 -0.743 1.00 0.38 C ATOM 61 CG GLU A 23 7.550 7.117 -0.921 1.00 0.45 C ATOM 62 CD GLU A 23 7.488 8.346 0.009 1.00 0.73 C ATOM 63 OE1 GLU A 23 8.553 8.745 0.458 1.00 1.65 O ATOM 64 OE2 GLU A 23 6.392 8.829 0.201 1.00 1.10 O ATOM 0 H GLU A 23 7.945 3.514 -1.061 1.00 0.26 H new ATOM 0 HA GLU A 23 9.232 5.634 -2.759 1.00 0.28 H new ATOM 0 HB2 GLU A 23 8.865 5.851 0.253 1.00 0.38 H new ATOM 0 HB3 GLU A 23 9.712 6.984 -0.781 1.00 0.38 H new ATOM 0 HG2 GLU A 23 7.468 7.445 -1.957 1.00 0.45 H new ATOM 0 HG3 GLU A 23 6.694 6.472 -0.722 1.00 0.45 H new ATOM 71 N TRP A 24 11.491 4.612 -1.732 1.00 0.29 N ATOM 72 CA TRP A 24 12.643 3.812 -1.200 1.00 0.34 C ATOM 73 C TRP A 24 13.717 4.634 -0.478 1.00 0.36 C ATOM 74 O TRP A 24 14.829 4.749 -0.960 1.00 0.31 O ATOM 75 CB TRP A 24 13.262 3.027 -2.388 1.00 0.32 C ATOM 76 CG TRP A 24 12.371 1.847 -2.779 1.00 0.31 C ATOM 77 CD1 TRP A 24 12.600 0.574 -2.370 1.00 0.32 C ATOM 78 CD2 TRP A 24 11.233 1.894 -3.505 1.00 0.30 C ATOM 79 NE1 TRP A 24 11.569 -0.084 -2.869 1.00 0.32 N ATOM 80 CE2 TRP A 24 10.695 0.626 -3.562 1.00 0.29 C ATOM 81 CE3 TRP A 24 10.594 2.948 -4.140 1.00 0.32 C ATOM 82 CZ2 TRP A 24 9.514 0.384 -4.220 1.00 0.26 C ATOM 83 CZ3 TRP A 24 9.396 2.709 -4.817 1.00 0.31 C ATOM 84 CH2 TRP A 24 8.861 1.444 -4.848 1.00 0.25 C ATOM 0 H TRP A 24 11.723 5.311 -2.438 1.00 0.29 H new ATOM 0 HA TRP A 24 12.251 3.145 -0.432 1.00 0.34 H new ATOM 0 HB2 TRP A 24 13.390 3.692 -3.242 1.00 0.32 H new ATOM 0 HB3 TRP A 24 14.253 2.666 -2.114 1.00 0.32 H new ATOM 0 HD1 TRP A 24 13.422 0.193 -1.782 1.00 0.32 H new ATOM 0 HE1 TRP A 24 11.453 -1.087 -2.727 1.00 0.32 H new ATOM 0 HE3 TRP A 24 11.017 3.941 -4.111 1.00 0.32 H new ATOM 0 HZ2 TRP A 24 9.097 -0.612 -4.251 1.00 0.26 H new ATOM 0 HZ3 TRP A 24 8.889 3.521 -5.317 1.00 0.31 H new ATOM 0 HH2 TRP A 24 7.928 1.269 -5.363 1.00 0.25 H new ATOM 95 N PRO A 25 13.403 5.195 0.676 1.00 0.43 N ATOM 96 CA PRO A 25 14.462 5.855 1.518 1.00 0.47 C ATOM 97 C PRO A 25 15.611 4.820 1.563 1.00 0.43 C ATOM 98 O PRO A 25 16.767 5.089 1.311 1.00 0.44 O ATOM 99 CB PRO A 25 13.691 6.154 2.837 1.00 0.61 C ATOM 100 CG PRO A 25 12.429 5.230 2.786 1.00 0.59 C ATOM 101 CD PRO A 25 12.051 5.209 1.301 1.00 0.47 C ATOM 0 HA PRO A 25 14.926 6.787 1.195 1.00 0.47 H new ATOM 0 HB2 PRO A 25 14.305 5.936 3.711 1.00 0.61 H new ATOM 0 HB3 PRO A 25 13.409 7.205 2.900 1.00 0.61 H new ATOM 0 HG2 PRO A 25 12.651 4.229 3.157 1.00 0.59 H new ATOM 0 HG3 PRO A 25 11.619 5.625 3.399 1.00 0.59 H new ATOM 0 HD2 PRO A 25 11.463 4.331 1.036 1.00 0.47 H new ATOM 0 HD3 PRO A 25 11.469 6.083 1.009 1.00 0.47 H new ATOM 109 N GLU A 26 15.151 3.647 1.870 1.00 0.43 N ATOM 110 CA GLU A 26 15.904 2.354 2.008 1.00 0.49 C ATOM 111 C GLU A 26 17.015 2.159 0.920 1.00 0.52 C ATOM 112 O GLU A 26 17.951 1.390 1.056 1.00 0.81 O ATOM 113 CB GLU A 26 14.810 1.276 1.939 1.00 0.48 C ATOM 114 CG GLU A 26 15.300 -0.091 2.455 1.00 0.89 C ATOM 115 CD GLU A 26 14.177 -1.109 2.286 1.00 1.17 C ATOM 116 OE1 GLU A 26 13.310 -1.178 3.139 1.00 1.54 O ATOM 117 OE2 GLU A 26 14.215 -1.794 1.281 1.00 1.48 O ATOM 0 H GLU A 26 14.157 3.515 2.055 1.00 0.43 H new ATOM 0 HA GLU A 26 16.469 2.315 2.939 1.00 0.49 H new ATOM 0 HB2 GLU A 26 13.950 1.597 2.527 1.00 0.48 H new ATOM 0 HB3 GLU A 26 14.470 1.172 0.908 1.00 0.48 H new ATOM 0 HG2 GLU A 26 16.184 -0.409 1.902 1.00 0.89 H new ATOM 0 HG3 GLU A 26 15.589 -0.018 3.503 1.00 0.89 H new ATOM 124 N LEU A 27 16.854 2.879 -0.158 1.00 0.27 N ATOM 125 CA LEU A 27 17.795 2.844 -1.318 1.00 0.30 C ATOM 126 C LEU A 27 18.709 4.024 -1.595 1.00 0.25 C ATOM 127 O LEU A 27 19.479 3.931 -2.532 1.00 0.36 O ATOM 128 CB LEU A 27 16.962 2.601 -2.563 1.00 0.39 C ATOM 129 CG LEU A 27 16.365 1.227 -2.552 1.00 0.52 C ATOM 130 CD1 LEU A 27 15.529 1.051 -3.812 1.00 1.08 C ATOM 131 CD2 LEU A 27 17.531 0.234 -2.538 1.00 0.85 C ATOM 0 H LEU A 27 16.071 3.520 -0.287 1.00 0.27 H new ATOM 0 HA LEU A 27 18.500 2.060 -1.041 1.00 0.30 H new ATOM 0 HB2 LEU A 27 16.168 3.345 -2.624 1.00 0.39 H new ATOM 0 HB3 LEU A 27 17.583 2.724 -3.450 1.00 0.39 H new ATOM 0 HG LEU A 27 15.724 1.066 -1.685 1.00 0.52 H new ATOM 0 HD11 LEU A 27 15.087 0.055 -3.819 1.00 1.08 H new ATOM 0 HD12 LEU A 27 14.737 1.800 -3.831 1.00 1.08 H new ATOM 0 HD13 LEU A 27 16.164 1.173 -4.690 1.00 1.08 H new ATOM 0 HD21 LEU A 27 17.142 -0.784 -2.530 1.00 0.85 H new ATOM 0 HD22 LEU A 27 18.144 0.381 -3.427 1.00 0.85 H new ATOM 0 HD23 LEU A 27 18.138 0.398 -1.647 1.00 0.85 H new ATOM 143 N VAL A 28 18.663 5.082 -0.842 1.00 0.32 N ATOM 144 CA VAL A 28 19.586 6.205 -1.179 1.00 0.40 C ATOM 145 C VAL A 28 21.058 5.767 -0.979 1.00 0.47 C ATOM 146 O VAL A 28 21.379 4.884 -0.204 1.00 0.90 O ATOM 147 CB VAL A 28 19.178 7.397 -0.270 1.00 0.58 C ATOM 148 CG1 VAL A 28 20.023 8.629 -0.625 1.00 0.70 C ATOM 149 CG2 VAL A 28 17.677 7.736 -0.495 1.00 0.57 C ATOM 0 H VAL A 28 18.053 5.221 -0.037 1.00 0.32 H new ATOM 0 HA VAL A 28 19.509 6.503 -2.225 1.00 0.40 H new ATOM 0 HB VAL A 28 19.343 7.123 0.772 1.00 0.58 H new ATOM 0 HG11 VAL A 28 19.735 9.464 0.014 1.00 0.70 H new ATOM 0 HG12 VAL A 28 21.078 8.403 -0.473 1.00 0.70 H new ATOM 0 HG13 VAL A 28 19.856 8.896 -1.668 1.00 0.70 H new ATOM 0 HG21 VAL A 28 17.393 8.572 0.144 1.00 0.57 H new ATOM 0 HG22 VAL A 28 17.518 8.006 -1.539 1.00 0.57 H new ATOM 0 HG23 VAL A 28 17.067 6.867 -0.248 1.00 0.57 H new ATOM 159 N GLY A 29 21.928 6.410 -1.711 1.00 0.14 N ATOM 160 CA GLY A 29 23.397 6.085 -1.624 1.00 0.29 C ATOM 161 C GLY A 29 23.705 4.645 -2.052 1.00 0.26 C ATOM 162 O GLY A 29 24.688 4.073 -1.626 1.00 0.27 O ATOM 0 H GLY A 29 21.691 7.151 -2.371 1.00 0.14 H new ATOM 0 HA2 GLY A 29 23.957 6.776 -2.254 1.00 0.29 H new ATOM 0 HA3 GLY A 29 23.740 6.238 -0.601 1.00 0.29 H new ATOM 166 N LYS A 30 22.853 4.109 -2.878 1.00 0.36 N ATOM 167 CA LYS A 30 23.045 2.712 -3.378 1.00 0.37 C ATOM 168 C LYS A 30 23.178 2.669 -4.877 1.00 0.34 C ATOM 169 O LYS A 30 22.783 3.613 -5.530 1.00 0.42 O ATOM 170 CB LYS A 30 21.872 1.883 -3.009 1.00 0.44 C ATOM 171 CG LYS A 30 21.857 1.689 -1.503 1.00 0.49 C ATOM 172 CD LYS A 30 21.042 0.444 -1.397 1.00 1.66 C ATOM 173 CE LYS A 30 20.831 0.001 -0.022 1.00 1.00 C ATOM 174 NZ LYS A 30 20.137 -1.296 -0.190 1.00 1.35 N ATOM 0 H LYS A 30 22.022 4.581 -3.234 1.00 0.36 H new ATOM 0 HA LYS A 30 23.960 2.331 -2.924 1.00 0.37 H new ATOM 0 HB2 LYS A 30 20.951 2.367 -3.335 1.00 0.44 H new ATOM 0 HB3 LYS A 30 21.920 0.917 -3.512 1.00 0.44 H new ATOM 0 HG2 LYS A 30 22.859 1.565 -1.091 1.00 0.49 H new ATOM 0 HG3 LYS A 30 21.399 2.530 -0.981 1.00 0.49 H new ATOM 0 HD2 LYS A 30 20.074 0.612 -1.869 1.00 1.66 H new ATOM 0 HD3 LYS A 30 21.535 -0.352 -1.955 1.00 1.66 H new ATOM 0 HE2 LYS A 30 21.773 -0.112 0.514 1.00 1.00 H new ATOM 0 HE3 LYS A 30 20.227 0.711 0.542 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 19.831 -1.649 0.739 1.00 1.35 H new ATOM 0 HZ2 LYS A 30 19.307 -1.169 -0.803 1.00 1.35 H new ATOM 0 HZ3 LYS A 30 20.786 -1.983 -0.624 1.00 1.35 H new ATOM 188 N SER A 31 23.680 1.577 -5.402 1.00 0.35 N ATOM 189 CA SER A 31 23.825 1.526 -6.882 1.00 0.34 C ATOM 190 C SER A 31 22.441 1.384 -7.447 1.00 0.28 C ATOM 191 O SER A 31 21.618 0.617 -6.981 1.00 0.43 O ATOM 192 CB SER A 31 24.662 0.313 -7.329 1.00 0.36 C ATOM 193 OG SER A 31 23.935 -0.839 -6.896 1.00 0.30 O ATOM 0 H SER A 31 23.984 0.750 -4.889 1.00 0.35 H new ATOM 0 HA SER A 31 24.330 2.427 -7.231 1.00 0.34 H new ATOM 0 HB2 SER A 31 24.797 0.307 -8.411 1.00 0.36 H new ATOM 0 HB3 SER A 31 25.657 0.338 -6.884 1.00 0.36 H new ATOM 0 HG SER A 31 23.990 -1.537 -7.582 1.00 0.30 H new ATOM 199 N VAL A 32 22.195 2.153 -8.461 1.00 0.23 N ATOM 200 CA VAL A 32 20.865 2.070 -9.075 1.00 0.18 C ATOM 201 C VAL A 32 20.479 0.603 -9.307 1.00 0.14 C ATOM 202 O VAL A 32 19.413 0.202 -8.915 1.00 0.11 O ATOM 203 CB VAL A 32 20.935 2.891 -10.338 1.00 0.17 C ATOM 204 CG1 VAL A 32 21.932 2.290 -11.390 1.00 0.18 C ATOM 205 CG2 VAL A 32 19.476 3.106 -10.731 1.00 0.15 C ATOM 0 H VAL A 32 22.845 2.819 -8.879 1.00 0.23 H new ATOM 0 HA VAL A 32 20.078 2.468 -8.435 1.00 0.18 H new ATOM 0 HB VAL A 32 21.393 3.873 -10.225 1.00 0.17 H new ATOM 0 HG11 VAL A 32 21.945 2.919 -12.280 1.00 0.18 H new ATOM 0 HG12 VAL A 32 22.933 2.249 -10.961 1.00 0.18 H new ATOM 0 HG13 VAL A 32 21.612 1.284 -11.661 1.00 0.18 H new ATOM 0 HG21 VAL A 32 19.429 3.698 -11.645 1.00 0.15 H new ATOM 0 HG22 VAL A 32 18.998 2.141 -10.898 1.00 0.15 H new ATOM 0 HG23 VAL A 32 18.957 3.633 -9.930 1.00 0.15 H new ATOM 215 N GLU A 33 21.310 -0.192 -9.923 1.00 0.21 N ATOM 216 CA GLU A 33 20.947 -1.625 -10.136 1.00 0.23 C ATOM 217 C GLU A 33 20.448 -2.254 -8.839 1.00 0.21 C ATOM 218 O GLU A 33 19.416 -2.903 -8.840 1.00 0.21 O ATOM 219 CB GLU A 33 22.197 -2.362 -10.680 1.00 0.31 C ATOM 220 CG GLU A 33 22.434 -1.986 -12.176 1.00 0.24 C ATOM 221 CD GLU A 33 21.251 -2.438 -13.032 1.00 0.91 C ATOM 222 OE1 GLU A 33 20.261 -1.719 -13.030 1.00 0.90 O ATOM 223 OE2 GLU A 33 21.402 -3.480 -13.630 1.00 1.93 O ATOM 0 H GLU A 33 22.221 0.085 -10.287 1.00 0.21 H new ATOM 0 HA GLU A 33 20.134 -1.705 -10.858 1.00 0.23 H new ATOM 0 HB2 GLU A 33 23.072 -2.096 -10.087 1.00 0.31 H new ATOM 0 HB3 GLU A 33 22.063 -3.440 -10.585 1.00 0.31 H new ATOM 0 HG2 GLU A 33 22.569 -0.908 -12.270 1.00 0.24 H new ATOM 0 HG3 GLU A 33 23.351 -2.454 -12.535 1.00 0.24 H new ATOM 230 N GLU A 34 21.141 -2.066 -7.749 1.00 0.19 N ATOM 231 CA GLU A 34 20.616 -2.692 -6.502 1.00 0.18 C ATOM 232 C GLU A 34 19.265 -2.026 -6.201 1.00 0.14 C ATOM 233 O GLU A 34 18.299 -2.701 -5.898 1.00 0.16 O ATOM 234 CB GLU A 34 21.623 -2.460 -5.383 1.00 0.20 C ATOM 235 CG GLU A 34 21.127 -3.353 -4.187 1.00 0.60 C ATOM 236 CD GLU A 34 20.776 -2.524 -2.966 1.00 1.61 C ATOM 237 OE1 GLU A 34 19.973 -1.622 -3.112 1.00 2.63 O ATOM 238 OE2 GLU A 34 21.297 -2.805 -1.903 1.00 1.97 O ATOM 0 H GLU A 34 22.007 -1.533 -7.665 1.00 0.19 H new ATOM 0 HA GLU A 34 20.473 -3.768 -6.603 1.00 0.18 H new ATOM 0 HB2 GLU A 34 22.629 -2.742 -5.694 1.00 0.20 H new ATOM 0 HB3 GLU A 34 21.661 -1.408 -5.099 1.00 0.20 H new ATOM 0 HG2 GLU A 34 20.254 -3.925 -4.500 1.00 0.60 H new ATOM 0 HG3 GLU A 34 21.903 -4.073 -3.926 1.00 0.60 H new ATOM 245 N ALA A 35 19.212 -0.728 -6.288 1.00 0.13 N ATOM 246 CA ALA A 35 17.935 -0.039 -6.021 1.00 0.11 C ATOM 247 C ALA A 35 16.834 -0.711 -6.837 1.00 0.15 C ATOM 248 O ALA A 35 15.785 -1.043 -6.337 1.00 0.20 O ATOM 249 CB ALA A 35 18.100 1.440 -6.415 1.00 0.06 C ATOM 0 H ALA A 35 19.996 -0.123 -6.531 1.00 0.13 H new ATOM 0 HA ALA A 35 17.662 -0.097 -4.967 1.00 0.11 H new ATOM 0 HB1 ALA A 35 17.168 1.973 -6.227 1.00 0.06 H new ATOM 0 HB2 ALA A 35 18.899 1.887 -5.824 1.00 0.06 H new ATOM 0 HB3 ALA A 35 18.350 1.509 -7.474 1.00 0.06 H new ATOM 255 N LYS A 36 17.092 -0.909 -8.095 1.00 0.14 N ATOM 256 CA LYS A 36 16.104 -1.552 -8.997 1.00 0.16 C ATOM 257 C LYS A 36 15.760 -2.897 -8.353 1.00 0.16 C ATOM 258 O LYS A 36 14.604 -3.175 -8.123 1.00 0.16 O ATOM 259 CB LYS A 36 16.782 -1.681 -10.391 1.00 0.20 C ATOM 260 CG LYS A 36 17.130 -0.267 -10.932 1.00 0.33 C ATOM 261 CD LYS A 36 17.396 -0.392 -12.434 1.00 0.47 C ATOM 262 CE LYS A 36 18.278 0.741 -12.987 1.00 0.71 C ATOM 263 NZ LYS A 36 19.668 0.585 -12.468 1.00 2.09 N ATOM 0 H LYS A 36 17.968 -0.645 -8.546 1.00 0.14 H new ATOM 0 HA LYS A 36 15.178 -0.994 -9.137 1.00 0.16 H new ATOM 0 HB2 LYS A 36 17.686 -2.285 -10.313 1.00 0.20 H new ATOM 0 HB3 LYS A 36 16.116 -2.194 -11.085 1.00 0.20 H new ATOM 0 HG2 LYS A 36 16.309 0.426 -10.746 1.00 0.33 H new ATOM 0 HG3 LYS A 36 18.006 0.132 -10.421 1.00 0.33 H new ATOM 0 HD2 LYS A 36 17.877 -1.349 -12.633 1.00 0.47 H new ATOM 0 HD3 LYS A 36 16.445 -0.397 -12.966 1.00 0.47 H new ATOM 0 HE2 LYS A 36 18.280 0.716 -14.077 1.00 0.71 H new ATOM 0 HE3 LYS A 36 17.874 1.709 -12.691 1.00 0.71 H new ATOM 0 HZ1 LYS A 36 20.281 1.309 -12.894 1.00 2.09 H new ATOM 0 HZ2 LYS A 36 19.667 0.696 -11.434 1.00 2.09 H new ATOM 0 HZ3 LYS A 36 20.026 -0.360 -12.714 1.00 2.09 H new ATOM 277 N LYS A 37 16.741 -3.708 -8.060 1.00 0.16 N ATOM 278 CA LYS A 37 16.442 -5.022 -7.427 1.00 0.14 C ATOM 279 C LYS A 37 15.484 -4.867 -6.233 1.00 0.13 C ATOM 280 O LYS A 37 14.511 -5.580 -6.098 1.00 0.16 O ATOM 281 CB LYS A 37 17.734 -5.669 -6.923 1.00 0.05 C ATOM 282 CG LYS A 37 18.679 -6.050 -8.063 1.00 1.41 C ATOM 283 CD LYS A 37 19.472 -7.362 -7.662 1.00 1.40 C ATOM 284 CE LYS A 37 19.987 -7.403 -6.192 1.00 0.70 C ATOM 285 NZ LYS A 37 20.850 -6.208 -5.994 1.00 1.82 N ATOM 0 H LYS A 37 17.729 -3.518 -8.230 1.00 0.16 H new ATOM 0 HA LYS A 37 15.971 -5.647 -8.186 1.00 0.14 H new ATOM 0 HB2 LYS A 37 18.242 -4.981 -6.248 1.00 0.05 H new ATOM 0 HB3 LYS A 37 17.489 -6.560 -6.345 1.00 0.05 H new ATOM 0 HG2 LYS A 37 18.114 -6.218 -8.980 1.00 1.41 H new ATOM 0 HG3 LYS A 37 19.376 -5.236 -8.262 1.00 1.41 H new ATOM 0 HD2 LYS A 37 18.825 -8.223 -7.827 1.00 1.40 H new ATOM 0 HD3 LYS A 37 20.325 -7.471 -8.332 1.00 1.40 H new ATOM 0 HE2 LYS A 37 19.152 -7.395 -5.492 1.00 0.70 H new ATOM 0 HE3 LYS A 37 20.549 -8.318 -6.007 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 21.719 -6.486 -5.496 1.00 1.82 H new ATOM 0 HZ2 LYS A 37 21.096 -5.801 -6.919 1.00 1.82 H new ATOM 0 HZ3 LYS A 37 20.339 -5.500 -5.429 1.00 1.82 H new ATOM 299 N VAL A 38 15.811 -3.911 -5.410 1.00 0.13 N ATOM 300 CA VAL A 38 14.995 -3.633 -4.199 1.00 0.15 C ATOM 301 C VAL A 38 13.588 -3.227 -4.594 1.00 0.13 C ATOM 302 O VAL A 38 12.623 -3.751 -4.082 1.00 0.13 O ATOM 303 CB VAL A 38 15.748 -2.545 -3.438 1.00 0.22 C ATOM 304 CG1 VAL A 38 14.842 -1.933 -2.363 1.00 0.24 C ATOM 305 CG2 VAL A 38 16.976 -3.223 -2.786 1.00 0.31 C ATOM 0 H VAL A 38 16.621 -3.303 -5.528 1.00 0.13 H new ATOM 0 HA VAL A 38 14.868 -4.509 -3.563 1.00 0.15 H new ATOM 0 HB VAL A 38 16.058 -1.741 -4.105 1.00 0.22 H new ATOM 0 HG11 VAL A 38 15.388 -1.158 -1.825 1.00 0.24 H new ATOM 0 HG12 VAL A 38 13.962 -1.496 -2.835 1.00 0.24 H new ATOM 0 HG13 VAL A 38 14.531 -2.709 -1.664 1.00 0.24 H new ATOM 0 HG21 VAL A 38 17.548 -2.481 -2.228 1.00 0.31 H new ATOM 0 HG22 VAL A 38 16.641 -4.008 -2.108 1.00 0.31 H new ATOM 0 HG23 VAL A 38 17.606 -3.658 -3.562 1.00 0.31 H new ATOM 315 N ILE A 39 13.518 -2.300 -5.499 1.00 0.17 N ATOM 316 CA ILE A 39 12.218 -1.800 -5.990 1.00 0.15 C ATOM 317 C ILE A 39 11.439 -2.981 -6.503 1.00 0.13 C ATOM 318 O ILE A 39 10.259 -3.031 -6.257 1.00 0.11 O ATOM 319 CB ILE A 39 12.638 -0.735 -6.986 1.00 0.15 C ATOM 320 CG1 ILE A 39 12.975 0.435 -6.022 1.00 0.08 C ATOM 321 CG2 ILE A 39 11.501 -0.342 -7.939 1.00 0.25 C ATOM 322 CD1 ILE A 39 13.837 1.490 -6.630 1.00 0.08 C ATOM 0 H ILE A 39 14.331 -1.858 -5.928 1.00 0.17 H new ATOM 0 HA ILE A 39 11.531 -1.347 -5.275 1.00 0.15 H new ATOM 0 HB ILE A 39 13.446 -1.045 -7.648 1.00 0.15 H new ATOM 0 HG12 ILE A 39 12.046 0.891 -5.681 1.00 0.08 H new ATOM 0 HG13 ILE A 39 13.476 0.034 -5.141 1.00 0.08 H new ATOM 0 HG21 ILE A 39 11.854 0.423 -8.631 1.00 0.25 H new ATOM 0 HG22 ILE A 39 11.178 -1.218 -8.501 1.00 0.25 H new ATOM 0 HG23 ILE A 39 10.662 0.049 -7.363 1.00 0.25 H new ATOM 0 HD11 ILE A 39 14.028 2.272 -5.895 1.00 0.08 H new ATOM 0 HD12 ILE A 39 14.783 1.050 -6.946 1.00 0.08 H new ATOM 0 HD13 ILE A 39 13.331 1.920 -7.494 1.00 0.08 H new ATOM 334 N LEU A 40 12.087 -3.880 -7.182 1.00 0.13 N ATOM 335 CA LEU A 40 11.381 -5.087 -7.699 1.00 0.16 C ATOM 336 C LEU A 40 11.047 -6.000 -6.515 1.00 0.29 C ATOM 337 O LEU A 40 9.970 -6.546 -6.481 1.00 0.36 O ATOM 338 CB LEU A 40 12.299 -5.813 -8.714 1.00 0.24 C ATOM 339 CG LEU A 40 12.575 -4.907 -9.910 1.00 0.23 C ATOM 340 CD1 LEU A 40 13.399 -5.707 -10.915 1.00 0.42 C ATOM 341 CD2 LEU A 40 11.265 -4.465 -10.582 1.00 0.18 C ATOM 0 H LEU A 40 13.081 -3.833 -7.404 1.00 0.13 H new ATOM 0 HA LEU A 40 10.457 -4.809 -8.205 1.00 0.16 H new ATOM 0 HB2 LEU A 40 13.237 -6.091 -8.234 1.00 0.24 H new ATOM 0 HB3 LEU A 40 11.826 -6.736 -9.048 1.00 0.24 H new ATOM 0 HG LEU A 40 13.105 -4.015 -9.575 1.00 0.23 H new ATOM 0 HD11 LEU A 40 13.614 -5.087 -11.785 1.00 0.42 H new ATOM 0 HD12 LEU A 40 14.335 -6.019 -10.452 1.00 0.42 H new ATOM 0 HD13 LEU A 40 12.837 -6.587 -11.227 1.00 0.42 H new ATOM 0 HD21 LEU A 40 11.491 -3.820 -11.431 1.00 0.18 H new ATOM 0 HD22 LEU A 40 10.719 -5.343 -10.928 1.00 0.18 H new ATOM 0 HD23 LEU A 40 10.654 -3.918 -9.864 1.00 0.18 H new ATOM 353 N GLN A 41 11.944 -6.166 -5.587 1.00 0.33 N ATOM 354 CA GLN A 41 11.704 -7.032 -4.397 1.00 0.47 C ATOM 355 C GLN A 41 10.403 -6.573 -3.709 1.00 0.49 C ATOM 356 O GLN A 41 9.530 -7.346 -3.378 1.00 0.51 O ATOM 357 CB GLN A 41 12.973 -6.898 -3.497 1.00 0.65 C ATOM 358 CG GLN A 41 12.706 -6.174 -2.143 1.00 1.17 C ATOM 359 CD GLN A 41 13.975 -5.826 -1.389 1.00 1.21 C ATOM 360 OE1 GLN A 41 14.990 -6.480 -1.422 1.00 0.92 O ATOM 361 NE2 GLN A 41 13.965 -4.769 -0.661 1.00 1.66 N ATOM 0 H GLN A 41 12.863 -5.724 -5.603 1.00 0.33 H new ATOM 0 HA GLN A 41 11.562 -8.085 -4.642 1.00 0.47 H new ATOM 0 HB2 GLN A 41 13.371 -7.892 -3.295 1.00 0.65 H new ATOM 0 HB3 GLN A 41 13.741 -6.353 -4.046 1.00 0.65 H new ATOM 0 HG2 GLN A 41 12.142 -5.261 -2.332 1.00 1.17 H new ATOM 0 HG3 GLN A 41 12.082 -6.810 -1.516 1.00 1.17 H new ATOM 0 HE21 GLN A 41 13.125 -4.193 -0.610 1.00 1.66 H new ATOM 0 HE22 GLN A 41 14.797 -4.505 -0.134 1.00 1.66 H new ATOM 370 N ASP A 42 10.332 -5.290 -3.531 1.00 0.50 N ATOM 371 CA ASP A 42 9.182 -4.630 -2.897 1.00 0.59 C ATOM 372 C ASP A 42 7.993 -4.609 -3.849 1.00 0.54 C ATOM 373 O ASP A 42 6.890 -5.007 -3.528 1.00 0.57 O ATOM 374 CB ASP A 42 9.697 -3.244 -2.531 1.00 0.70 C ATOM 375 CG ASP A 42 10.378 -3.312 -1.180 1.00 0.91 C ATOM 376 OD1 ASP A 42 9.620 -3.321 -0.233 1.00 1.45 O ATOM 377 OD2 ASP A 42 11.585 -3.352 -1.099 1.00 1.90 O ATOM 0 H ASP A 42 11.068 -4.645 -3.818 1.00 0.50 H new ATOM 0 HA ASP A 42 8.813 -5.146 -2.011 1.00 0.59 H new ATOM 0 HB2 ASP A 42 10.397 -2.890 -3.288 1.00 0.70 H new ATOM 0 HB3 ASP A 42 8.873 -2.532 -2.502 1.00 0.70 H new ATOM 382 N LYS A 43 8.295 -4.137 -5.012 1.00 0.47 N ATOM 383 CA LYS A 43 7.329 -3.990 -6.121 1.00 0.43 C ATOM 384 C LYS A 43 7.760 -4.716 -7.431 1.00 0.25 C ATOM 385 O LYS A 43 8.235 -4.077 -8.348 1.00 0.24 O ATOM 386 CB LYS A 43 7.195 -2.480 -6.273 1.00 0.44 C ATOM 387 CG LYS A 43 6.093 -2.209 -7.284 1.00 0.44 C ATOM 388 CD LYS A 43 5.847 -0.695 -7.471 1.00 0.36 C ATOM 389 CE LYS A 43 4.770 -0.585 -8.507 1.00 0.65 C ATOM 390 NZ LYS A 43 3.538 -1.266 -7.947 1.00 1.71 N ATOM 0 H LYS A 43 9.236 -3.827 -5.254 1.00 0.47 H new ATOM 0 HA LYS A 43 6.375 -4.472 -5.906 1.00 0.43 H new ATOM 0 HB2 LYS A 43 6.955 -2.020 -5.314 1.00 0.44 H new ATOM 0 HB3 LYS A 43 8.136 -2.045 -6.609 1.00 0.44 H new ATOM 0 HG2 LYS A 43 6.361 -2.655 -8.242 1.00 0.44 H new ATOM 0 HG3 LYS A 43 5.171 -2.689 -6.955 1.00 0.44 H new ATOM 0 HD2 LYS A 43 5.539 -0.230 -6.535 1.00 0.36 H new ATOM 0 HD3 LYS A 43 6.756 -0.188 -7.795 1.00 0.36 H new ATOM 0 HE2 LYS A 43 4.561 0.460 -8.736 1.00 0.65 H new ATOM 0 HE3 LYS A 43 5.082 -1.059 -9.438 1.00 0.65 H new ATOM 0 HZ1 LYS A 43 2.703 -0.671 -8.122 1.00 1.71 H new ATOM 0 HZ2 LYS A 43 3.410 -2.188 -8.411 1.00 1.71 H new ATOM 0 HZ3 LYS A 43 3.654 -1.407 -6.923 1.00 1.71 H new ATOM 404 N PRO A 44 7.580 -6.016 -7.502 1.00 0.16 N ATOM 405 CA PRO A 44 8.002 -6.821 -8.696 1.00 0.20 C ATOM 406 C PRO A 44 7.471 -6.216 -10.009 1.00 0.36 C ATOM 407 O PRO A 44 8.046 -6.367 -11.068 1.00 0.57 O ATOM 408 CB PRO A 44 7.474 -8.229 -8.368 1.00 0.27 C ATOM 409 CG PRO A 44 7.525 -8.252 -6.821 1.00 0.38 C ATOM 410 CD PRO A 44 6.965 -6.872 -6.449 1.00 0.27 C ATOM 0 HA PRO A 44 9.078 -6.837 -8.870 1.00 0.20 H new ATOM 0 HB2 PRO A 44 6.462 -8.381 -8.743 1.00 0.27 H new ATOM 0 HB3 PRO A 44 8.097 -9.009 -8.807 1.00 0.27 H new ATOM 0 HG2 PRO A 44 6.921 -9.060 -6.407 1.00 0.38 H new ATOM 0 HG3 PRO A 44 8.541 -8.391 -6.451 1.00 0.38 H new ATOM 0 HD2 PRO A 44 5.876 -6.847 -6.483 1.00 0.27 H new ATOM 0 HD3 PRO A 44 7.260 -6.565 -5.445 1.00 0.27 H new ATOM 418 N GLU A 45 6.371 -5.538 -9.837 1.00 0.54 N ATOM 419 CA GLU A 45 5.623 -4.839 -10.919 1.00 0.90 C ATOM 420 C GLU A 45 6.380 -3.622 -11.465 1.00 0.57 C ATOM 421 O GLU A 45 6.250 -3.259 -12.616 1.00 0.37 O ATOM 422 CB GLU A 45 4.270 -4.310 -10.373 1.00 1.57 C ATOM 423 CG GLU A 45 3.271 -5.359 -9.782 1.00 1.23 C ATOM 424 CD GLU A 45 2.082 -4.695 -9.016 1.00 2.02 C ATOM 425 OE1 GLU A 45 2.108 -3.477 -8.883 1.00 2.44 O ATOM 426 OE2 GLU A 45 1.215 -5.451 -8.600 1.00 2.35 O ATOM 0 H GLU A 45 5.932 -5.435 -8.922 1.00 0.54 H new ATOM 0 HA GLU A 45 5.486 -5.572 -11.714 1.00 0.90 H new ATOM 0 HB2 GLU A 45 4.484 -3.575 -9.597 1.00 1.57 H new ATOM 0 HB3 GLU A 45 3.764 -3.782 -11.181 1.00 1.57 H new ATOM 0 HG2 GLU A 45 2.878 -5.976 -10.590 1.00 1.23 H new ATOM 0 HG3 GLU A 45 3.807 -6.024 -9.105 1.00 1.23 H new ATOM 433 N ALA A 46 7.151 -3.034 -10.601 1.00 0.60 N ATOM 434 CA ALA A 46 7.937 -1.821 -10.933 1.00 0.49 C ATOM 435 C ALA A 46 8.690 -1.661 -12.273 1.00 0.38 C ATOM 436 O ALA A 46 9.706 -2.262 -12.567 1.00 0.40 O ATOM 437 CB ALA A 46 8.931 -1.592 -9.749 1.00 0.46 C ATOM 0 H ALA A 46 7.272 -3.358 -9.641 1.00 0.60 H new ATOM 0 HA ALA A 46 7.157 -1.075 -11.083 1.00 0.49 H new ATOM 0 HB1 ALA A 46 9.535 -0.706 -9.947 1.00 0.46 H new ATOM 0 HB2 ALA A 46 8.370 -1.450 -8.825 1.00 0.46 H new ATOM 0 HB3 ALA A 46 9.582 -2.460 -9.648 1.00 0.46 H new ATOM 443 N GLN A 47 8.104 -0.793 -13.044 1.00 0.27 N ATOM 444 CA GLN A 47 8.577 -0.392 -14.381 1.00 0.25 C ATOM 445 C GLN A 47 9.317 0.883 -13.862 1.00 0.42 C ATOM 446 O GLN A 47 8.888 2.018 -13.849 1.00 0.46 O ATOM 447 CB GLN A 47 7.223 -0.273 -15.175 1.00 0.52 C ATOM 448 CG GLN A 47 6.921 1.089 -15.780 1.00 1.05 C ATOM 449 CD GLN A 47 7.762 1.469 -16.976 1.00 1.55 C ATOM 450 OE1 GLN A 47 7.758 2.587 -17.443 1.00 2.48 O ATOM 451 NE2 GLN A 47 8.512 0.596 -17.541 1.00 1.81 N ATOM 0 H GLN A 47 7.247 -0.313 -12.768 1.00 0.27 H new ATOM 0 HA GLN A 47 9.223 -0.958 -15.052 1.00 0.25 H new ATOM 0 HB2 GLN A 47 7.229 -1.011 -15.977 1.00 0.52 H new ATOM 0 HB3 GLN A 47 6.407 -0.539 -14.503 1.00 0.52 H new ATOM 0 HG2 GLN A 47 5.871 1.112 -16.073 1.00 1.05 H new ATOM 0 HG3 GLN A 47 7.053 1.848 -15.009 1.00 1.05 H new ATOM 0 HE21 GLN A 47 8.546 -0.358 -17.180 1.00 1.81 H new ATOM 0 HE22 GLN A 47 9.075 0.855 -18.351 1.00 1.81 H new ATOM 460 N ILE A 48 10.475 0.572 -13.366 1.00 0.54 N ATOM 461 CA ILE A 48 11.427 1.562 -12.783 1.00 0.63 C ATOM 462 C ILE A 48 11.689 2.634 -13.861 1.00 1.05 C ATOM 463 O ILE A 48 11.992 2.351 -15.003 1.00 1.51 O ATOM 464 CB ILE A 48 12.690 0.710 -12.325 1.00 0.56 C ATOM 465 CG1 ILE A 48 12.113 -0.586 -11.612 1.00 0.40 C ATOM 466 CG2 ILE A 48 13.519 1.482 -11.265 1.00 0.43 C ATOM 467 CD1 ILE A 48 13.064 -1.302 -10.674 1.00 0.62 C ATOM 0 H ILE A 48 10.823 -0.386 -13.338 1.00 0.54 H new ATOM 0 HA ILE A 48 11.072 2.111 -11.910 1.00 0.63 H new ATOM 0 HB ILE A 48 13.324 0.489 -13.184 1.00 0.56 H new ATOM 0 HG12 ILE A 48 11.223 -0.303 -11.050 1.00 0.40 H new ATOM 0 HG13 ILE A 48 11.794 -1.289 -12.381 1.00 0.40 H new ATOM 0 HG21 ILE A 48 14.378 0.881 -10.966 1.00 0.43 H new ATOM 0 HG22 ILE A 48 13.866 2.424 -11.690 1.00 0.43 H new ATOM 0 HG23 ILE A 48 12.897 1.684 -10.393 1.00 0.43 H new ATOM 0 HD11 ILE A 48 12.566 -2.171 -10.244 1.00 0.62 H new ATOM 0 HD12 ILE A 48 13.945 -1.626 -11.227 1.00 0.62 H new ATOM 0 HD13 ILE A 48 13.366 -0.625 -9.875 1.00 0.62 H new ATOM 479 N ILE A 49 11.563 3.854 -13.454 1.00 1.03 N ATOM 480 CA ILE A 49 11.757 5.034 -14.346 1.00 1.28 C ATOM 481 C ILE A 49 12.956 5.816 -13.868 1.00 1.15 C ATOM 482 O ILE A 49 12.851 6.788 -13.163 1.00 1.94 O ATOM 483 CB ILE A 49 10.423 5.788 -14.261 1.00 1.52 C ATOM 484 CG1 ILE A 49 9.350 4.973 -15.003 1.00 1.78 C ATOM 485 CG2 ILE A 49 10.543 7.257 -14.743 1.00 1.79 C ATOM 486 CD1 ILE A 49 9.477 5.124 -16.519 1.00 0.41 C ATOM 0 H ILE A 49 11.322 4.100 -12.494 1.00 1.03 H new ATOM 0 HA ILE A 49 11.977 4.799 -15.387 1.00 1.28 H new ATOM 0 HB ILE A 49 10.117 5.879 -13.219 1.00 1.52 H new ATOM 0 HG12 ILE A 49 9.440 3.921 -14.733 1.00 1.78 H new ATOM 0 HG13 ILE A 49 8.360 5.300 -14.686 1.00 1.78 H new ATOM 0 HG21 ILE A 49 9.572 7.747 -14.663 1.00 1.79 H new ATOM 0 HG22 ILE A 49 11.268 7.785 -14.124 1.00 1.79 H new ATOM 0 HG23 ILE A 49 10.873 7.273 -15.782 1.00 1.79 H new ATOM 0 HD11 ILE A 49 8.703 4.534 -17.010 1.00 0.41 H new ATOM 0 HD12 ILE A 49 9.361 6.173 -16.791 1.00 0.41 H new ATOM 0 HD13 ILE A 49 10.458 4.772 -16.839 1.00 0.41 H new ATOM 498 N VAL A 50 14.110 5.393 -14.253 1.00 0.81 N ATOM 499 CA VAL A 50 15.338 6.104 -13.812 1.00 0.68 C ATOM 500 C VAL A 50 15.705 7.413 -14.548 1.00 0.53 C ATOM 501 O VAL A 50 15.834 7.424 -15.757 1.00 0.74 O ATOM 502 CB VAL A 50 16.514 5.130 -13.941 1.00 1.00 C ATOM 503 CG1 VAL A 50 17.726 5.719 -13.202 1.00 0.97 C ATOM 504 CG2 VAL A 50 16.188 3.760 -13.325 1.00 1.25 C ATOM 0 H VAL A 50 14.266 4.585 -14.855 1.00 0.81 H new ATOM 0 HA VAL A 50 15.126 6.422 -12.791 1.00 0.68 H new ATOM 0 HB VAL A 50 16.724 4.990 -15.001 1.00 1.00 H new ATOM 0 HG11 VAL A 50 18.571 5.035 -13.286 1.00 0.97 H new ATOM 0 HG12 VAL A 50 17.991 6.679 -13.645 1.00 0.97 H new ATOM 0 HG13 VAL A 50 17.477 5.861 -12.150 1.00 0.97 H new ATOM 0 HG21 VAL A 50 17.046 3.097 -13.436 1.00 1.25 H new ATOM 0 HG22 VAL A 50 15.959 3.882 -12.266 1.00 1.25 H new ATOM 0 HG23 VAL A 50 15.327 3.327 -13.835 1.00 1.25 H new ATOM 514 N LEU A 51 15.855 8.465 -13.773 1.00 0.39 N ATOM 515 CA LEU A 51 16.223 9.838 -14.235 1.00 0.43 C ATOM 516 C LEU A 51 17.302 10.262 -13.219 1.00 0.51 C ATOM 517 O LEU A 51 17.646 9.507 -12.326 1.00 0.61 O ATOM 518 CB LEU A 51 15.033 10.838 -14.125 1.00 0.37 C ATOM 519 CG LEU A 51 14.638 11.106 -12.634 1.00 0.30 C ATOM 520 CD1 LEU A 51 14.074 12.521 -12.521 1.00 0.56 C ATOM 521 CD2 LEU A 51 13.494 10.172 -12.216 1.00 0.36 C ATOM 0 H LEU A 51 15.725 8.414 -12.763 1.00 0.39 H new ATOM 0 HA LEU A 51 16.535 9.840 -15.280 1.00 0.43 H new ATOM 0 HB2 LEU A 51 15.303 11.779 -14.605 1.00 0.37 H new ATOM 0 HB3 LEU A 51 14.173 10.441 -14.664 1.00 0.37 H new ATOM 0 HG LEU A 51 15.521 10.956 -12.013 1.00 0.30 H new ATOM 0 HD11 LEU A 51 13.795 12.720 -11.486 1.00 0.56 H new ATOM 0 HD12 LEU A 51 14.829 13.240 -12.838 1.00 0.56 H new ATOM 0 HD13 LEU A 51 13.195 12.614 -13.158 1.00 0.56 H new ATOM 0 HD21 LEU A 51 13.227 10.366 -11.177 1.00 0.36 H new ATOM 0 HD22 LEU A 51 12.628 10.350 -12.853 1.00 0.36 H new ATOM 0 HD23 LEU A 51 13.814 9.135 -12.320 1.00 0.36 H new ATOM 533 N GLU A 52 17.805 11.446 -13.341 1.00 0.73 N ATOM 534 CA GLU A 52 18.842 11.899 -12.378 1.00 0.86 C ATOM 535 C GLU A 52 18.214 12.660 -11.180 1.00 0.55 C ATOM 536 O GLU A 52 17.072 12.462 -10.811 1.00 0.33 O ATOM 537 CB GLU A 52 19.809 12.753 -13.223 1.00 1.50 C ATOM 538 CG GLU A 52 20.877 11.803 -13.805 1.00 2.44 C ATOM 539 CD GLU A 52 21.951 12.565 -14.548 1.00 3.16 C ATOM 540 OE1 GLU A 52 22.311 13.632 -14.072 1.00 3.12 O ATOM 541 OE2 GLU A 52 22.391 12.051 -15.561 1.00 3.95 O ATOM 0 H GLU A 52 17.548 12.122 -14.061 1.00 0.73 H new ATOM 0 HA GLU A 52 19.373 11.073 -11.904 1.00 0.86 H new ATOM 0 HB2 GLU A 52 19.272 13.262 -14.023 1.00 1.50 H new ATOM 0 HB3 GLU A 52 20.275 13.525 -12.610 1.00 1.50 H new ATOM 0 HG2 GLU A 52 21.330 11.226 -12.999 1.00 2.44 H new ATOM 0 HG3 GLU A 52 20.403 11.090 -14.479 1.00 2.44 H new ATOM 548 N LYS A 53 19.048 13.471 -10.595 1.00 0.96 N ATOM 549 CA LYS A 53 18.744 14.371 -9.430 1.00 1.07 C ATOM 550 C LYS A 53 17.315 14.953 -9.552 1.00 1.15 C ATOM 551 O LYS A 53 16.704 14.853 -10.590 1.00 1.41 O ATOM 552 CB LYS A 53 19.823 15.500 -9.437 1.00 1.42 C ATOM 553 CG LYS A 53 20.674 15.540 -8.148 1.00 2.21 C ATOM 554 CD LYS A 53 21.453 14.225 -7.995 1.00 3.34 C ATOM 555 CE LYS A 53 22.248 14.250 -6.687 1.00 4.03 C ATOM 556 NZ LYS A 53 22.859 12.900 -6.536 1.00 5.31 N ATOM 0 H LYS A 53 20.016 13.555 -10.904 1.00 0.96 H new ATOM 0 HA LYS A 53 18.777 13.822 -8.489 1.00 1.07 H new ATOM 0 HB2 LYS A 53 20.481 15.359 -10.294 1.00 1.42 H new ATOM 0 HB3 LYS A 53 19.330 16.463 -9.569 1.00 1.42 H new ATOM 0 HG2 LYS A 53 21.367 16.381 -8.185 1.00 2.21 H new ATOM 0 HG3 LYS A 53 20.031 15.695 -7.282 1.00 2.21 H new ATOM 0 HD2 LYS A 53 20.765 13.380 -7.998 1.00 3.34 H new ATOM 0 HD3 LYS A 53 22.128 14.090 -8.840 1.00 3.34 H new ATOM 0 HE2 LYS A 53 23.017 15.022 -6.715 1.00 4.03 H new ATOM 0 HE3 LYS A 53 21.598 14.478 -5.842 1.00 4.03 H new ATOM 0 HZ1 LYS A 53 22.615 12.511 -5.603 1.00 5.31 H new ATOM 0 HZ2 LYS A 53 22.496 12.270 -7.279 1.00 5.31 H new ATOM 0 HZ3 LYS A 53 23.893 12.975 -6.620 1.00 5.31 H new ATOM 570 N GLN A 54 16.826 15.565 -8.508 1.00 1.02 N ATOM 571 CA GLN A 54 15.444 16.175 -8.475 1.00 1.05 C ATOM 572 C GLN A 54 14.953 16.962 -9.736 1.00 0.95 C ATOM 573 O GLN A 54 14.763 18.159 -9.703 1.00 1.25 O ATOM 574 CB GLN A 54 15.403 17.091 -7.214 1.00 1.35 C ATOM 575 CG GLN A 54 16.628 18.075 -7.221 1.00 2.48 C ATOM 576 CD GLN A 54 17.699 17.618 -6.233 1.00 3.00 C ATOM 577 OE1 GLN A 54 18.238 16.540 -6.325 1.00 3.03 O ATOM 578 NE2 GLN A 54 18.054 18.393 -5.265 1.00 3.86 N ATOM 0 H GLN A 54 17.343 15.677 -7.636 1.00 1.02 H new ATOM 0 HA GLN A 54 14.745 15.339 -8.452 1.00 1.05 H new ATOM 0 HB2 GLN A 54 14.472 17.657 -7.197 1.00 1.35 H new ATOM 0 HB3 GLN A 54 15.422 16.481 -6.311 1.00 1.35 H new ATOM 0 HG2 GLN A 54 17.051 18.128 -8.224 1.00 2.48 H new ATOM 0 HG3 GLN A 54 16.294 19.080 -6.963 1.00 2.48 H new ATOM 0 HE21 GLN A 54 17.619 19.309 -5.159 1.00 3.86 H new ATOM 0 HE22 GLN A 54 18.770 18.090 -4.605 1.00 3.86 H new ATOM 587 N ALA A 55 14.771 16.248 -10.813 1.00 0.59 N ATOM 588 CA ALA A 55 14.301 16.796 -12.127 1.00 0.58 C ATOM 589 C ALA A 55 12.852 16.336 -12.428 1.00 0.32 C ATOM 590 O ALA A 55 12.640 15.170 -12.720 1.00 1.18 O ATOM 591 CB ALA A 55 15.309 16.293 -13.170 1.00 0.84 C ATOM 0 H ALA A 55 14.940 15.242 -10.838 1.00 0.59 H new ATOM 0 HA ALA A 55 14.262 17.885 -12.130 1.00 0.58 H new ATOM 0 HB1 ALA A 55 15.024 16.658 -14.157 1.00 0.84 H new ATOM 0 HB2 ALA A 55 16.305 16.660 -12.921 1.00 0.84 H new ATOM 0 HB3 ALA A 55 15.315 15.203 -13.174 1.00 0.84 H new ATOM 597 N VAL A 56 11.877 17.218 -12.372 1.00 0.65 N ATOM 598 CA VAL A 56 10.463 16.754 -12.663 1.00 0.61 C ATOM 599 C VAL A 56 9.763 17.440 -13.842 1.00 1.15 C ATOM 600 O VAL A 56 8.589 17.277 -14.125 1.00 1.58 O ATOM 601 CB VAL A 56 9.704 16.941 -11.347 1.00 1.93 C ATOM 602 CG1 VAL A 56 9.295 18.416 -11.226 1.00 3.38 C ATOM 603 CG2 VAL A 56 8.494 15.976 -11.288 1.00 2.27 C ATOM 0 H VAL A 56 11.984 18.207 -12.146 1.00 0.65 H new ATOM 0 HA VAL A 56 10.487 15.717 -12.998 1.00 0.61 H new ATOM 0 HB VAL A 56 10.337 16.694 -10.495 1.00 1.93 H new ATOM 0 HG11 VAL A 56 8.752 18.568 -10.293 1.00 3.38 H new ATOM 0 HG12 VAL A 56 10.187 19.043 -11.233 1.00 3.38 H new ATOM 0 HG13 VAL A 56 8.655 18.686 -12.066 1.00 3.38 H new ATOM 0 HG21 VAL A 56 7.961 16.118 -10.348 1.00 2.27 H new ATOM 0 HG22 VAL A 56 7.822 16.184 -12.121 1.00 2.27 H new ATOM 0 HG23 VAL A 56 8.846 14.947 -11.354 1.00 2.27 H new ATOM 613 N ASP A 57 10.594 18.178 -14.495 1.00 1.89 N ATOM 614 CA ASP A 57 10.267 18.994 -15.718 1.00 2.93 C ATOM 615 C ASP A 57 10.113 18.069 -16.973 1.00 3.45 C ATOM 616 O ASP A 57 10.506 18.330 -18.092 1.00 4.68 O ATOM 617 CB ASP A 57 11.433 20.013 -15.825 1.00 3.42 C ATOM 618 CG ASP A 57 11.495 20.853 -14.550 1.00 3.10 C ATOM 619 OD1 ASP A 57 12.064 20.321 -13.602 1.00 2.60 O ATOM 620 OD2 ASP A 57 10.970 21.955 -14.612 1.00 3.92 O ATOM 0 H ASP A 57 11.572 18.264 -14.217 1.00 1.89 H new ATOM 0 HA ASP A 57 9.312 19.516 -15.654 1.00 2.93 H new ATOM 0 HB2 ASP A 57 12.377 19.488 -15.973 1.00 3.42 H new ATOM 0 HB3 ASP A 57 11.288 20.658 -16.691 1.00 3.42 H new ATOM 625 N ASN A 58 9.505 16.964 -16.667 1.00 2.72 N ATOM 626 CA ASN A 58 9.172 15.841 -17.592 1.00 3.37 C ATOM 627 C ASN A 58 7.828 15.257 -17.059 1.00 2.19 C ATOM 628 O ASN A 58 7.510 14.092 -17.205 1.00 2.89 O ATOM 629 CB ASN A 58 10.351 14.874 -17.492 1.00 4.72 C ATOM 630 CG ASN A 58 10.573 14.571 -16.012 1.00 4.38 C ATOM 631 OD1 ASN A 58 9.793 13.910 -15.359 1.00 4.33 O ATOM 632 ND2 ASN A 58 11.619 15.029 -15.400 1.00 4.31 N ATOM 0 H ASN A 58 9.194 16.777 -15.714 1.00 2.72 H new ATOM 0 HA ASN A 58 9.036 16.102 -18.642 1.00 3.37 H new ATOM 0 HB2 ASN A 58 10.143 13.957 -18.044 1.00 4.72 H new ATOM 0 HB3 ASN A 58 11.246 15.314 -17.932 1.00 4.72 H new ATOM 0 HD21 ASN A 58 11.759 14.829 -14.410 1.00 4.31 H new ATOM 0 HD22 ASN A 58 12.303 15.590 -15.908 1.00 4.31 H new ATOM 639 N ALA A 59 7.105 16.157 -16.441 1.00 0.73 N ATOM 640 CA ALA A 59 5.777 15.892 -15.822 1.00 1.45 C ATOM 641 C ALA A 59 4.740 15.413 -16.858 1.00 1.28 C ATOM 642 O ALA A 59 3.848 16.110 -17.289 1.00 2.07 O ATOM 643 CB ALA A 59 5.407 17.207 -15.128 1.00 2.36 C ATOM 0 H ALA A 59 7.408 17.126 -16.338 1.00 0.73 H new ATOM 0 HA ALA A 59 5.802 15.072 -15.105 1.00 1.45 H new ATOM 0 HB1 ALA A 59 4.437 17.102 -14.643 1.00 2.36 H new ATOM 0 HB2 ALA A 59 6.162 17.449 -14.380 1.00 2.36 H new ATOM 0 HB3 ALA A 59 5.358 18.007 -15.867 1.00 2.36 H new ATOM 649 N TYR A 60 4.965 14.179 -17.199 1.00 0.56 N ATOM 650 CA TYR A 60 4.171 13.391 -18.174 1.00 0.90 C ATOM 651 C TYR A 60 2.868 12.824 -17.585 1.00 0.97 C ATOM 652 O TYR A 60 2.431 13.233 -16.526 1.00 1.01 O ATOM 653 CB TYR A 60 5.187 12.328 -18.646 1.00 1.26 C ATOM 654 CG TYR A 60 5.843 11.528 -17.478 1.00 0.71 C ATOM 655 CD1 TYR A 60 5.270 11.371 -16.220 1.00 1.25 C ATOM 656 CD2 TYR A 60 7.079 10.947 -17.699 1.00 1.41 C ATOM 657 CE1 TYR A 60 5.919 10.655 -15.229 1.00 1.41 C ATOM 658 CE2 TYR A 60 7.722 10.233 -16.701 1.00 1.17 C ATOM 659 CZ TYR A 60 7.144 10.086 -15.463 1.00 0.54 C ATOM 660 OH TYR A 60 7.790 9.371 -14.476 1.00 1.00 O ATOM 0 H TYR A 60 5.737 13.644 -16.802 1.00 0.56 H new ATOM 0 HA TYR A 60 3.781 13.984 -19.002 1.00 0.90 H new ATOM 0 HB2 TYR A 60 4.685 11.630 -19.316 1.00 1.26 H new ATOM 0 HB3 TYR A 60 5.970 12.818 -19.224 1.00 1.26 H new ATOM 0 HD1 TYR A 60 4.307 11.813 -16.014 1.00 1.25 H new ATOM 0 HD2 TYR A 60 7.550 11.052 -18.665 1.00 1.41 H new ATOM 0 HE1 TYR A 60 5.455 10.543 -14.260 1.00 1.41 H new ATOM 0 HE2 TYR A 60 8.686 9.788 -16.898 1.00 1.17 H new ATOM 0 HH TYR A 60 8.713 9.690 -14.392 1.00 1.00 H new ATOM 670 N ALA A 61 2.281 11.903 -18.297 1.00 1.31 N ATOM 671 CA ALA A 61 1.016 11.284 -17.814 1.00 1.41 C ATOM 672 C ALA A 61 1.019 10.902 -16.306 1.00 0.92 C ATOM 673 O ALA A 61 2.027 10.549 -15.718 1.00 1.10 O ATOM 674 CB ALA A 61 0.761 10.061 -18.700 1.00 1.86 C ATOM 0 H ALA A 61 2.622 11.552 -19.192 1.00 1.31 H new ATOM 0 HA ALA A 61 0.215 12.019 -17.892 1.00 1.41 H new ATOM 0 HB1 ALA A 61 -0.160 9.569 -18.385 1.00 1.86 H new ATOM 0 HB2 ALA A 61 0.667 10.378 -19.739 1.00 1.86 H new ATOM 0 HB3 ALA A 61 1.594 9.364 -18.607 1.00 1.86 H new ATOM 680 N GLU A 62 -0.181 11.011 -15.804 1.00 0.92 N ATOM 681 CA GLU A 62 -0.547 10.732 -14.385 1.00 0.70 C ATOM 682 C GLU A 62 0.007 9.478 -13.679 1.00 0.61 C ATOM 683 O GLU A 62 0.621 8.596 -14.249 1.00 0.81 O ATOM 684 CB GLU A 62 -2.091 10.712 -14.322 1.00 1.25 C ATOM 685 CG GLU A 62 -2.690 12.112 -14.694 1.00 2.23 C ATOM 686 CD GLU A 62 -4.214 12.183 -14.459 1.00 3.90 C ATOM 687 OE1 GLU A 62 -4.769 11.234 -13.924 1.00 4.45 O ATOM 688 OE2 GLU A 62 -4.748 13.215 -14.835 1.00 4.96 O ATOM 0 H GLU A 62 -0.980 11.305 -16.366 1.00 0.92 H new ATOM 0 HA GLU A 62 -0.057 11.526 -13.822 1.00 0.70 H new ATOM 0 HB2 GLU A 62 -2.476 9.955 -15.005 1.00 1.25 H new ATOM 0 HB3 GLU A 62 -2.413 10.430 -13.320 1.00 1.25 H new ATOM 0 HG2 GLU A 62 -2.198 12.883 -14.102 1.00 2.23 H new ATOM 0 HG3 GLU A 62 -2.476 12.329 -15.741 1.00 2.23 H new ATOM 695 N TYR A 63 -0.284 9.491 -12.404 1.00 0.48 N ATOM 696 CA TYR A 63 0.138 8.396 -11.494 1.00 0.45 C ATOM 697 C TYR A 63 -0.046 6.984 -12.060 1.00 0.41 C ATOM 698 O TYR A 63 -1.105 6.567 -12.495 1.00 0.35 O ATOM 699 CB TYR A 63 -0.656 8.484 -10.161 1.00 0.50 C ATOM 700 CG TYR A 63 -0.313 7.213 -9.355 1.00 0.46 C ATOM 701 CD1 TYR A 63 0.943 7.072 -8.819 1.00 0.63 C ATOM 702 CD2 TYR A 63 -1.230 6.194 -9.179 1.00 1.35 C ATOM 703 CE1 TYR A 63 1.300 5.944 -8.120 1.00 0.67 C ATOM 704 CE2 TYR A 63 -0.878 5.054 -8.475 1.00 1.31 C ATOM 705 CZ TYR A 63 0.388 4.933 -7.941 1.00 0.37 C ATOM 706 OH TYR A 63 0.744 3.829 -7.202 1.00 0.35 O ATOM 0 H TYR A 63 -0.810 10.237 -11.949 1.00 0.48 H new ATOM 0 HA TYR A 63 1.208 8.545 -11.349 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -0.381 9.380 -9.605 1.00 0.50 H new ATOM 0 HB3 TYR A 63 -1.727 8.544 -10.352 1.00 0.50 H new ATOM 0 HD1 TYR A 63 1.666 7.864 -8.949 1.00 0.63 H new ATOM 0 HD2 TYR A 63 -2.224 6.287 -9.591 1.00 1.35 H new ATOM 0 HE1 TYR A 63 2.296 5.853 -7.712 1.00 0.67 H new ATOM 0 HE2 TYR A 63 -1.596 4.258 -8.344 1.00 1.31 H new ATOM 0 HH TYR A 63 -0.053 3.449 -6.776 1.00 0.35 H new ATOM 716 N ARG A 64 1.038 6.276 -12.024 1.00 0.51 N ATOM 717 CA ARG A 64 1.020 4.880 -12.526 1.00 0.48 C ATOM 718 C ARG A 64 1.510 3.950 -11.434 1.00 0.51 C ATOM 719 O ARG A 64 2.694 3.842 -11.195 1.00 0.66 O ATOM 720 CB ARG A 64 1.916 4.756 -13.746 1.00 0.45 C ATOM 721 CG ARG A 64 1.129 5.169 -14.999 1.00 0.57 C ATOM 722 CD ARG A 64 1.987 4.813 -16.192 1.00 0.72 C ATOM 723 NE ARG A 64 2.197 3.318 -16.175 1.00 1.67 N ATOM 724 CZ ARG A 64 2.210 2.581 -17.221 1.00 2.65 C ATOM 725 NH1 ARG A 64 2.531 3.043 -18.365 1.00 3.05 N ATOM 726 NH2 ARG A 64 1.897 1.367 -17.047 1.00 3.75 N ATOM 0 H ARG A 64 1.937 6.601 -11.669 1.00 0.51 H new ATOM 0 HA ARG A 64 0.002 4.610 -12.807 1.00 0.48 H new ATOM 0 HB2 ARG A 64 2.796 5.389 -13.631 1.00 0.45 H new ATOM 0 HB3 ARG A 64 2.271 3.731 -13.848 1.00 0.45 H new ATOM 0 HG2 ARG A 64 0.172 4.650 -15.043 1.00 0.57 H new ATOM 0 HG3 ARG A 64 0.912 6.237 -14.984 1.00 0.57 H new ATOM 0 HD2 ARG A 64 1.501 5.121 -17.118 1.00 0.72 H new ATOM 0 HD3 ARG A 64 2.943 5.334 -16.145 1.00 0.72 H new ATOM 0 HE ARG A 64 2.338 2.866 -15.271 1.00 1.67 H new ATOM 0 HH11 ARG A 64 2.787 4.025 -18.465 1.00 3.05 H new ATOM 0 HH12 ARG A 64 2.532 2.430 -19.180 1.00 3.05 H new ATOM 0 HH21 ARG A 64 1.655 1.031 -16.115 1.00 3.75 H new ATOM 0 HH22 ARG A 64 1.887 0.724 -17.839 1.00 3.75 H new ATOM 740 N ILE A 65 0.606 3.282 -10.796 1.00 0.47 N ATOM 741 CA ILE A 65 0.983 2.339 -9.705 1.00 0.46 C ATOM 742 C ILE A 65 1.930 1.213 -10.142 1.00 0.39 C ATOM 743 O ILE A 65 2.301 0.383 -9.344 1.00 0.50 O ATOM 744 CB ILE A 65 -0.334 1.784 -9.107 1.00 0.49 C ATOM 745 CG1 ILE A 65 -0.123 0.743 -8.015 1.00 0.50 C ATOM 746 CG2 ILE A 65 -1.262 1.327 -10.204 1.00 0.52 C ATOM 747 CD1 ILE A 65 -1.394 0.728 -7.127 1.00 0.53 C ATOM 0 H ILE A 65 -0.395 3.345 -10.981 1.00 0.47 H new ATOM 0 HA ILE A 65 1.559 2.884 -8.957 1.00 0.46 H new ATOM 0 HB ILE A 65 -0.823 2.608 -8.587 1.00 0.49 H new ATOM 0 HG12 ILE A 65 0.050 -0.240 -8.452 1.00 0.50 H new ATOM 0 HG13 ILE A 65 0.757 0.986 -7.419 1.00 0.50 H new ATOM 0 HG21 ILE A 65 -2.182 0.940 -9.765 1.00 0.52 H new ATOM 0 HG22 ILE A 65 -1.497 2.168 -10.856 1.00 0.52 H new ATOM 0 HG23 ILE A 65 -0.779 0.541 -10.785 1.00 0.52 H new ATOM 0 HD11 ILE A 65 -1.275 -0.009 -6.333 1.00 0.53 H new ATOM 0 HD12 ILE A 65 -1.542 1.714 -6.687 1.00 0.53 H new ATOM 0 HD13 ILE A 65 -2.260 0.469 -7.736 1.00 0.53 H new ATOM 759 N ASP A 66 2.309 1.209 -11.382 1.00 0.25 N ATOM 760 CA ASP A 66 3.231 0.172 -11.912 1.00 0.28 C ATOM 761 C ASP A 66 4.625 0.789 -12.180 1.00 0.22 C ATOM 762 O ASP A 66 5.597 0.084 -12.350 1.00 0.15 O ATOM 763 CB ASP A 66 2.626 -0.367 -13.195 1.00 0.38 C ATOM 764 CG ASP A 66 2.464 0.764 -14.172 1.00 0.62 C ATOM 765 OD1 ASP A 66 1.505 1.513 -14.149 1.00 1.02 O ATOM 766 OD2 ASP A 66 3.351 0.893 -14.979 1.00 1.67 O ATOM 0 H ASP A 66 2.011 1.900 -12.071 1.00 0.25 H new ATOM 0 HA ASP A 66 3.360 -0.635 -11.191 1.00 0.28 H new ATOM 0 HB2 ASP A 66 3.267 -1.141 -13.618 1.00 0.38 H new ATOM 0 HB3 ASP A 66 1.660 -0.829 -12.991 1.00 0.38 H new ATOM 771 N ARG A 67 4.711 2.095 -12.192 1.00 0.36 N ATOM 772 CA ARG A 67 6.053 2.755 -12.463 1.00 0.34 C ATOM 773 C ARG A 67 6.831 3.204 -11.213 1.00 0.26 C ATOM 774 O ARG A 67 6.226 3.403 -10.188 1.00 0.39 O ATOM 775 CB ARG A 67 5.792 3.972 -13.352 1.00 0.54 C ATOM 776 CG ARG A 67 5.153 3.521 -14.677 1.00 1.33 C ATOM 777 CD ARG A 67 5.798 4.258 -15.840 1.00 0.91 C ATOM 778 NE ARG A 67 5.393 5.685 -15.641 1.00 0.58 N ATOM 779 CZ ARG A 67 6.211 6.646 -15.529 1.00 0.81 C ATOM 780 NH1 ARG A 67 6.824 7.015 -16.572 1.00 2.00 N ATOM 781 NH2 ARG A 67 6.324 7.159 -14.366 1.00 2.23 N ATOM 0 H ARG A 67 3.933 2.735 -12.031 1.00 0.36 H new ATOM 0 HA ARG A 67 6.685 2.002 -12.935 1.00 0.34 H new ATOM 0 HB2 ARG A 67 5.133 4.673 -12.840 1.00 0.54 H new ATOM 0 HB3 ARG A 67 6.726 4.498 -13.548 1.00 0.54 H new ATOM 0 HG2 ARG A 67 5.277 2.445 -14.803 1.00 1.33 H new ATOM 0 HG3 ARG A 67 4.081 3.718 -14.660 1.00 1.33 H new ATOM 0 HD2 ARG A 67 6.882 4.147 -15.830 1.00 0.91 H new ATOM 0 HD3 ARG A 67 5.447 3.874 -16.798 1.00 0.91 H new ATOM 0 HE ARG A 67 4.396 5.897 -15.593 1.00 0.58 H new ATOM 0 HH11 ARG A 67 6.651 6.543 -17.459 1.00 2.00 H new ATOM 0 HH12 ARG A 67 7.491 7.785 -16.526 1.00 2.00 H new ATOM 0 HH21 ARG A 67 5.772 6.792 -13.591 1.00 2.23 H new ATOM 0 HH22 ARG A 67 6.967 7.936 -14.212 1.00 2.23 H new ATOM 795 N VAL A 68 8.136 3.313 -11.322 1.00 0.18 N ATOM 796 CA VAL A 68 8.982 3.775 -10.137 1.00 0.21 C ATOM 797 C VAL A 68 10.099 4.760 -10.517 1.00 0.55 C ATOM 798 O VAL A 68 11.217 4.380 -10.812 1.00 1.23 O ATOM 799 CB VAL A 68 9.655 2.563 -9.352 1.00 0.16 C ATOM 800 CG1 VAL A 68 10.551 3.171 -8.164 1.00 0.28 C ATOM 801 CG2 VAL A 68 8.534 1.752 -8.634 1.00 0.16 C ATOM 0 H VAL A 68 8.663 3.106 -12.170 1.00 0.18 H new ATOM 0 HA VAL A 68 8.263 4.285 -9.496 1.00 0.21 H new ATOM 0 HB VAL A 68 10.231 1.953 -10.049 1.00 0.16 H new ATOM 0 HG11 VAL A 68 11.023 2.358 -7.611 1.00 0.28 H new ATOM 0 HG12 VAL A 68 11.320 3.819 -8.584 1.00 0.28 H new ATOM 0 HG13 VAL A 68 9.918 3.749 -7.490 1.00 0.28 H new ATOM 0 HG21 VAL A 68 8.979 0.918 -8.092 1.00 0.16 H new ATOM 0 HG22 VAL A 68 8.007 2.401 -7.934 1.00 0.16 H new ATOM 0 HG23 VAL A 68 7.831 1.370 -9.374 1.00 0.16 H new ATOM 811 N ARG A 69 9.736 6.014 -10.509 1.00 0.53 N ATOM 812 CA ARG A 69 10.682 7.122 -10.843 1.00 0.84 C ATOM 813 C ARG A 69 11.933 6.987 -9.956 1.00 0.75 C ATOM 814 O ARG A 69 11.822 6.995 -8.746 1.00 0.70 O ATOM 815 CB ARG A 69 10.013 8.506 -10.562 1.00 1.15 C ATOM 816 CG ARG A 69 8.954 8.880 -11.613 1.00 1.25 C ATOM 817 CD ARG A 69 8.652 10.394 -11.448 1.00 1.43 C ATOM 818 NE ARG A 69 9.813 11.187 -11.994 1.00 1.30 N ATOM 819 CZ ARG A 69 9.728 11.932 -13.027 1.00 1.14 C ATOM 820 NH1 ARG A 69 8.714 12.674 -13.210 1.00 2.03 N ATOM 821 NH2 ARG A 69 10.669 11.922 -13.877 1.00 1.02 N ATOM 0 H ARG A 69 8.793 6.327 -10.278 1.00 0.53 H new ATOM 0 HA ARG A 69 10.950 7.061 -11.898 1.00 0.84 H new ATOM 0 HB2 ARG A 69 9.549 8.487 -9.576 1.00 1.15 H new ATOM 0 HB3 ARG A 69 10.782 9.278 -10.537 1.00 1.15 H new ATOM 0 HG2 ARG A 69 9.319 8.669 -12.618 1.00 1.25 H new ATOM 0 HG3 ARG A 69 8.048 8.290 -11.472 1.00 1.25 H new ATOM 0 HD2 ARG A 69 7.735 10.655 -11.977 1.00 1.43 H new ATOM 0 HD3 ARG A 69 8.493 10.634 -10.397 1.00 1.43 H new ATOM 0 HE ARG A 69 10.711 11.125 -11.514 1.00 1.30 H new ATOM 0 HH11 ARG A 69 7.956 12.679 -12.528 1.00 2.03 H new ATOM 0 HH12 ARG A 69 8.658 13.265 -14.039 1.00 2.03 H new ATOM 0 HH21 ARG A 69 11.482 11.323 -13.731 1.00 1.02 H new ATOM 0 HH22 ARG A 69 10.613 12.513 -14.707 1.00 1.02 H new ATOM 835 N LEU A 70 13.096 6.882 -10.530 1.00 0.73 N ATOM 836 CA LEU A 70 14.357 6.751 -9.727 1.00 0.61 C ATOM 837 C LEU A 70 15.173 8.020 -9.943 1.00 0.58 C ATOM 838 O LEU A 70 15.311 8.464 -11.061 1.00 0.71 O ATOM 839 CB LEU A 70 15.221 5.511 -10.187 1.00 0.57 C ATOM 840 CG LEU A 70 15.389 4.528 -8.987 1.00 0.44 C ATOM 841 CD1 LEU A 70 16.021 3.137 -9.339 1.00 0.40 C ATOM 842 CD2 LEU A 70 16.437 5.191 -8.113 1.00 0.47 C ATOM 0 H LEU A 70 13.236 6.881 -11.540 1.00 0.73 H new ATOM 0 HA LEU A 70 14.095 6.605 -8.679 1.00 0.61 H new ATOM 0 HB2 LEU A 70 14.736 5.005 -11.022 1.00 0.57 H new ATOM 0 HB3 LEU A 70 16.197 5.844 -10.539 1.00 0.57 H new ATOM 0 HG LEU A 70 14.399 4.348 -8.568 1.00 0.44 H new ATOM 0 HD11 LEU A 70 16.093 2.531 -8.436 1.00 0.40 H new ATOM 0 HD12 LEU A 70 15.393 2.626 -10.069 1.00 0.40 H new ATOM 0 HD13 LEU A 70 17.017 3.285 -9.757 1.00 0.40 H new ATOM 0 HD21 LEU A 70 16.625 4.571 -7.237 1.00 0.47 H new ATOM 0 HD22 LEU A 70 17.361 5.309 -8.679 1.00 0.47 H new ATOM 0 HD23 LEU A 70 16.079 6.170 -7.794 1.00 0.47 H new ATOM 854 N ALA A 71 15.701 8.565 -8.886 1.00 0.43 N ATOM 855 CA ALA A 71 16.514 9.803 -9.012 1.00 0.38 C ATOM 856 C ALA A 71 17.970 9.461 -8.593 1.00 0.39 C ATOM 857 O ALA A 71 18.321 9.425 -7.426 1.00 0.40 O ATOM 858 CB ALA A 71 15.902 10.867 -8.097 1.00 0.39 C ATOM 0 H ALA A 71 15.604 8.205 -7.937 1.00 0.43 H new ATOM 0 HA ALA A 71 16.524 10.187 -10.032 1.00 0.38 H new ATOM 0 HB1 ALA A 71 16.481 11.787 -8.171 1.00 0.39 H new ATOM 0 HB2 ALA A 71 14.873 11.060 -8.401 1.00 0.39 H new ATOM 0 HB3 ALA A 71 15.915 10.512 -7.067 1.00 0.39 H new ATOM 864 N VAL A 72 18.776 9.207 -9.575 1.00 0.38 N ATOM 865 CA VAL A 72 20.223 8.862 -9.360 1.00 0.39 C ATOM 866 C VAL A 72 21.060 10.089 -9.746 1.00 0.48 C ATOM 867 O VAL A 72 20.543 11.100 -10.176 1.00 0.71 O ATOM 868 CB VAL A 72 20.641 7.697 -10.272 1.00 0.37 C ATOM 869 CG1 VAL A 72 19.996 6.429 -9.797 1.00 0.30 C ATOM 870 CG2 VAL A 72 20.088 7.909 -11.660 1.00 0.46 C ATOM 0 H VAL A 72 18.493 9.222 -10.555 1.00 0.38 H new ATOM 0 HA VAL A 72 20.376 8.576 -8.319 1.00 0.39 H new ATOM 0 HB VAL A 72 21.730 7.643 -10.262 1.00 0.37 H new ATOM 0 HG11 VAL A 72 20.294 5.605 -10.445 1.00 0.30 H new ATOM 0 HG12 VAL A 72 20.313 6.220 -8.775 1.00 0.30 H new ATOM 0 HG13 VAL A 72 18.912 6.539 -9.825 1.00 0.30 H new ATOM 0 HG21 VAL A 72 20.388 7.080 -12.302 1.00 0.46 H new ATOM 0 HG22 VAL A 72 19.000 7.958 -11.615 1.00 0.46 H new ATOM 0 HG23 VAL A 72 20.476 8.842 -12.068 1.00 0.46 H new ATOM 880 N ASP A 73 22.342 10.001 -9.585 1.00 0.35 N ATOM 881 CA ASP A 73 23.235 11.134 -9.941 1.00 0.40 C ATOM 882 C ASP A 73 24.019 10.719 -11.218 1.00 0.42 C ATOM 883 O ASP A 73 23.548 10.013 -12.090 1.00 0.44 O ATOM 884 CB ASP A 73 24.138 11.350 -8.709 1.00 0.38 C ATOM 885 CG ASP A 73 25.267 10.346 -8.758 1.00 0.35 C ATOM 886 OD1 ASP A 73 24.957 9.182 -8.931 1.00 1.00 O ATOM 887 OD2 ASP A 73 26.376 10.831 -8.641 1.00 1.41 O ATOM 0 H ASP A 73 22.820 9.179 -9.216 1.00 0.35 H new ATOM 0 HA ASP A 73 22.722 12.068 -10.169 1.00 0.40 H new ATOM 0 HB2 ASP A 73 24.534 12.365 -8.704 1.00 0.38 H new ATOM 0 HB3 ASP A 73 23.562 11.228 -7.792 1.00 0.38 H new ATOM 892 N LYS A 74 25.224 11.204 -11.267 1.00 0.43 N ATOM 893 CA LYS A 74 26.151 10.942 -12.382 1.00 0.46 C ATOM 894 C LYS A 74 26.914 9.598 -12.237 1.00 0.41 C ATOM 895 O LYS A 74 27.518 9.127 -13.178 1.00 0.46 O ATOM 896 CB LYS A 74 27.150 12.117 -12.446 1.00 0.47 C ATOM 897 CG LYS A 74 26.486 13.522 -12.421 1.00 0.72 C ATOM 898 CD LYS A 74 25.299 13.654 -13.400 1.00 1.75 C ATOM 899 CE LYS A 74 25.666 13.253 -14.822 1.00 3.04 C ATOM 900 NZ LYS A 74 24.497 13.597 -15.680 1.00 4.11 N ATOM 0 H LYS A 74 25.616 11.801 -10.539 1.00 0.43 H new ATOM 0 HA LYS A 74 25.572 10.859 -13.301 1.00 0.46 H new ATOM 0 HB2 LYS A 74 27.840 12.039 -11.605 1.00 0.47 H new ATOM 0 HB3 LYS A 74 27.744 12.025 -13.355 1.00 0.47 H new ATOM 0 HG2 LYS A 74 26.139 13.734 -11.410 1.00 0.72 H new ATOM 0 HG3 LYS A 74 27.235 14.275 -12.666 1.00 0.72 H new ATOM 0 HD2 LYS A 74 24.475 13.031 -13.052 1.00 1.75 H new ATOM 0 HD3 LYS A 74 24.943 14.684 -13.397 1.00 1.75 H new ATOM 0 HE2 LYS A 74 26.559 13.782 -15.155 1.00 3.04 H new ATOM 0 HE3 LYS A 74 25.887 12.187 -14.879 1.00 3.04 H new ATOM 0 HZ1 LYS A 74 23.966 12.732 -15.906 1.00 4.11 H new ATOM 0 HZ2 LYS A 74 23.878 14.261 -15.173 1.00 4.11 H new ATOM 0 HZ3 LYS A 74 24.831 14.038 -16.561 1.00 4.11 H new ATOM 914 N LEU A 75 26.863 9.037 -11.067 1.00 0.33 N ATOM 915 CA LEU A 75 27.550 7.751 -10.738 1.00 0.31 C ATOM 916 C LEU A 75 26.492 6.734 -10.312 1.00 0.31 C ATOM 917 O LEU A 75 26.606 6.086 -9.289 1.00 0.37 O ATOM 918 CB LEU A 75 28.514 8.099 -9.623 1.00 0.36 C ATOM 919 CG LEU A 75 29.430 9.257 -10.005 1.00 0.47 C ATOM 920 CD1 LEU A 75 29.976 9.807 -8.687 1.00 0.68 C ATOM 921 CD2 LEU A 75 30.541 8.707 -10.890 1.00 0.33 C ATOM 0 H LEU A 75 26.347 9.435 -10.282 1.00 0.33 H new ATOM 0 HA LEU A 75 28.091 7.305 -11.573 1.00 0.31 H new ATOM 0 HB2 LEU A 75 27.953 8.361 -8.726 1.00 0.36 H new ATOM 0 HB3 LEU A 75 29.117 7.225 -9.378 1.00 0.36 H new ATOM 0 HG LEU A 75 28.924 10.049 -10.558 1.00 0.47 H new ATOM 0 HD11 LEU A 75 30.644 10.644 -8.891 1.00 0.68 H new ATOM 0 HD12 LEU A 75 29.149 10.146 -8.064 1.00 0.68 H new ATOM 0 HD13 LEU A 75 30.526 9.023 -8.166 1.00 0.68 H new ATOM 0 HD21 LEU A 75 31.211 9.517 -11.178 1.00 0.33 H new ATOM 0 HD22 LEU A 75 31.101 7.949 -10.342 1.00 0.33 H new ATOM 0 HD23 LEU A 75 30.106 8.261 -11.784 1.00 0.33 H new ATOM 933 N ASP A 76 25.501 6.697 -11.154 1.00 0.29 N ATOM 934 CA ASP A 76 24.304 5.807 -11.024 1.00 0.34 C ATOM 935 C ASP A 76 23.964 5.390 -9.572 1.00 0.39 C ATOM 936 O ASP A 76 23.565 4.274 -9.318 1.00 0.42 O ATOM 937 CB ASP A 76 24.512 4.521 -11.916 1.00 0.37 C ATOM 938 CG ASP A 76 25.698 3.662 -11.485 1.00 0.94 C ATOM 939 OD1 ASP A 76 26.788 4.171 -11.653 1.00 0.48 O ATOM 940 OD2 ASP A 76 25.452 2.557 -11.023 1.00 2.28 O ATOM 0 H ASP A 76 25.469 7.288 -11.985 1.00 0.29 H new ATOM 0 HA ASP A 76 23.451 6.393 -11.367 1.00 0.34 H new ATOM 0 HB2 ASP A 76 23.606 3.916 -11.883 1.00 0.37 H new ATOM 0 HB3 ASP A 76 24.654 4.827 -12.952 1.00 0.37 H new ATOM 945 N ASN A 77 24.125 6.301 -8.648 1.00 0.37 N ATOM 946 CA ASN A 77 23.807 5.970 -7.234 1.00 0.35 C ATOM 947 C ASN A 77 22.599 6.846 -6.888 1.00 0.40 C ATOM 948 O ASN A 77 22.495 8.000 -7.274 1.00 0.63 O ATOM 949 CB ASN A 77 25.055 6.256 -6.322 1.00 0.24 C ATOM 950 CG ASN A 77 25.638 7.662 -6.375 1.00 1.06 C ATOM 951 OD1 ASN A 77 26.585 7.918 -7.203 1.00 1.86 O flip ATOM 952 ND2 ASN A 77 25.251 8.557 -5.658 1.00 0.93 N flip ATOM 0 H ASN A 77 24.460 7.250 -8.812 1.00 0.37 H new ATOM 0 HA ASN A 77 23.571 4.917 -7.078 1.00 0.35 H new ATOM 0 HB2 ASN A 77 24.777 6.042 -5.290 1.00 0.24 H new ATOM 0 HB3 ASN A 77 25.842 5.552 -6.593 1.00 0.24 H new ATOM 0 HD21 ASN A 77 24.500 8.386 -4.989 1.00 0.93 H new ATOM 0 HD22 ASN A 77 25.676 9.482 -5.723 1.00 0.93 H new ATOM 959 N ILE A 78 21.721 6.202 -6.168 1.00 0.20 N ATOM 960 CA ILE A 78 20.452 6.844 -5.718 1.00 0.21 C ATOM 961 C ILE A 78 20.709 8.122 -4.949 1.00 0.26 C ATOM 962 O ILE A 78 21.181 8.144 -3.831 1.00 0.21 O ATOM 963 CB ILE A 78 19.661 5.804 -4.871 1.00 0.16 C ATOM 964 CG1 ILE A 78 19.385 4.468 -5.631 1.00 0.11 C ATOM 965 CG2 ILE A 78 18.264 6.402 -4.494 1.00 0.32 C ATOM 966 CD1 ILE A 78 19.368 4.686 -7.149 1.00 0.15 C ATOM 0 H ILE A 78 21.833 5.234 -5.866 1.00 0.20 H new ATOM 0 HA ILE A 78 19.860 7.137 -6.585 1.00 0.21 H new ATOM 0 HB ILE A 78 20.280 5.590 -4.000 1.00 0.16 H new ATOM 0 HG12 ILE A 78 20.151 3.736 -5.375 1.00 0.11 H new ATOM 0 HG13 ILE A 78 18.429 4.055 -5.310 1.00 0.11 H new ATOM 0 HG21 ILE A 78 17.706 5.677 -3.901 1.00 0.32 H new ATOM 0 HG22 ILE A 78 18.403 7.315 -3.915 1.00 0.32 H new ATOM 0 HG23 ILE A 78 17.709 6.631 -5.404 1.00 0.32 H new ATOM 0 HD11 ILE A 78 19.174 3.738 -7.651 1.00 0.15 H new ATOM 0 HD12 ILE A 78 18.585 5.399 -7.405 1.00 0.15 H new ATOM 0 HD13 ILE A 78 20.334 5.076 -7.471 1.00 0.15 H new ATOM 978 N ALA A 79 20.346 9.156 -5.644 1.00 0.39 N ATOM 979 CA ALA A 79 20.487 10.547 -5.144 1.00 0.46 C ATOM 980 C ALA A 79 19.361 10.818 -4.156 1.00 0.46 C ATOM 981 O ALA A 79 19.536 11.450 -3.132 1.00 0.43 O ATOM 982 CB ALA A 79 20.392 11.447 -6.363 1.00 0.68 C ATOM 0 H ALA A 79 19.940 9.091 -6.578 1.00 0.39 H new ATOM 0 HA ALA A 79 21.431 10.722 -4.628 1.00 0.46 H new ATOM 0 HB1 ALA A 79 20.489 12.488 -6.055 1.00 0.68 H new ATOM 0 HB2 ALA A 79 21.191 11.199 -7.062 1.00 0.68 H new ATOM 0 HB3 ALA A 79 19.427 11.301 -6.849 1.00 0.68 H new ATOM 988 N GLN A 80 18.223 10.327 -4.531 1.00 0.50 N ATOM 989 CA GLN A 80 17.044 10.526 -3.641 1.00 0.57 C ATOM 990 C GLN A 80 16.197 9.330 -3.371 1.00 0.66 C ATOM 991 O GLN A 80 16.425 8.259 -3.868 1.00 0.85 O ATOM 992 CB GLN A 80 16.127 11.606 -4.205 1.00 0.73 C ATOM 993 CG GLN A 80 15.932 12.698 -3.114 1.00 0.73 C ATOM 994 CD GLN A 80 14.542 13.299 -3.260 1.00 1.71 C ATOM 995 OE1 GLN A 80 13.546 12.753 -2.820 1.00 2.94 O ATOM 996 NE2 GLN A 80 14.424 14.424 -3.881 1.00 1.58 N ATOM 0 H GLN A 80 18.052 9.808 -5.392 1.00 0.50 H new ATOM 0 HA GLN A 80 17.502 10.801 -2.691 1.00 0.57 H new ATOM 0 HB2 GLN A 80 16.561 12.041 -5.105 1.00 0.73 H new ATOM 0 HB3 GLN A 80 15.166 11.178 -4.490 1.00 0.73 H new ATOM 0 HG2 GLN A 80 16.053 12.265 -2.121 1.00 0.73 H new ATOM 0 HG3 GLN A 80 16.691 13.474 -3.217 1.00 0.73 H new ATOM 0 HE21 GLN A 80 15.251 14.890 -4.254 1.00 1.58 H new ATOM 0 HE22 GLN A 80 13.503 14.847 -3.999 1.00 1.58 H new ATOM 1005 N VAL A 81 15.214 9.582 -2.570 1.00 0.58 N ATOM 1006 CA VAL A 81 14.259 8.523 -2.189 1.00 0.65 C ATOM 1007 C VAL A 81 13.460 8.303 -3.484 1.00 0.63 C ATOM 1008 O VAL A 81 12.636 9.140 -3.817 1.00 0.73 O ATOM 1009 CB VAL A 81 13.395 9.075 -1.073 1.00 0.72 C ATOM 1010 CG1 VAL A 81 12.354 8.018 -0.692 1.00 0.69 C ATOM 1011 CG2 VAL A 81 14.265 9.520 0.118 1.00 0.72 C ATOM 0 H VAL A 81 15.029 10.495 -2.155 1.00 0.58 H new ATOM 0 HA VAL A 81 14.698 7.593 -1.828 1.00 0.65 H new ATOM 0 HB VAL A 81 12.864 9.967 -1.406 1.00 0.72 H new ATOM 0 HG11 VAL A 81 11.724 8.401 0.111 1.00 0.69 H new ATOM 0 HG12 VAL A 81 11.736 7.787 -1.560 1.00 0.69 H new ATOM 0 HG13 VAL A 81 12.860 7.113 -0.356 1.00 0.69 H new ATOM 0 HG21 VAL A 81 13.626 9.913 0.909 1.00 0.72 H new ATOM 0 HG22 VAL A 81 14.827 8.667 0.497 1.00 0.72 H new ATOM 0 HG23 VAL A 81 14.958 10.296 -0.208 1.00 0.72 H new ATOM 1021 N PRO A 82 13.697 7.230 -4.208 1.00 0.51 N ATOM 1022 CA PRO A 82 13.032 7.057 -5.520 1.00 0.45 C ATOM 1023 C PRO A 82 11.612 6.632 -5.106 1.00 0.43 C ATOM 1024 O PRO A 82 11.409 6.127 -4.010 1.00 0.43 O ATOM 1025 CB PRO A 82 13.944 6.034 -6.176 1.00 0.37 C ATOM 1026 CG PRO A 82 14.246 5.093 -5.018 1.00 0.33 C ATOM 1027 CD PRO A 82 14.575 6.067 -3.878 1.00 0.43 C ATOM 0 HA PRO A 82 12.908 7.875 -6.230 1.00 0.45 H new ATOM 0 HB2 PRO A 82 13.453 5.520 -7.002 1.00 0.37 H new ATOM 0 HB3 PRO A 82 14.849 6.491 -6.577 1.00 0.37 H new ATOM 0 HG2 PRO A 82 13.393 4.459 -4.777 1.00 0.33 H new ATOM 0 HG3 PRO A 82 15.083 4.431 -5.240 1.00 0.33 H new ATOM 0 HD2 PRO A 82 14.344 5.645 -2.900 1.00 0.43 H new ATOM 0 HD3 PRO A 82 15.630 6.341 -3.866 1.00 0.43 H new ATOM 1035 N ARG A 83 10.669 6.829 -5.975 1.00 0.42 N ATOM 1036 CA ARG A 83 9.252 6.476 -5.636 1.00 0.45 C ATOM 1037 C ARG A 83 8.523 5.850 -6.808 1.00 0.42 C ATOM 1038 O ARG A 83 9.104 5.766 -7.870 1.00 0.60 O ATOM 1039 CB ARG A 83 8.590 7.809 -5.147 1.00 0.51 C ATOM 1040 CG ARG A 83 9.427 8.327 -3.944 1.00 0.93 C ATOM 1041 CD ARG A 83 8.824 9.528 -3.288 1.00 1.08 C ATOM 1042 NE ARG A 83 9.489 9.541 -1.938 1.00 1.89 N ATOM 1043 CZ ARG A 83 10.314 10.436 -1.563 1.00 2.50 C ATOM 1044 NH1 ARG A 83 11.202 10.804 -2.407 1.00 3.37 N ATOM 1045 NH2 ARG A 83 10.152 10.855 -0.378 1.00 3.13 N ATOM 0 H ARG A 83 10.808 7.218 -6.907 1.00 0.42 H new ATOM 0 HA ARG A 83 9.205 5.714 -4.858 1.00 0.45 H new ATOM 0 HB2 ARG A 83 8.573 8.547 -5.949 1.00 0.51 H new ATOM 0 HB3 ARG A 83 7.555 7.638 -4.850 1.00 0.51 H new ATOM 0 HG2 ARG A 83 9.527 7.529 -3.208 1.00 0.93 H new ATOM 0 HG3 ARG A 83 10.432 8.573 -4.287 1.00 0.93 H new ATOM 0 HD2 ARG A 83 9.029 10.440 -3.848 1.00 1.08 H new ATOM 0 HD3 ARG A 83 7.741 9.442 -3.204 1.00 1.08 H new ATOM 0 HE ARG A 83 9.266 8.789 -1.285 1.00 1.89 H new ATOM 0 HH11 ARG A 83 11.228 10.383 -3.336 1.00 3.37 H new ATOM 0 HH12 ARG A 83 11.884 11.518 -2.151 1.00 3.37 H new ATOM 0 HH21 ARG A 83 9.402 10.475 0.199 1.00 3.13 H new ATOM 0 HH22 ARG A 83 10.772 11.572 -0.001 1.00 3.13 H new ATOM 1059 N VAL A 84 7.299 5.434 -6.595 1.00 0.24 N ATOM 1060 CA VAL A 84 6.528 4.804 -7.724 1.00 0.20 C ATOM 1061 C VAL A 84 6.182 5.694 -8.963 1.00 0.34 C ATOM 1062 O VAL A 84 7.034 6.032 -9.770 1.00 0.91 O ATOM 1063 CB VAL A 84 5.219 4.172 -7.067 1.00 0.10 C ATOM 1064 CG1 VAL A 84 4.335 3.397 -8.091 1.00 0.15 C ATOM 1065 CG2 VAL A 84 5.681 3.052 -6.157 1.00 0.22 C ATOM 0 H VAL A 84 6.803 5.499 -5.706 1.00 0.24 H new ATOM 0 HA VAL A 84 7.187 4.068 -8.184 1.00 0.20 H new ATOM 0 HB VAL A 84 4.672 4.995 -6.608 1.00 0.10 H new ATOM 0 HG11 VAL A 84 3.460 2.991 -7.583 1.00 0.15 H new ATOM 0 HG12 VAL A 84 4.013 4.076 -8.881 1.00 0.15 H new ATOM 0 HG13 VAL A 84 4.913 2.582 -8.526 1.00 0.15 H new ATOM 0 HG21 VAL A 84 4.816 2.588 -5.683 1.00 0.22 H new ATOM 0 HG22 VAL A 84 6.218 2.306 -6.742 1.00 0.22 H new ATOM 0 HG23 VAL A 84 6.342 3.456 -5.390 1.00 0.22 H new ATOM 1075 N GLY A 85 4.923 6.022 -9.028 1.00 0.27 N ATOM 1076 CA GLY A 85 4.342 6.849 -10.131 1.00 0.40 C ATOM 1077 C GLY A 85 4.314 8.368 -9.965 1.00 0.31 C ATOM 1078 O GLY A 85 3.217 8.876 -10.113 1.00 1.42 O ATOM 1079 OXT GLY A 85 5.368 8.929 -9.719 1.00 0.90 O ATOM 0 H GLY A 85 4.238 5.737 -8.328 1.00 0.27 H new ATOM 0 HA2 GLY A 85 4.898 6.625 -11.042 1.00 0.40 H new ATOM 0 HA3 GLY A 85 3.317 6.514 -10.292 1.00 0.40 H new TER 1083 GLY A 85