USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 42:sc= 0.26! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -11.1! C(o=-18!,f=-11!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -166:sc= -0.587 (180deg=-1.14) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -1.52 K(o=-2.1,f=-3) USER MOD Set 3.1: A 40 HIS : no HD1:sc= -4.18! C(o=-3.9!,f=-5.3!) USER MOD Set 3.2: A 74 SER OG : rot -73:sc= 0.319 USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= -0.0138 (180deg=-0.336) USER MOD Single : A 7 MET CE :methyl -162:sc= 0 (180deg=-0.151) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= -0.207 (180deg=-0.22) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= -1.16! (180deg=-1.48!) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.44 F(o=-4.6!,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 56:sc= 0.208 USER MOD Single : A 41 TYR OH : rot -179:sc= 0.289 USER MOD Single : A 45 CYS SG : rot 8:sc= -0.777! USER MOD Single : A 47 GLN : amide:sc= -6.21! C(o=-6.2!,f=-11!) USER MOD Single : A 57 LYS NZ :NH3+ -137:sc= -0.086 (180deg=-0.568) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.739! C(o=-13!,f=-0.74!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -0.655! C(o=-0.65!,f=-11!) USER MOD Single : A 70 THR OG1 : rot 108:sc= -5.61! USER MOD Single : A 77 TYR OH : rot -130:sc= -0.47 USER MOD Single : A 80 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 170:sc= -4.04! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -99:sc= 0.929 USER MOD Single : A 90 LYS NZ :NH3+ -127:sc= -0.675 (180deg=-3.33!) USER MOD Single : A 94 LYS NZ :NH3+ -119:sc= -1.19 (180deg=-2.81!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 97 LYS NZ :NH3+ 151:sc= -0.242 (180deg=-1.46!) USER MOD Single : A 103 THR OG1 : rot -150:sc= -1.31! USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 151:sc= -0.12 (180deg=-0.679) USER MOD Single : A 118 GLN :FLIP amide:sc= -3.46! C(o=-4.2!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.118 -8.246 86.067 1.00 0.00 N ATOM 44 CA LYS A 4 -6.682 -7.809 87.419 1.00 0.00 C ATOM 45 C LYS A 4 -6.200 -9.023 88.220 1.00 0.00 C ATOM 46 O LYS A 4 -5.031 -9.146 88.528 1.00 0.00 O ATOM 47 CB LYS A 4 -7.862 -7.149 88.135 1.00 0.00 C ATOM 48 CG LYS A 4 -8.352 -5.956 87.309 1.00 0.00 C ATOM 49 CD LYS A 4 -9.304 -5.101 88.149 1.00 0.00 C ATOM 50 CE LYS A 4 -9.841 -3.946 87.299 1.00 0.00 C ATOM 51 NZ LYS A 4 -8.724 -3.024 86.947 1.00 0.00 N ATOM 0 HA LYS A 4 -5.864 -7.094 87.331 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.669 -7.869 88.270 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.560 -6.819 89.129 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.503 -5.356 86.981 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.860 -6.308 86.411 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.130 -5.711 88.515 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.783 -4.711 89.024 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.306 -4.334 86.392 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.613 -3.406 87.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.113 -2.119 86.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.133 -2.858 87.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.146 -3.450 86.195 1.00 0.00 H new ATOM 65 N GLU A 5 -7.089 -9.922 88.556 1.00 0.00 N ATOM 66 CA GLU A 5 -6.680 -11.127 89.339 1.00 0.00 C ATOM 67 C GLU A 5 -5.381 -11.698 88.768 1.00 0.00 C ATOM 68 O GLU A 5 -4.589 -12.295 89.469 1.00 0.00 O ATOM 69 CB GLU A 5 -7.780 -12.189 89.255 1.00 0.00 C ATOM 70 CG GLU A 5 -7.493 -13.301 90.267 1.00 0.00 C ATOM 71 CD GLU A 5 -8.577 -14.377 90.170 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.451 -15.242 89.320 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.516 -14.316 90.947 1.00 0.00 O ATOM 0 H GLU A 5 -8.081 -9.874 88.322 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.524 -10.842 90.380 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.751 -11.739 89.459 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.825 -12.602 88.247 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.514 -13.739 90.073 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.464 -12.890 91.276 1.00 0.00 H new ATOM 80 N PHE A 6 -5.159 -11.514 87.499 1.00 0.00 N ATOM 81 CA PHE A 6 -3.918 -12.040 86.871 1.00 0.00 C ATOM 82 C PHE A 6 -2.709 -11.278 87.433 1.00 0.00 C ATOM 83 O PHE A 6 -1.997 -11.771 88.284 1.00 0.00 O ATOM 84 CB PHE A 6 -4.010 -11.851 85.348 1.00 0.00 C ATOM 85 CG PHE A 6 -3.123 -12.852 84.627 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.788 -13.037 85.013 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.646 -13.593 83.556 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.984 -13.963 84.335 1.00 0.00 C ATOM 89 CE2 PHE A 6 -2.840 -14.516 82.880 1.00 0.00 C ATOM 90 CZ PHE A 6 -1.509 -14.699 83.268 1.00 0.00 C ATOM 0 H PHE A 6 -5.787 -11.019 86.866 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.801 -13.101 87.092 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -5.043 -11.974 85.023 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.711 -10.837 85.084 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.379 -12.466 85.833 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.673 -13.451 83.253 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.043 -14.109 84.637 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.246 -15.087 82.058 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.886 -15.409 82.744 1.00 0.00 H new ATOM 100 N MET A 7 -2.460 -10.087 86.954 1.00 0.00 N ATOM 101 CA MET A 7 -1.284 -9.311 87.452 1.00 0.00 C ATOM 102 C MET A 7 -1.424 -9.022 88.948 1.00 0.00 C ATOM 103 O MET A 7 -0.451 -8.978 89.671 1.00 0.00 O ATOM 104 CB MET A 7 -1.175 -7.988 86.688 1.00 0.00 C ATOM 105 CG MET A 7 -2.209 -6.994 87.225 1.00 0.00 C ATOM 106 SD MET A 7 -2.394 -5.619 86.064 1.00 0.00 S ATOM 107 CE MET A 7 -3.671 -6.367 85.022 1.00 0.00 C ATOM 0 H MET A 7 -3.019 -9.618 86.241 1.00 0.00 H new ATOM 0 HA MET A 7 -0.385 -9.905 87.290 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.171 -7.577 86.795 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.338 -8.157 85.624 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.167 -7.493 87.368 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.896 -6.620 88.200 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.715 -5.843 84.067 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.431 -7.416 84.849 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.637 -6.293 85.521 1.00 0.00 H new ATOM 117 N TRP A 8 -2.620 -8.812 89.418 1.00 0.00 N ATOM 118 CA TRP A 8 -2.797 -8.520 90.867 1.00 0.00 C ATOM 119 C TRP A 8 -2.032 -9.561 91.686 1.00 0.00 C ATOM 120 O TRP A 8 -1.818 -9.402 92.870 1.00 0.00 O ATOM 121 CB TRP A 8 -4.287 -8.576 91.221 1.00 0.00 C ATOM 122 CG TRP A 8 -4.497 -8.037 92.601 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.634 -8.792 93.716 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.600 -6.649 93.031 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.812 -7.954 94.802 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.801 -6.625 94.431 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.542 -5.420 92.347 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.935 -5.423 95.130 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.677 -4.209 93.047 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.876 -4.211 94.436 1.00 0.00 C ATOM 0 H TRP A 8 -3.478 -8.829 88.866 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.412 -7.525 91.092 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.864 -7.995 90.501 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.646 -9.603 91.163 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.609 -9.871 93.752 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.936 -8.279 95.761 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.393 -5.408 91.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.083 -5.430 96.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.627 -3.272 92.513 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.983 -3.277 94.968 1.00 0.00 H new ATOM 141 N ALA A 9 -1.623 -10.630 91.059 1.00 0.00 N ATOM 142 CA ALA A 9 -0.879 -11.692 91.786 1.00 0.00 C ATOM 143 C ALA A 9 0.622 -11.384 91.774 1.00 0.00 C ATOM 144 O ALA A 9 1.275 -11.420 92.796 1.00 0.00 O ATOM 145 CB ALA A 9 -1.140 -13.036 91.106 1.00 0.00 C ATOM 0 H ALA A 9 -1.775 -10.812 90.067 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.218 -11.732 92.821 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.598 -13.822 91.633 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.208 -13.254 91.129 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.801 -12.992 90.071 1.00 0.00 H new ATOM 151 N LEU A 10 1.175 -11.079 90.630 1.00 0.00 N ATOM 152 CA LEU A 10 2.634 -10.765 90.572 1.00 0.00 C ATOM 153 C LEU A 10 3.011 -9.858 91.738 1.00 0.00 C ATOM 154 O LEU A 10 4.105 -9.908 92.264 1.00 0.00 O ATOM 155 CB LEU A 10 2.966 -9.980 89.302 1.00 0.00 C ATOM 156 CG LEU A 10 2.585 -10.760 88.035 1.00 0.00 C ATOM 157 CD1 LEU A 10 2.186 -9.774 86.927 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.790 -11.581 87.560 1.00 0.00 C ATOM 0 H LEU A 10 0.683 -11.034 89.737 1.00 0.00 H new ATOM 0 HA LEU A 10 3.174 -11.711 90.600 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.438 -9.027 89.315 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.032 -9.753 89.283 1.00 0.00 H new ATOM 0 HG LEU A 10 1.749 -11.423 88.258 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.916 -10.327 86.028 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.334 -9.180 87.258 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.025 -9.114 86.708 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.521 -12.135 86.661 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.622 -10.912 87.339 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.085 -12.280 88.342 1.00 0.00 H new ATOM 170 N LYS A 11 2.120 -8.982 92.084 1.00 0.00 N ATOM 171 CA LYS A 11 2.396 -7.987 93.154 1.00 0.00 C ATOM 172 C LYS A 11 2.028 -8.502 94.545 1.00 0.00 C ATOM 173 O LYS A 11 2.821 -8.436 95.463 1.00 0.00 O ATOM 174 CB LYS A 11 1.558 -6.756 92.853 1.00 0.00 C ATOM 175 CG LYS A 11 1.707 -5.729 93.975 1.00 0.00 C ATOM 176 CD LYS A 11 1.213 -4.372 93.477 1.00 0.00 C ATOM 177 CE LYS A 11 -0.198 -4.531 92.911 1.00 0.00 C ATOM 178 NZ LYS A 11 -0.835 -3.193 92.795 1.00 0.00 N ATOM 0 H LYS A 11 1.193 -8.910 91.664 1.00 0.00 H new ATOM 0 HA LYS A 11 3.465 -7.773 93.162 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.870 -6.318 91.905 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.511 -7.038 92.745 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.134 -6.040 94.849 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.750 -5.659 94.285 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.212 -3.650 94.293 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.884 -3.985 92.710 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.158 -5.013 91.934 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.792 -5.174 93.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.795 -3.298 92.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.885 -2.750 93.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.271 -2.594 92.159 1.00 0.00 H new ATOM 192 N ASN A 12 0.828 -8.971 94.732 1.00 0.00 N ATOM 193 CA ASN A 12 0.427 -9.426 96.088 1.00 0.00 C ATOM 194 C ASN A 12 1.090 -10.764 96.405 1.00 0.00 C ATOM 195 O ASN A 12 0.650 -11.507 97.260 1.00 0.00 O ATOM 196 CB ASN A 12 -1.090 -9.574 96.125 1.00 0.00 C ATOM 197 CG ASN A 12 -1.730 -8.251 96.552 1.00 0.00 C ATOM 198 OD1 ASN A 12 -2.528 -7.686 95.829 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.414 -7.733 97.704 1.00 0.00 N ATOM 0 H ASN A 12 0.113 -9.058 94.010 1.00 0.00 H new ATOM 0 HA ASN A 12 0.745 -8.696 96.833 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.460 -9.867 95.142 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.370 -10.365 96.820 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.836 -6.853 98.000 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.745 -8.207 98.310 1.00 0.00 H new ATOM 206 N GLY A 13 2.164 -11.054 95.738 1.00 0.00 N ATOM 207 CA GLY A 13 2.892 -12.315 96.002 1.00 0.00 C ATOM 208 C GLY A 13 1.957 -13.512 95.873 1.00 0.00 C ATOM 209 O GLY A 13 2.300 -14.609 96.269 1.00 0.00 O ATOM 0 H GLY A 13 2.573 -10.464 95.013 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.720 -12.417 95.301 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.323 -12.290 97.003 1.00 0.00 H new ATOM 213 N ASP A 14 0.789 -13.335 95.316 1.00 0.00 N ATOM 214 CA ASP A 14 -0.117 -14.498 95.166 1.00 0.00 C ATOM 215 C ASP A 14 0.519 -15.430 94.148 1.00 0.00 C ATOM 216 O ASP A 14 -0.085 -15.868 93.192 1.00 0.00 O ATOM 217 CB ASP A 14 -1.487 -14.048 94.688 1.00 0.00 C ATOM 218 CG ASP A 14 -1.887 -12.763 95.416 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.437 -12.578 96.536 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.639 -11.989 94.847 1.00 0.00 O ATOM 0 H ASP A 14 0.431 -12.447 94.964 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.256 -15.004 96.121 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.470 -13.878 93.611 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.224 -14.829 94.876 1.00 0.00 H new ATOM 225 N LEU A 15 1.758 -15.709 94.376 1.00 0.00 N ATOM 226 CA LEU A 15 2.542 -16.590 93.486 1.00 0.00 C ATOM 227 C LEU A 15 1.695 -17.799 93.093 1.00 0.00 C ATOM 228 O LEU A 15 1.805 -18.327 92.008 1.00 0.00 O ATOM 229 CB LEU A 15 3.793 -17.005 94.270 1.00 0.00 C ATOM 230 CG LEU A 15 4.740 -17.889 93.447 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.277 -19.350 93.488 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.810 -17.403 91.992 1.00 0.00 C ATOM 0 H LEU A 15 2.281 -15.349 95.174 1.00 0.00 H new ATOM 0 HA LEU A 15 2.832 -16.088 92.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.327 -16.112 94.595 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.492 -17.541 95.170 1.00 0.00 H new ATOM 0 HG LEU A 15 5.736 -17.820 93.885 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.959 -19.964 92.900 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.271 -19.701 94.520 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.272 -19.425 93.073 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.487 -18.044 91.427 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.816 -17.443 91.547 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.177 -16.377 91.968 1.00 0.00 H new ATOM 244 N ASP A 16 0.840 -18.227 93.966 1.00 0.00 N ATOM 245 CA ASP A 16 -0.025 -19.386 93.665 1.00 0.00 C ATOM 246 C ASP A 16 -0.951 -19.056 92.491 1.00 0.00 C ATOM 247 O ASP A 16 -1.387 -19.929 91.765 1.00 0.00 O ATOM 248 CB ASP A 16 -0.868 -19.684 94.900 1.00 0.00 C ATOM 249 CG ASP A 16 0.044 -19.819 96.122 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.587 -18.812 96.545 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.179 -20.927 96.616 1.00 0.00 O ATOM 0 H ASP A 16 0.702 -17.816 94.889 1.00 0.00 H new ATOM 0 HA ASP A 16 0.588 -20.248 93.400 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.592 -18.885 95.060 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.435 -20.603 94.753 1.00 0.00 H new ATOM 256 N GLU A 17 -1.274 -17.803 92.315 1.00 0.00 N ATOM 257 CA GLU A 17 -2.196 -17.411 91.206 1.00 0.00 C ATOM 258 C GLU A 17 -1.444 -17.318 89.871 1.00 0.00 C ATOM 259 O GLU A 17 -1.887 -17.847 88.869 1.00 0.00 O ATOM 260 CB GLU A 17 -2.837 -16.065 91.542 1.00 0.00 C ATOM 261 CG GLU A 17 -3.991 -16.292 92.523 1.00 0.00 C ATOM 262 CD GLU A 17 -4.479 -14.948 93.064 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.988 -13.932 92.604 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.337 -14.959 93.933 1.00 0.00 O ATOM 0 H GLU A 17 -0.939 -17.031 92.892 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.968 -18.174 91.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.097 -15.395 91.980 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.204 -15.586 90.634 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.808 -16.812 92.024 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.663 -16.928 93.345 1.00 0.00 H new ATOM 271 N VAL A 18 -0.309 -16.674 89.835 1.00 0.00 N ATOM 272 CA VAL A 18 0.439 -16.591 88.544 1.00 0.00 C ATOM 273 C VAL A 18 0.896 -18.002 88.189 1.00 0.00 C ATOM 274 O VAL A 18 1.119 -18.338 87.044 1.00 0.00 O ATOM 275 CB VAL A 18 1.683 -15.697 88.702 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.418 -14.301 88.136 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.043 -15.586 90.181 1.00 0.00 C ATOM 0 H VAL A 18 0.129 -16.208 90.629 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.201 -16.169 87.770 1.00 0.00 H new ATOM 0 HB VAL A 18 2.510 -16.146 88.151 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.309 -13.684 88.257 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.171 -14.379 87.077 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.585 -13.844 88.670 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.923 -14.954 90.295 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.208 -15.147 90.727 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.255 -16.578 90.579 1.00 0.00 H new ATOM 287 N LYS A 19 1.044 -18.818 89.188 1.00 0.00 N ATOM 288 CA LYS A 19 1.497 -20.217 88.980 1.00 0.00 C ATOM 289 C LYS A 19 0.449 -21.014 88.203 1.00 0.00 C ATOM 290 O LYS A 19 0.773 -21.878 87.412 1.00 0.00 O ATOM 291 CB LYS A 19 1.717 -20.839 90.360 1.00 0.00 C ATOM 292 CG LYS A 19 2.293 -22.248 90.236 1.00 0.00 C ATOM 293 CD LYS A 19 2.889 -22.674 91.588 1.00 0.00 C ATOM 294 CE LYS A 19 4.359 -22.248 91.666 1.00 0.00 C ATOM 295 NZ LYS A 19 4.890 -22.532 93.031 1.00 0.00 N ATOM 0 H LYS A 19 0.866 -18.570 90.161 1.00 0.00 H new ATOM 0 HA LYS A 19 2.419 -20.232 88.399 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.395 -20.214 90.941 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.772 -20.874 90.902 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.513 -22.947 89.933 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.061 -22.273 89.463 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.326 -22.220 92.403 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.807 -23.754 91.707 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.944 -22.784 90.918 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.453 -21.185 91.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.877 -22.211 93.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.317 -22.028 93.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.846 -23.555 93.215 1.00 0.00 H new ATOM 309 N ASP A 20 -0.802 -20.739 88.422 1.00 0.00 N ATOM 310 CA ASP A 20 -1.867 -21.489 87.702 1.00 0.00 C ATOM 311 C ASP A 20 -1.875 -21.106 86.218 1.00 0.00 C ATOM 312 O ASP A 20 -2.018 -21.946 85.347 1.00 0.00 O ATOM 313 CB ASP A 20 -3.234 -21.162 88.317 1.00 0.00 C ATOM 314 CG ASP A 20 -4.210 -22.306 88.025 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.581 -22.461 86.873 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.567 -23.007 88.957 1.00 0.00 O ATOM 0 H ASP A 20 -1.136 -20.026 89.070 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.668 -22.557 87.794 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.136 -21.019 89.393 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.617 -20.228 87.905 1.00 0.00 H new ATOM 321 N TYR A 21 -1.740 -19.842 85.924 1.00 0.00 N ATOM 322 CA TYR A 21 -1.763 -19.399 84.501 1.00 0.00 C ATOM 323 C TYR A 21 -0.624 -20.061 83.715 1.00 0.00 C ATOM 324 O TYR A 21 -0.851 -20.679 82.695 1.00 0.00 O ATOM 325 CB TYR A 21 -1.624 -17.872 84.444 1.00 0.00 C ATOM 326 CG TYR A 21 -2.982 -17.235 84.629 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.884 -17.187 83.558 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.344 -16.700 85.871 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.145 -16.602 83.729 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.605 -16.116 86.042 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.506 -16.068 84.971 1.00 0.00 C ATOM 332 OH TYR A 21 -6.748 -15.495 85.140 1.00 0.00 O ATOM 0 H TYR A 21 -1.615 -19.096 86.608 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.709 -19.696 84.049 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.941 -17.529 85.221 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.196 -17.571 83.488 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.607 -17.601 82.600 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.650 -16.738 86.698 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.839 -16.563 82.902 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.883 -15.702 87.000 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.838 -15.175 86.062 1.00 0.00 H new ATOM 342 N VAL A 22 0.594 -19.945 84.165 1.00 0.00 N ATOM 343 CA VAL A 22 1.709 -20.581 83.412 1.00 0.00 C ATOM 344 C VAL A 22 1.551 -22.102 83.470 1.00 0.00 C ATOM 345 O VAL A 22 2.150 -22.827 82.701 1.00 0.00 O ATOM 346 CB VAL A 22 3.061 -20.157 84.004 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.352 -20.931 85.291 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.170 -20.437 82.988 1.00 0.00 C ATOM 0 H VAL A 22 0.863 -19.444 85.011 1.00 0.00 H new ATOM 0 HA VAL A 22 1.678 -20.256 82.372 1.00 0.00 H new ATOM 0 HB VAL A 22 3.023 -19.092 84.234 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.314 -20.616 85.695 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.568 -20.730 86.022 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.381 -21.999 85.075 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.131 -20.137 83.406 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.192 -21.502 82.757 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.979 -19.872 82.076 1.00 0.00 H new ATOM 358 N ALA A 23 0.738 -22.593 84.368 1.00 0.00 N ATOM 359 CA ALA A 23 0.539 -24.062 84.458 1.00 0.00 C ATOM 360 C ALA A 23 -0.030 -24.547 83.129 1.00 0.00 C ATOM 361 O ALA A 23 0.141 -25.685 82.739 1.00 0.00 O ATOM 362 CB ALA A 23 -0.446 -24.383 85.584 1.00 0.00 C ATOM 0 H ALA A 23 0.206 -22.039 85.039 1.00 0.00 H new ATOM 0 HA ALA A 23 1.487 -24.557 84.669 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.589 -25.462 85.646 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.050 -24.014 86.530 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.402 -23.902 85.379 1.00 0.00 H new ATOM 368 N LYS A 24 -0.695 -23.671 82.430 1.00 0.00 N ATOM 369 CA LYS A 24 -1.277 -24.043 81.116 1.00 0.00 C ATOM 370 C LYS A 24 -0.155 -24.485 80.174 1.00 0.00 C ATOM 371 O LYS A 24 0.078 -25.663 79.985 1.00 0.00 O ATOM 372 CB LYS A 24 -2.018 -22.837 80.522 1.00 0.00 C ATOM 373 CG LYS A 24 -3.466 -22.824 81.023 1.00 0.00 C ATOM 374 CD LYS A 24 -3.483 -22.731 82.550 1.00 0.00 C ATOM 375 CE LYS A 24 -4.898 -22.393 83.025 1.00 0.00 C ATOM 376 NZ LYS A 24 -4.871 -22.057 84.477 1.00 0.00 N ATOM 0 H LYS A 24 -0.860 -22.706 82.717 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.983 -24.864 81.245 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.516 -21.913 80.807 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.000 -22.887 79.433 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.003 -21.979 80.592 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.981 -23.728 80.698 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.157 -23.675 82.986 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.783 -21.966 82.886 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.293 -21.553 82.454 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.563 -23.238 82.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.571 -21.314 84.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.100 -22.905 85.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.923 -21.717 84.737 1.00 0.00 H new ATOM 390 N GLY A 25 0.537 -23.557 79.575 1.00 0.00 N ATOM 391 CA GLY A 25 1.632 -23.942 78.645 1.00 0.00 C ATOM 392 C GLY A 25 2.613 -22.781 78.449 1.00 0.00 C ATOM 393 O GLY A 25 2.525 -22.038 77.495 1.00 0.00 O ATOM 0 H GLY A 25 0.392 -22.554 79.689 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.162 -24.809 79.039 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.212 -24.235 77.683 1.00 0.00 H new ATOM 397 N GLU A 26 3.551 -22.647 79.349 1.00 0.00 N ATOM 398 CA GLU A 26 4.582 -21.561 79.256 1.00 0.00 C ATOM 399 C GLU A 26 3.997 -20.284 78.644 1.00 0.00 C ATOM 400 O GLU A 26 3.760 -20.199 77.454 1.00 0.00 O ATOM 401 CB GLU A 26 5.782 -22.038 78.421 1.00 0.00 C ATOM 402 CG GLU A 26 5.308 -22.873 77.232 1.00 0.00 C ATOM 403 CD GLU A 26 6.518 -23.276 76.386 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.043 -22.418 75.693 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.902 -24.432 76.446 1.00 0.00 O ATOM 0 H GLU A 26 3.651 -23.255 80.162 1.00 0.00 H new ATOM 0 HA GLU A 26 4.914 -21.330 80.268 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.350 -21.178 78.066 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.454 -22.629 79.043 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.782 -23.761 77.583 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.602 -22.302 76.629 1.00 0.00 H new ATOM 412 N ASP A 27 3.789 -19.278 79.449 1.00 0.00 N ATOM 413 CA ASP A 27 3.244 -17.993 78.927 1.00 0.00 C ATOM 414 C ASP A 27 3.833 -16.843 79.739 1.00 0.00 C ATOM 415 O ASP A 27 3.160 -15.878 80.049 1.00 0.00 O ATOM 416 CB ASP A 27 1.717 -17.980 79.065 1.00 0.00 C ATOM 417 CG ASP A 27 1.119 -16.947 78.107 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.885 -16.241 77.473 1.00 0.00 O ATOM 419 OD2 ASP A 27 -0.097 -16.879 78.025 1.00 0.00 O ATOM 0 H ASP A 27 3.974 -19.291 80.452 1.00 0.00 H new ATOM 0 HA ASP A 27 3.508 -17.885 77.875 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.314 -18.969 78.846 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.437 -17.742 80.091 1.00 0.00 H new ATOM 424 N VAL A 28 5.081 -16.942 80.097 1.00 0.00 N ATOM 425 CA VAL A 28 5.712 -15.863 80.904 1.00 0.00 C ATOM 426 C VAL A 28 6.404 -14.860 79.983 1.00 0.00 C ATOM 427 O VAL A 28 7.613 -14.738 79.959 1.00 0.00 O ATOM 428 CB VAL A 28 6.722 -16.482 81.859 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.967 -17.256 82.938 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.638 -17.440 81.094 1.00 0.00 C ATOM 0 H VAL A 28 5.693 -17.725 79.865 1.00 0.00 H new ATOM 0 HA VAL A 28 4.947 -15.338 81.476 1.00 0.00 H new ATOM 0 HB VAL A 28 7.327 -15.698 82.314 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.680 -17.705 83.630 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.312 -16.576 83.483 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.370 -18.040 82.473 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.359 -17.881 81.782 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.040 -18.230 80.640 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.168 -16.892 80.315 1.00 0.00 H new ATOM 440 N ASN A 29 5.629 -14.138 79.229 1.00 0.00 N ATOM 441 CA ASN A 29 6.187 -13.130 78.302 1.00 0.00 C ATOM 442 C ASN A 29 5.021 -12.393 77.639 1.00 0.00 C ATOM 443 O ASN A 29 5.138 -11.878 76.543 1.00 0.00 O ATOM 444 CB ASN A 29 7.028 -13.825 77.233 1.00 0.00 C ATOM 445 CG ASN A 29 6.371 -15.147 76.839 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.513 -16.187 77.610 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.722 -15.233 75.815 1.00 0.00 N flip ATOM 0 H ASN A 29 4.611 -14.208 79.219 1.00 0.00 H new ATOM 0 HA ASN A 29 6.819 -12.427 78.845 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.126 -13.182 76.359 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.035 -14.006 77.610 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.611 -14.418 75.212 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.288 -16.120 75.559 1.00 0.00 H new ATOM 454 N ARG A 30 3.892 -12.349 78.301 1.00 0.00 N ATOM 455 CA ARG A 30 2.704 -11.664 77.732 1.00 0.00 C ATOM 456 C ARG A 30 2.485 -10.334 78.439 1.00 0.00 C ATOM 457 O ARG A 30 2.553 -10.231 79.648 1.00 0.00 O ATOM 458 CB ARG A 30 1.468 -12.533 77.934 1.00 0.00 C ATOM 459 CG ARG A 30 1.424 -13.022 79.385 1.00 0.00 C ATOM 460 CD ARG A 30 0.009 -12.861 79.953 1.00 0.00 C ATOM 461 NE ARG A 30 -0.985 -13.334 78.949 1.00 0.00 N ATOM 462 CZ ARG A 30 -2.226 -13.526 79.301 1.00 0.00 C ATOM 463 NH1 ARG A 30 -2.604 -13.275 80.524 1.00 0.00 N ATOM 464 NH2 ARG A 30 -3.094 -13.958 78.429 1.00 0.00 N ATOM 0 H ARG A 30 3.747 -12.765 79.221 1.00 0.00 H new ATOM 0 HA ARG A 30 2.872 -11.493 76.669 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.568 -11.964 77.703 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.492 -13.383 77.252 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.727 -14.068 79.434 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.133 -12.456 79.989 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.091 -13.431 80.876 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.178 -11.816 80.202 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.695 -13.508 77.987 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.929 -12.928 81.205 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.575 -13.425 80.799 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.803 -14.146 77.470 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.064 -14.108 78.706 1.00 0.00 H new ATOM 478 N THR A 31 2.211 -9.324 77.683 1.00 0.00 N ATOM 479 CA THR A 31 1.963 -7.985 78.271 1.00 0.00 C ATOM 480 C THR A 31 0.701 -8.030 79.132 1.00 0.00 C ATOM 481 O THR A 31 -0.395 -7.868 78.635 1.00 0.00 O ATOM 482 CB THR A 31 1.766 -6.969 77.143 1.00 0.00 C ATOM 483 OG1 THR A 31 0.949 -7.544 76.133 1.00 0.00 O ATOM 484 CG2 THR A 31 3.122 -6.584 76.549 1.00 0.00 C ATOM 0 H THR A 31 2.146 -9.365 76.666 1.00 0.00 H new ATOM 0 HA THR A 31 2.814 -7.695 78.887 1.00 0.00 H new ATOM 0 HB THR A 31 1.284 -6.075 77.540 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.107 -7.851 76.529 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.976 -5.861 75.747 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.747 -6.143 77.325 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.611 -7.473 76.151 1.00 0.00 H new ATOM 492 N LEU A 32 0.827 -8.225 80.417 1.00 0.00 N ATOM 493 CA LEU A 32 -0.405 -8.241 81.250 1.00 0.00 C ATOM 494 C LEU A 32 -0.904 -6.801 81.363 1.00 0.00 C ATOM 495 O LEU A 32 -2.088 -6.548 81.476 1.00 0.00 O ATOM 496 CB LEU A 32 -0.167 -8.881 82.642 1.00 0.00 C ATOM 497 CG LEU A 32 0.926 -8.176 83.474 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.243 -8.101 82.697 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.474 -6.767 83.892 1.00 0.00 C ATOM 0 H LEU A 32 1.706 -8.370 80.914 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.162 -8.865 80.775 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.102 -8.868 83.202 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.110 -9.927 82.508 1.00 0.00 H new ATOM 0 HG LEU A 32 1.091 -8.768 84.375 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.996 -7.600 83.305 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.582 -9.109 82.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.090 -7.541 81.775 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.261 -6.291 84.477 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.272 -6.171 83.002 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.432 -6.839 84.494 1.00 0.00 H new ATOM 511 N GLU A 33 -0.009 -5.853 81.277 1.00 0.00 N ATOM 512 CA GLU A 33 -0.421 -4.422 81.317 1.00 0.00 C ATOM 513 C GLU A 33 -0.779 -3.991 79.891 1.00 0.00 C ATOM 514 O GLU A 33 -1.910 -3.667 79.591 1.00 0.00 O ATOM 515 CB GLU A 33 0.730 -3.563 81.850 1.00 0.00 C ATOM 516 CG GLU A 33 0.412 -2.082 81.629 1.00 0.00 C ATOM 517 CD GLU A 33 1.392 -1.226 82.433 1.00 0.00 C ATOM 518 OE1 GLU A 33 1.817 -1.677 83.484 1.00 0.00 O ATOM 519 OE2 GLU A 33 1.700 -0.134 81.985 1.00 0.00 O ATOM 0 H GLU A 33 0.994 -6.010 81.180 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.280 -4.294 81.976 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.881 -3.758 82.912 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.658 -3.826 81.342 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.484 -1.838 80.569 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.612 -1.869 81.937 1.00 0.00 H new ATOM 526 N GLY A 34 0.186 -4.005 79.002 1.00 0.00 N ATOM 527 CA GLY A 34 -0.089 -3.614 77.586 1.00 0.00 C ATOM 528 C GLY A 34 1.220 -3.533 76.793 1.00 0.00 C ATOM 529 O GLY A 34 1.234 -3.666 75.582 1.00 0.00 O ATOM 0 H GLY A 34 1.151 -4.270 79.198 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.758 -4.341 77.124 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.598 -2.651 77.560 1.00 0.00 H new ATOM 533 N GLY A 35 2.318 -3.313 77.457 1.00 0.00 N ATOM 534 CA GLY A 35 3.625 -3.220 76.736 1.00 0.00 C ATOM 535 C GLY A 35 4.761 -3.594 77.689 1.00 0.00 C ATOM 536 O GLY A 35 5.916 -3.295 77.449 1.00 0.00 O ATOM 0 H GLY A 35 2.372 -3.193 78.468 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.625 -3.887 75.874 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.772 -2.209 76.357 1.00 0.00 H new ATOM 540 N ARG A 36 4.437 -4.247 78.773 1.00 0.00 N ATOM 541 CA ARG A 36 5.480 -4.649 79.759 1.00 0.00 C ATOM 542 C ARG A 36 5.493 -6.177 79.890 1.00 0.00 C ATOM 543 O ARG A 36 4.915 -6.880 79.087 1.00 0.00 O ATOM 544 CB ARG A 36 5.149 -4.014 81.113 1.00 0.00 C ATOM 545 CG ARG A 36 4.628 -2.589 80.888 1.00 0.00 C ATOM 546 CD ARG A 36 4.737 -1.778 82.183 1.00 0.00 C ATOM 547 NE ARG A 36 4.370 -0.356 81.911 1.00 0.00 N ATOM 548 CZ ARG A 36 4.108 0.454 82.902 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.183 0.027 84.133 1.00 0.00 N ATOM 550 NH2 ARG A 36 3.776 1.694 82.658 1.00 0.00 N ATOM 0 H ARG A 36 3.486 -4.521 79.019 1.00 0.00 H new ATOM 0 HA ARG A 36 6.461 -4.311 79.426 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.400 -4.610 81.634 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.037 -3.994 81.745 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.201 -2.105 80.097 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.590 -2.621 80.556 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.077 -2.196 82.943 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.752 -1.834 82.576 1.00 0.00 H new ATOM 0 HE ARG A 36 4.324 -0.017 80.950 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.446 -0.940 84.322 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.978 0.660 84.906 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.722 2.028 81.696 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.571 2.328 83.430 1.00 0.00 H new ATOM 564 N LYS A 37 6.152 -6.691 80.896 1.00 0.00 N ATOM 565 CA LYS A 37 6.211 -8.173 81.090 1.00 0.00 C ATOM 566 C LYS A 37 5.959 -8.490 82.580 1.00 0.00 C ATOM 567 O LYS A 37 6.113 -7.631 83.424 1.00 0.00 O ATOM 568 CB LYS A 37 7.593 -8.697 80.646 1.00 0.00 C ATOM 569 CG LYS A 37 8.591 -7.536 80.554 1.00 0.00 C ATOM 570 CD LYS A 37 8.873 -6.998 81.956 1.00 0.00 C ATOM 571 CE LYS A 37 9.647 -5.681 81.863 1.00 0.00 C ATOM 572 NZ LYS A 37 10.353 -5.607 80.553 1.00 0.00 N ATOM 0 H LYS A 37 6.655 -6.146 81.596 1.00 0.00 H new ATOM 0 HA LYS A 37 5.448 -8.664 80.487 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.954 -9.442 81.356 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.509 -9.193 79.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.517 -7.874 80.089 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.188 -6.744 79.923 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.936 -6.842 82.490 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.447 -7.728 82.526 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.964 -4.838 81.967 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.366 -5.612 82.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.057 -4.842 80.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.831 -6.511 80.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.664 -5.416 79.798 1.00 0.00 H new ATOM 586 N PRO A 38 5.543 -9.702 82.864 1.00 0.00 N ATOM 587 CA PRO A 38 5.240 -10.121 84.250 1.00 0.00 C ATOM 588 C PRO A 38 6.511 -10.218 85.116 1.00 0.00 C ATOM 589 O PRO A 38 6.602 -11.062 85.983 1.00 0.00 O ATOM 590 CB PRO A 38 4.593 -11.509 84.095 1.00 0.00 C ATOM 591 CG PRO A 38 4.839 -11.973 82.637 1.00 0.00 C ATOM 592 CD PRO A 38 5.329 -10.748 81.844 1.00 0.00 C ATOM 0 HA PRO A 38 4.596 -9.400 84.753 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.027 -12.216 84.802 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.525 -11.461 84.308 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.580 -12.772 82.608 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.923 -12.372 82.201 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.250 -10.968 81.304 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.592 -10.435 81.104 1.00 0.00 H new ATOM 600 N LEU A 39 7.489 -9.374 84.908 1.00 0.00 N ATOM 601 CA LEU A 39 8.728 -9.457 85.748 1.00 0.00 C ATOM 602 C LEU A 39 8.963 -8.114 86.454 1.00 0.00 C ATOM 603 O LEU A 39 9.675 -8.033 87.437 1.00 0.00 O ATOM 604 CB LEU A 39 9.927 -9.792 84.845 1.00 0.00 C ATOM 605 CG LEU A 39 11.148 -10.334 85.636 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.756 -10.936 86.992 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.843 -11.420 84.807 1.00 0.00 C ATOM 0 H LEU A 39 7.487 -8.638 84.202 1.00 0.00 H new ATOM 0 HA LEU A 39 8.612 -10.237 86.501 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.622 -10.532 84.105 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.224 -8.898 84.297 1.00 0.00 H new ATOM 0 HG LEU A 39 11.810 -9.489 85.823 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.649 -11.299 87.501 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.275 -10.173 87.604 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.065 -11.765 86.836 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.702 -11.804 85.358 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.143 -12.233 84.612 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.179 -10.996 83.861 1.00 0.00 H new ATOM 619 N HIS A 40 8.373 -7.057 85.966 1.00 0.00 N ATOM 620 CA HIS A 40 8.577 -5.729 86.619 1.00 0.00 C ATOM 621 C HIS A 40 7.773 -5.668 87.921 1.00 0.00 C ATOM 622 O HIS A 40 8.249 -5.186 88.929 1.00 0.00 O ATOM 623 CB HIS A 40 8.114 -4.616 85.676 1.00 0.00 C ATOM 624 CG HIS A 40 8.495 -3.279 86.253 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.683 -2.643 85.926 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.853 -2.446 87.135 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.718 -1.480 86.601 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.627 -1.310 87.353 1.00 0.00 N ATOM 0 H HIS A 40 7.762 -7.053 85.149 1.00 0.00 H new ATOM 0 HA HIS A 40 9.636 -5.595 86.842 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.570 -4.744 84.694 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.034 -4.669 85.536 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.894 -2.642 87.590 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.530 -0.770 86.542 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.408 -0.518 87.957 1.00 0.00 H new ATOM 636 N TYR A 41 6.567 -6.164 87.914 1.00 0.00 N ATOM 637 CA TYR A 41 5.746 -6.148 89.160 1.00 0.00 C ATOM 638 C TYR A 41 6.315 -7.183 90.126 1.00 0.00 C ATOM 639 O TYR A 41 6.381 -6.977 91.320 1.00 0.00 O ATOM 640 CB TYR A 41 4.301 -6.509 88.818 1.00 0.00 C ATOM 641 CG TYR A 41 3.943 -5.867 87.511 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.324 -6.474 86.310 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.248 -4.659 87.497 1.00 0.00 C ATOM 644 CE1 TYR A 41 4.005 -5.870 85.091 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.927 -4.054 86.281 1.00 0.00 C ATOM 646 CZ TYR A 41 3.306 -4.658 85.076 1.00 0.00 C ATOM 647 OH TYR A 41 2.989 -4.059 83.876 1.00 0.00 O ATOM 0 H TYR A 41 6.113 -6.580 87.101 1.00 0.00 H new ATOM 0 HA TYR A 41 5.770 -5.158 89.615 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.187 -7.591 88.752 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.629 -6.166 89.605 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.864 -7.409 86.325 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.958 -4.191 88.426 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.297 -6.338 84.162 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.386 -3.119 86.269 1.00 0.00 H new ATOM 0 HH TYR A 41 2.517 -3.217 84.045 1.00 0.00 H new ATOM 657 N ALA A 42 6.737 -8.297 89.596 1.00 0.00 N ATOM 658 CA ALA A 42 7.318 -9.368 90.446 1.00 0.00 C ATOM 659 C ALA A 42 8.649 -8.884 91.002 1.00 0.00 C ATOM 660 O ALA A 42 8.872 -8.860 92.191 1.00 0.00 O ATOM 661 CB ALA A 42 7.560 -10.610 89.584 1.00 0.00 C ATOM 0 H ALA A 42 6.703 -8.511 88.599 1.00 0.00 H new ATOM 0 HA ALA A 42 6.637 -9.610 91.262 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.987 -11.402 90.199 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.615 -10.949 89.160 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.251 -10.364 88.778 1.00 0.00 H new ATOM 667 N ALA A 43 9.535 -8.498 90.140 1.00 0.00 N ATOM 668 CA ALA A 43 10.856 -8.017 90.607 1.00 0.00 C ATOM 669 C ALA A 43 10.657 -6.900 91.635 1.00 0.00 C ATOM 670 O ALA A 43 11.091 -6.995 92.765 1.00 0.00 O ATOM 671 CB ALA A 43 11.629 -7.461 89.408 1.00 0.00 C ATOM 0 H ALA A 43 9.402 -8.494 89.129 1.00 0.00 H new ATOM 0 HA ALA A 43 11.409 -8.838 91.063 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.604 -7.103 89.738 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.763 -8.247 88.665 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.070 -6.636 88.966 1.00 0.00 H new ATOM 677 N ASP A 44 10.013 -5.838 91.241 1.00 0.00 N ATOM 678 CA ASP A 44 9.795 -4.687 92.164 1.00 0.00 C ATOM 679 C ASP A 44 9.045 -5.098 93.438 1.00 0.00 C ATOM 680 O ASP A 44 9.269 -4.540 94.492 1.00 0.00 O ATOM 681 CB ASP A 44 8.990 -3.615 91.438 1.00 0.00 C ATOM 682 CG ASP A 44 9.813 -3.069 90.271 1.00 0.00 C ATOM 683 OD1 ASP A 44 11.026 -3.187 90.322 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.217 -2.544 89.347 1.00 0.00 O ATOM 0 H ASP A 44 9.623 -5.716 90.307 1.00 0.00 H new ATOM 0 HA ASP A 44 10.773 -4.309 92.462 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.052 -4.033 91.072 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.733 -2.809 92.125 1.00 0.00 H new ATOM 689 N CYS A 45 8.153 -6.043 93.365 1.00 0.00 N ATOM 690 CA CYS A 45 7.398 -6.431 94.596 1.00 0.00 C ATOM 691 C CYS A 45 6.794 -7.817 94.410 1.00 0.00 C ATOM 692 O CYS A 45 5.590 -7.989 94.442 1.00 0.00 O ATOM 693 CB CYS A 45 6.256 -5.441 94.828 1.00 0.00 C ATOM 694 SG CYS A 45 6.917 -3.836 95.342 1.00 0.00 S ATOM 0 H CYS A 45 7.913 -6.561 92.520 1.00 0.00 H new ATOM 0 HA CYS A 45 8.081 -6.428 95.445 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.672 -5.327 93.914 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.580 -5.826 95.592 1.00 0.00 H new ATOM 0 HG CYS A 45 8.212 -3.842 95.225 1.00 0.00 H new ATOM 700 N GLY A 46 7.619 -8.802 94.208 1.00 0.00 N ATOM 701 CA GLY A 46 7.101 -10.187 94.007 1.00 0.00 C ATOM 702 C GLY A 46 7.529 -11.079 95.167 1.00 0.00 C ATOM 703 O GLY A 46 7.829 -12.244 94.982 1.00 0.00 O ATOM 0 H GLY A 46 8.634 -8.711 94.173 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.014 -10.170 93.933 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.478 -10.592 93.068 1.00 0.00 H new ATOM 707 N GLN A 47 7.578 -10.558 96.357 1.00 0.00 N ATOM 708 CA GLN A 47 8.010 -11.403 97.502 1.00 0.00 C ATOM 709 C GLN A 47 9.316 -12.095 97.112 1.00 0.00 C ATOM 710 O GLN A 47 9.774 -13.021 97.752 1.00 0.00 O ATOM 711 CB GLN A 47 6.924 -12.430 97.813 1.00 0.00 C ATOM 712 CG GLN A 47 5.742 -11.721 98.473 1.00 0.00 C ATOM 713 CD GLN A 47 5.253 -10.591 97.569 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.109 -10.772 96.377 1.00 0.00 O ATOM 715 NE2 GLN A 47 4.993 -9.424 98.087 1.00 0.00 N ATOM 0 H GLN A 47 7.340 -9.593 96.587 1.00 0.00 H new ATOM 0 HA GLN A 47 8.170 -10.798 98.394 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.602 -12.926 96.897 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.316 -13.203 98.474 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.935 -12.430 98.655 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.040 -11.322 99.443 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.114 -9.272 99.088 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.668 -8.662 97.491 1.00 0.00 H new ATOM 724 N LEU A 48 9.914 -11.607 96.060 1.00 0.00 N ATOM 725 CA LEU A 48 11.213 -12.144 95.563 1.00 0.00 C ATOM 726 C LEU A 48 11.096 -13.611 95.162 1.00 0.00 C ATOM 727 O LEU A 48 12.053 -14.229 94.737 1.00 0.00 O ATOM 728 CB LEU A 48 12.271 -11.971 96.642 1.00 0.00 C ATOM 729 CG LEU A 48 12.691 -10.484 96.778 1.00 0.00 C ATOM 730 CD1 LEU A 48 11.885 -9.553 95.852 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.490 -10.017 98.225 1.00 0.00 C ATOM 0 H LEU A 48 9.544 -10.834 95.507 1.00 0.00 H new ATOM 0 HA LEU A 48 11.501 -11.587 94.672 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.885 -12.332 97.595 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.144 -12.578 96.401 1.00 0.00 H new ATOM 0 HG LEU A 48 13.740 -10.427 96.489 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.220 -8.525 95.989 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.038 -9.850 94.815 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.825 -9.625 96.097 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.787 -8.972 98.315 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.440 -10.121 98.498 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.100 -10.626 98.892 1.00 0.00 H new ATOM 743 N GLU A 49 9.935 -14.165 95.262 1.00 0.00 N ATOM 744 CA GLU A 49 9.743 -15.580 94.842 1.00 0.00 C ATOM 745 C GLU A 49 9.115 -15.592 93.448 1.00 0.00 C ATOM 746 O GLU A 49 9.402 -16.435 92.620 1.00 0.00 O ATOM 747 CB GLU A 49 8.813 -16.301 95.822 1.00 0.00 C ATOM 748 CG GLU A 49 7.717 -15.342 96.286 1.00 0.00 C ATOM 749 CD GLU A 49 6.735 -16.086 97.193 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.041 -16.957 96.693 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.694 -15.775 98.373 1.00 0.00 O ATOM 0 H GLU A 49 9.099 -13.702 95.618 1.00 0.00 H new ATOM 0 HA GLU A 49 10.706 -16.091 94.831 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.368 -17.173 95.343 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.381 -16.663 96.679 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.158 -14.502 96.822 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.192 -14.930 95.425 1.00 0.00 H new ATOM 758 N ILE A 50 8.238 -14.661 93.204 1.00 0.00 N ATOM 759 CA ILE A 50 7.540 -14.588 91.892 1.00 0.00 C ATOM 760 C ILE A 50 8.528 -14.339 90.755 1.00 0.00 C ATOM 761 O ILE A 50 8.463 -14.968 89.717 1.00 0.00 O ATOM 762 CB ILE A 50 6.536 -13.436 91.941 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.591 -13.617 93.159 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.755 -13.389 90.623 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.112 -13.503 92.758 1.00 0.00 C ATOM 0 H ILE A 50 7.971 -13.936 93.869 1.00 0.00 H new ATOM 0 HA ILE A 50 7.037 -15.537 91.707 1.00 0.00 H new ATOM 0 HB ILE A 50 7.058 -12.487 92.062 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.769 -14.591 93.616 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.822 -12.864 93.913 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.038 -12.569 90.654 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.447 -13.235 89.795 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.224 -14.330 90.481 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.485 -13.636 93.639 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.927 -12.520 92.326 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.874 -14.273 92.024 1.00 0.00 H new ATOM 777 N LEU A 51 9.431 -13.426 90.920 1.00 0.00 N ATOM 778 CA LEU A 51 10.383 -13.156 89.822 1.00 0.00 C ATOM 779 C LEU A 51 11.109 -14.456 89.474 1.00 0.00 C ATOM 780 O LEU A 51 11.159 -14.864 88.340 1.00 0.00 O ATOM 781 CB LEU A 51 11.410 -12.049 90.176 1.00 0.00 C ATOM 782 CG LEU A 51 11.570 -11.784 91.688 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.253 -11.338 92.340 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.122 -13.028 92.380 1.00 0.00 C ATOM 0 H LEU A 51 9.551 -12.859 91.760 1.00 0.00 H new ATOM 0 HA LEU A 51 9.816 -12.789 88.967 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.380 -12.326 89.764 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.109 -11.122 89.687 1.00 0.00 H new ATOM 0 HG LEU A 51 12.277 -10.963 91.808 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.414 -11.163 93.404 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.907 -10.418 91.869 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.501 -12.116 92.210 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.232 -12.832 93.447 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.435 -13.861 92.233 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.094 -13.280 91.955 1.00 0.00 H new ATOM 796 N GLU A 52 11.661 -15.106 90.450 1.00 0.00 N ATOM 797 CA GLU A 52 12.382 -16.384 90.208 1.00 0.00 C ATOM 798 C GLU A 52 11.446 -17.407 89.556 1.00 0.00 C ATOM 799 O GLU A 52 11.854 -18.223 88.756 1.00 0.00 O ATOM 800 CB GLU A 52 12.859 -16.939 91.560 1.00 0.00 C ATOM 801 CG GLU A 52 14.156 -17.725 91.378 1.00 0.00 C ATOM 802 CD GLU A 52 13.999 -18.729 90.236 1.00 0.00 C ATOM 803 OE1 GLU A 52 13.137 -19.586 90.340 1.00 0.00 O ATOM 804 OE2 GLU A 52 14.747 -18.626 89.277 1.00 0.00 O ATOM 0 H GLU A 52 11.645 -14.803 91.424 1.00 0.00 H new ATOM 0 HA GLU A 52 13.227 -16.202 89.544 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.016 -16.121 92.262 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.091 -17.584 91.988 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.978 -17.042 91.163 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.408 -18.247 92.301 1.00 0.00 H new ATOM 811 N PHE A 53 10.201 -17.393 89.940 1.00 0.00 N ATOM 812 CA PHE A 53 9.228 -18.384 89.409 1.00 0.00 C ATOM 813 C PHE A 53 9.091 -18.309 87.888 1.00 0.00 C ATOM 814 O PHE A 53 9.666 -19.088 87.168 1.00 0.00 O ATOM 815 CB PHE A 53 7.855 -18.134 90.030 1.00 0.00 C ATOM 816 CG PHE A 53 6.854 -19.067 89.394 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.998 -20.451 89.546 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.791 -18.552 88.643 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.077 -21.320 88.950 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.870 -19.420 88.047 1.00 0.00 C ATOM 821 CZ PHE A 53 5.013 -20.805 88.201 1.00 0.00 C ATOM 0 H PHE A 53 9.812 -16.728 90.608 1.00 0.00 H new ATOM 0 HA PHE A 53 9.604 -19.374 89.669 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.893 -18.299 91.107 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.555 -17.097 89.876 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.820 -20.848 90.123 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.682 -17.484 88.524 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.187 -22.388 89.068 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.049 -19.023 87.468 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.302 -21.476 87.742 1.00 0.00 H new ATOM 831 N LEU A 54 8.281 -17.417 87.407 1.00 0.00 N ATOM 832 CA LEU A 54 8.047 -17.338 85.941 1.00 0.00 C ATOM 833 C LEU A 54 9.367 -17.222 85.171 1.00 0.00 C ATOM 834 O LEU A 54 9.420 -17.492 83.986 1.00 0.00 O ATOM 835 CB LEU A 54 7.134 -16.148 85.618 1.00 0.00 C ATOM 836 CG LEU A 54 7.244 -15.064 86.688 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.698 -14.631 86.833 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.398 -13.862 86.267 1.00 0.00 C ATOM 0 H LEU A 54 7.768 -16.735 87.966 1.00 0.00 H new ATOM 0 HA LEU A 54 7.558 -18.260 85.626 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.403 -15.733 84.647 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.101 -16.488 85.545 1.00 0.00 H new ATOM 0 HG LEU A 54 6.888 -15.454 87.642 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.773 -13.857 87.597 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.306 -15.488 87.123 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.057 -14.237 85.882 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.470 -13.083 87.025 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.762 -13.477 85.315 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.358 -14.169 86.160 1.00 0.00 H new ATOM 850 N LEU A 55 10.434 -16.853 85.816 1.00 0.00 N ATOM 851 CA LEU A 55 11.730 -16.761 85.086 1.00 0.00 C ATOM 852 C LEU A 55 12.218 -18.175 84.762 1.00 0.00 C ATOM 853 O LEU A 55 12.664 -18.455 83.669 1.00 0.00 O ATOM 854 CB LEU A 55 12.775 -16.049 85.966 1.00 0.00 C ATOM 855 CG LEU A 55 13.771 -15.245 85.107 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.531 -14.264 86.011 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.778 -16.187 84.422 1.00 0.00 C ATOM 0 H LEU A 55 10.469 -16.613 86.807 1.00 0.00 H new ATOM 0 HA LEU A 55 11.592 -16.194 84.166 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.272 -15.381 86.665 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.315 -16.785 86.561 1.00 0.00 H new ATOM 0 HG LEU A 55 13.220 -14.703 84.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.238 -13.690 85.412 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.824 -13.585 86.486 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.071 -14.820 86.777 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.473 -15.601 83.820 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.332 -16.741 85.180 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.243 -16.887 83.780 1.00 0.00 H new ATOM 869 N LEU A 56 12.149 -19.066 85.711 1.00 0.00 N ATOM 870 CA LEU A 56 12.630 -20.450 85.457 1.00 0.00 C ATOM 871 C LEU A 56 11.796 -21.098 84.355 1.00 0.00 C ATOM 872 O LEU A 56 12.293 -21.884 83.574 1.00 0.00 O ATOM 873 CB LEU A 56 12.603 -21.278 86.750 1.00 0.00 C ATOM 874 CG LEU A 56 11.163 -21.641 87.158 1.00 0.00 C ATOM 875 CD1 LEU A 56 10.885 -23.110 86.829 1.00 0.00 C ATOM 876 CD2 LEU A 56 10.983 -21.431 88.670 1.00 0.00 C ATOM 0 H LEU A 56 11.782 -18.896 86.647 1.00 0.00 H new ATOM 0 HA LEU A 56 13.665 -20.411 85.118 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.184 -22.190 86.611 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.079 -20.716 87.553 1.00 0.00 H new ATOM 0 HG LEU A 56 10.471 -21.002 86.610 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.865 -23.361 87.120 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.008 -23.273 85.758 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.584 -23.744 87.375 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.963 -21.689 88.954 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.683 -22.068 89.212 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.176 -20.387 88.918 1.00 0.00 H new ATOM 888 N LYS A 57 10.549 -20.744 84.243 1.00 0.00 N ATOM 889 CA LYS A 57 9.734 -21.317 83.143 1.00 0.00 C ATOM 890 C LYS A 57 10.366 -20.800 81.850 1.00 0.00 C ATOM 891 O LYS A 57 11.216 -21.440 81.262 1.00 0.00 O ATOM 892 CB LYS A 57 8.268 -20.846 83.270 1.00 0.00 C ATOM 893 CG LYS A 57 7.301 -21.958 82.811 1.00 0.00 C ATOM 894 CD LYS A 57 6.620 -22.600 84.027 1.00 0.00 C ATOM 895 CE LYS A 57 7.640 -23.425 84.815 1.00 0.00 C ATOM 896 NZ LYS A 57 8.075 -24.594 83.998 1.00 0.00 N ATOM 0 H LYS A 57 10.064 -20.090 84.858 1.00 0.00 H new ATOM 0 HA LYS A 57 9.720 -22.407 83.166 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.055 -20.575 84.304 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.114 -19.951 82.668 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.549 -21.543 82.140 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.846 -22.715 82.248 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.192 -21.828 84.666 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.797 -23.236 83.701 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.501 -22.808 85.073 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.201 -23.767 85.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.113 -25.442 84.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.398 -24.748 83.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.018 -24.408 83.601 1.00 0.00 H new ATOM 910 N GLY A 58 10.010 -19.612 81.443 1.00 0.00 N ATOM 911 CA GLY A 58 10.639 -19.005 80.244 1.00 0.00 C ATOM 912 C GLY A 58 11.812 -18.149 80.737 1.00 0.00 C ATOM 913 O GLY A 58 12.743 -18.654 81.331 1.00 0.00 O ATOM 0 H GLY A 58 9.303 -19.034 81.897 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.987 -19.778 79.558 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.919 -18.395 79.698 1.00 0.00 H new ATOM 917 N ALA A 59 11.760 -16.857 80.537 1.00 0.00 N ATOM 918 CA ALA A 59 12.860 -15.979 81.042 1.00 0.00 C ATOM 919 C ALA A 59 12.751 -14.574 80.446 1.00 0.00 C ATOM 920 O ALA A 59 13.503 -14.205 79.566 1.00 0.00 O ATOM 921 CB ALA A 59 14.223 -16.583 80.696 1.00 0.00 C ATOM 0 H ALA A 59 11.007 -16.373 80.048 1.00 0.00 H new ATOM 0 HA ALA A 59 12.765 -15.907 82.125 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.014 -15.933 81.070 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.313 -17.566 81.157 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.314 -16.680 79.614 1.00 0.00 H new ATOM 927 N ASP A 60 11.844 -13.780 80.950 1.00 0.00 N ATOM 928 CA ASP A 60 11.706 -12.383 80.452 1.00 0.00 C ATOM 929 C ASP A 60 12.890 -11.594 80.995 1.00 0.00 C ATOM 930 O ASP A 60 13.041 -10.410 80.774 1.00 0.00 O ATOM 931 CB ASP A 60 10.397 -11.781 80.967 1.00 0.00 C ATOM 932 CG ASP A 60 10.291 -10.323 80.514 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.797 -9.466 81.221 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.695 -10.088 79.476 1.00 0.00 O ATOM 0 H ASP A 60 11.191 -14.041 81.688 1.00 0.00 H new ATOM 0 HA ASP A 60 11.691 -12.355 79.362 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.549 -12.352 80.590 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.362 -11.838 82.055 1.00 0.00 H new ATOM 939 N ILE A 61 13.725 -12.282 81.710 1.00 0.00 N ATOM 940 CA ILE A 61 14.934 -11.673 82.317 1.00 0.00 C ATOM 941 C ILE A 61 15.702 -10.839 81.290 1.00 0.00 C ATOM 942 O ILE A 61 16.478 -9.971 81.639 1.00 0.00 O ATOM 943 CB ILE A 61 15.825 -12.822 82.774 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.981 -12.298 83.623 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.392 -13.543 81.543 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.940 -13.456 83.928 1.00 0.00 C ATOM 0 H ILE A 61 13.616 -13.277 81.906 1.00 0.00 H new ATOM 0 HA ILE A 61 14.647 -11.020 83.141 1.00 0.00 H new ATOM 0 HB ILE A 61 15.230 -13.511 83.373 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.507 -11.503 83.094 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.603 -11.868 84.550 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.030 -14.366 81.865 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.572 -13.934 80.941 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.977 -12.842 80.948 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.769 -13.092 84.534 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.407 -14.236 84.473 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.326 -13.865 82.994 1.00 0.00 H new ATOM 958 N ASN A 62 15.517 -11.120 80.032 1.00 0.00 N ATOM 959 CA ASN A 62 16.269 -10.379 78.975 1.00 0.00 C ATOM 960 C ASN A 62 15.339 -9.996 77.812 1.00 0.00 C ATOM 961 O ASN A 62 15.564 -9.021 77.118 1.00 0.00 O ATOM 962 CB ASN A 62 17.388 -11.284 78.451 1.00 0.00 C ATOM 963 CG ASN A 62 16.818 -12.669 78.129 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.552 -12.912 78.351 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.530 -13.539 77.672 1.00 0.00 N flip ATOM 0 H ASN A 62 14.875 -11.833 79.686 1.00 0.00 H new ATOM 0 HA ASN A 62 16.681 -9.465 79.402 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.835 -10.847 77.558 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.180 -11.369 79.195 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.517 -13.351 77.498 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.141 -14.458 77.462 1.00 0.00 H new ATOM 972 N ALA A 63 14.303 -10.767 77.613 1.00 0.00 N ATOM 973 CA ALA A 63 13.306 -10.515 76.517 1.00 0.00 C ATOM 974 C ALA A 63 13.279 -9.044 76.045 1.00 0.00 C ATOM 975 O ALA A 63 13.399 -8.797 74.861 1.00 0.00 O ATOM 976 CB ALA A 63 11.912 -10.917 77.015 1.00 0.00 C ATOM 0 H ALA A 63 14.096 -11.589 78.181 1.00 0.00 H new ATOM 0 HA ALA A 63 13.608 -11.114 75.658 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.179 -10.739 76.228 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.911 -11.975 77.279 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.654 -10.324 77.892 1.00 0.00 H new ATOM 982 N PRO A 64 13.105 -8.110 76.958 1.00 0.00 N ATOM 983 CA PRO A 64 13.028 -6.674 76.647 1.00 0.00 C ATOM 984 C PRO A 64 13.604 -6.284 75.279 1.00 0.00 C ATOM 985 O PRO A 64 14.672 -6.693 74.871 1.00 0.00 O ATOM 986 CB PRO A 64 13.770 -6.050 77.827 1.00 0.00 C ATOM 987 CG PRO A 64 13.605 -7.059 79.006 1.00 0.00 C ATOM 988 CD PRO A 64 12.998 -8.350 78.407 1.00 0.00 C ATOM 0 HA PRO A 64 12.002 -6.322 76.543 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.822 -5.893 77.590 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.352 -5.076 78.083 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.567 -7.266 79.476 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.955 -6.648 79.778 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.551 -9.238 78.713 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.964 -8.495 78.719 1.00 0.00 H new ATOM 996 N ASP A 65 12.854 -5.462 74.587 1.00 0.00 N ATOM 997 CA ASP A 65 13.249 -4.960 73.244 1.00 0.00 C ATOM 998 C ASP A 65 12.813 -3.495 73.162 1.00 0.00 C ATOM 999 O ASP A 65 13.533 -2.633 72.700 1.00 0.00 O ATOM 1000 CB ASP A 65 12.514 -5.764 72.163 1.00 0.00 C ATOM 1001 CG ASP A 65 13.222 -7.101 71.930 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.438 -7.127 72.001 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.529 -8.074 71.683 1.00 0.00 O ATOM 0 H ASP A 65 11.954 -5.110 74.914 1.00 0.00 H new ATOM 0 HA ASP A 65 14.324 -5.060 73.092 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.482 -5.938 72.467 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.481 -5.194 71.234 1.00 0.00 H new ATOM 1008 N LYS A 66 11.621 -3.224 73.626 1.00 0.00 N ATOM 1009 CA LYS A 66 11.081 -1.842 73.615 1.00 0.00 C ATOM 1010 C LYS A 66 11.490 -1.127 74.905 1.00 0.00 C ATOM 1011 O LYS A 66 11.714 0.066 74.931 1.00 0.00 O ATOM 1012 CB LYS A 66 9.559 -1.928 73.541 1.00 0.00 C ATOM 1013 CG LYS A 66 8.987 -0.609 73.028 1.00 0.00 C ATOM 1014 CD LYS A 66 8.928 0.429 74.163 1.00 0.00 C ATOM 1015 CE LYS A 66 7.797 1.429 73.907 1.00 0.00 C ATOM 1016 NZ LYS A 66 8.170 2.315 72.769 1.00 0.00 N ATOM 0 H LYS A 66 10.989 -3.922 74.020 1.00 0.00 H new ATOM 0 HA LYS A 66 11.471 -1.288 72.761 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.264 -2.743 72.880 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.151 -2.152 74.526 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.604 -0.231 72.213 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.988 -0.772 72.623 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.770 -0.073 75.117 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.880 0.956 74.234 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.872 0.899 73.682 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.614 2.025 74.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.403 2.995 72.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.043 2.830 73.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.324 1.739 71.917 1.00 0.00 H new ATOM 1030 N HIS A 67 11.586 -1.860 75.975 1.00 0.00 N ATOM 1031 CA HIS A 67 11.970 -1.257 77.276 1.00 0.00 C ATOM 1032 C HIS A 67 13.480 -1.029 77.304 1.00 0.00 C ATOM 1033 O HIS A 67 14.010 -0.429 78.219 1.00 0.00 O ATOM 1034 CB HIS A 67 11.597 -2.227 78.396 1.00 0.00 C ATOM 1035 CG HIS A 67 10.124 -2.152 78.674 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.234 -1.550 77.798 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.368 -2.611 79.722 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.003 -1.666 78.330 1.00 0.00 C ATOM 1039 NE2 HIS A 67 8.028 -2.303 79.505 1.00 0.00 N ATOM 0 H HIS A 67 11.412 -2.865 76.003 1.00 0.00 H new ATOM 0 HA HIS A 67 11.452 -0.307 77.409 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.870 -3.244 78.113 1.00 0.00 H new ATOM 0 HB3 HIS A 67 12.158 -1.985 79.299 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.754 -3.133 80.585 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.104 -1.290 77.864 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.236 -2.517 80.111 1.00 0.00 H new ATOM 1047 N HIS A 68 14.173 -1.509 76.312 1.00 0.00 N ATOM 1048 CA HIS A 68 15.652 -1.334 76.273 1.00 0.00 C ATOM 1049 C HIS A 68 16.235 -1.589 77.665 1.00 0.00 C ATOM 1050 O HIS A 68 17.281 -1.078 78.012 1.00 0.00 O ATOM 1051 CB HIS A 68 15.979 0.098 75.840 1.00 0.00 C ATOM 1052 CG HIS A 68 17.408 0.177 75.372 1.00 0.00 C ATOM 1053 ND1 HIS A 68 18.479 -0.146 76.193 1.00 0.00 N ATOM 1054 CD2 HIS A 68 17.958 0.552 74.171 1.00 0.00 C ATOM 1055 CE1 HIS A 68 19.606 0.041 75.481 1.00 0.00 C ATOM 1056 NE2 HIS A 68 19.346 0.465 74.242 1.00 0.00 N ATOM 0 H HIS A 68 13.778 -2.018 75.521 1.00 0.00 H new ATOM 0 HA HIS A 68 16.084 -2.041 75.564 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.307 0.408 75.040 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.821 0.784 76.672 1.00 0.00 H new ATOM 0 HD1 HIS A 68 18.423 -0.467 77.160 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.399 0.867 73.302 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.600 -0.131 75.866 1.00 0.00 H new ATOM 1064 N ILE A 69 15.573 -2.375 78.474 1.00 0.00 N ATOM 1065 CA ILE A 69 16.114 -2.637 79.833 1.00 0.00 C ATOM 1066 C ILE A 69 15.669 -4.001 80.339 1.00 0.00 C ATOM 1067 O ILE A 69 14.617 -4.506 80.002 1.00 0.00 O ATOM 1068 CB ILE A 69 15.616 -1.555 80.808 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.805 -0.973 81.587 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.591 -2.142 81.802 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.518 -2.079 82.374 1.00 0.00 C ATOM 0 H ILE A 69 14.692 -2.840 78.253 1.00 0.00 H new ATOM 0 HA ILE A 69 17.202 -2.618 79.776 1.00 0.00 H new ATOM 0 HB ILE A 69 15.132 -0.768 80.230 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.504 -0.500 80.897 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.457 -0.198 82.270 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.253 -1.359 82.481 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.737 -2.539 81.252 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.058 -2.943 82.375 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.358 -1.652 82.921 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.820 -2.533 83.077 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.883 -2.839 81.684 1.00 0.00 H new ATOM 1083 N THR A 70 16.477 -4.576 81.183 1.00 0.00 N ATOM 1084 CA THR A 70 16.155 -5.892 81.788 1.00 0.00 C ATOM 1085 C THR A 70 15.670 -5.644 83.230 1.00 0.00 C ATOM 1086 O THR A 70 15.886 -4.577 83.766 1.00 0.00 O ATOM 1087 CB THR A 70 17.405 -6.764 81.746 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.375 -7.683 82.823 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.646 -5.864 81.827 1.00 0.00 C ATOM 0 H THR A 70 17.367 -4.178 81.484 1.00 0.00 H new ATOM 0 HA THR A 70 15.367 -6.411 81.242 1.00 0.00 H new ATOM 0 HB THR A 70 17.441 -7.328 80.814 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.199 -8.584 82.480 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.545 -6.480 81.798 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.651 -5.174 80.983 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.625 -5.298 82.758 1.00 0.00 H new ATOM 1097 N PRO A 71 14.968 -6.589 83.804 1.00 0.00 N ATOM 1098 CA PRO A 71 14.385 -6.409 85.151 1.00 0.00 C ATOM 1099 C PRO A 71 15.419 -6.348 86.294 1.00 0.00 C ATOM 1100 O PRO A 71 15.093 -5.890 87.370 1.00 0.00 O ATOM 1101 CB PRO A 71 13.437 -7.608 85.319 1.00 0.00 C ATOM 1102 CG PRO A 71 13.438 -8.384 83.976 1.00 0.00 C ATOM 1103 CD PRO A 71 14.667 -7.896 83.190 1.00 0.00 C ATOM 0 HA PRO A 71 13.883 -5.444 85.219 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.769 -8.250 86.135 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.431 -7.271 85.568 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.490 -9.459 84.149 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.521 -8.195 83.418 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.505 -8.587 83.284 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.451 -7.800 82.126 1.00 0.00 H new ATOM 1111 N LEU A 72 16.645 -6.795 86.131 1.00 0.00 N ATOM 1112 CA LEU A 72 17.561 -6.701 87.308 1.00 0.00 C ATOM 1113 C LEU A 72 17.579 -5.259 87.799 1.00 0.00 C ATOM 1114 O LEU A 72 17.588 -5.002 88.984 1.00 0.00 O ATOM 1115 CB LEU A 72 19.025 -7.134 87.017 1.00 0.00 C ATOM 1116 CG LEU A 72 19.192 -8.056 85.794 1.00 0.00 C ATOM 1117 CD1 LEU A 72 18.080 -9.110 85.700 1.00 0.00 C ATOM 1118 CD2 LEU A 72 19.252 -7.212 84.520 1.00 0.00 C ATOM 0 H LEU A 72 17.034 -7.200 85.279 1.00 0.00 H new ATOM 0 HA LEU A 72 17.171 -7.393 88.054 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.631 -6.240 86.867 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.420 -7.643 87.896 1.00 0.00 H new ATOM 0 HG LEU A 72 20.128 -8.603 85.912 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.244 -9.734 84.821 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.092 -9.732 86.595 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.114 -8.613 85.617 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.370 -7.866 83.656 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.330 -6.640 84.419 1.00 0.00 H new ATOM 0 HD23 LEU A 72 20.099 -6.528 84.576 1.00 0.00 H new ATOM 1130 N LEU A 73 17.580 -4.316 86.905 1.00 0.00 N ATOM 1131 CA LEU A 73 17.594 -2.900 87.349 1.00 0.00 C ATOM 1132 C LEU A 73 16.221 -2.528 87.907 1.00 0.00 C ATOM 1133 O LEU A 73 16.088 -1.623 88.700 1.00 0.00 O ATOM 1134 CB LEU A 73 17.976 -1.991 86.178 1.00 0.00 C ATOM 1135 CG LEU A 73 19.336 -2.447 85.612 1.00 0.00 C ATOM 1136 CD1 LEU A 73 19.143 -3.561 84.568 1.00 0.00 C ATOM 1137 CD2 LEU A 73 20.070 -1.250 84.982 1.00 0.00 C ATOM 0 H LEU A 73 17.572 -4.462 85.895 1.00 0.00 H new ATOM 0 HA LEU A 73 18.336 -2.768 88.137 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.212 -2.035 85.402 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.035 -0.954 86.510 1.00 0.00 H new ATOM 0 HG LEU A 73 19.938 -2.844 86.430 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.114 -3.869 84.181 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.651 -4.415 85.034 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.527 -3.189 83.749 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.030 -1.580 84.584 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.466 -0.837 84.175 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.235 -0.484 85.740 1.00 0.00 H new ATOM 1149 N SER A 74 15.199 -3.227 87.513 1.00 0.00 N ATOM 1150 CA SER A 74 13.849 -2.913 88.040 1.00 0.00 C ATOM 1151 C SER A 74 13.877 -2.992 89.569 1.00 0.00 C ATOM 1152 O SER A 74 13.393 -2.115 90.264 1.00 0.00 O ATOM 1153 CB SER A 74 12.836 -3.914 87.481 1.00 0.00 C ATOM 1154 OG SER A 74 11.545 -3.615 87.990 1.00 0.00 O ATOM 0 H SER A 74 15.240 -4.001 86.850 1.00 0.00 H new ATOM 0 HA SER A 74 13.557 -1.908 87.736 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.828 -3.870 86.392 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.121 -4.929 87.757 1.00 0.00 H new ATOM 0 HG SER A 74 11.498 -3.871 88.935 1.00 0.00 H new ATOM 1160 N ALA A 75 14.455 -4.035 90.101 1.00 0.00 N ATOM 1161 CA ALA A 75 14.524 -4.172 91.589 1.00 0.00 C ATOM 1162 C ALA A 75 15.506 -3.146 92.155 1.00 0.00 C ATOM 1163 O ALA A 75 15.334 -2.641 93.245 1.00 0.00 O ATOM 1164 CB ALA A 75 14.986 -5.587 91.952 1.00 0.00 C ATOM 0 H ALA A 75 14.882 -4.797 89.574 1.00 0.00 H new ATOM 0 HA ALA A 75 13.537 -3.995 92.015 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.036 -5.686 93.036 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.279 -6.314 91.553 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.972 -5.768 91.525 1.00 0.00 H new ATOM 1170 N VAL A 76 16.539 -2.838 91.427 1.00 0.00 N ATOM 1171 CA VAL A 76 17.538 -1.852 91.924 1.00 0.00 C ATOM 1172 C VAL A 76 16.810 -0.633 92.516 1.00 0.00 C ATOM 1173 O VAL A 76 16.854 -0.399 93.708 1.00 0.00 O ATOM 1174 CB VAL A 76 18.446 -1.455 90.751 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.285 -0.218 91.076 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.384 -2.626 90.448 1.00 0.00 C ATOM 0 H VAL A 76 16.737 -3.227 90.505 1.00 0.00 H new ATOM 0 HA VAL A 76 18.151 -2.283 92.715 1.00 0.00 H new ATOM 0 HB VAL A 76 17.817 -1.218 89.893 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.914 0.030 90.221 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.625 0.621 91.297 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.915 -0.423 91.942 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.038 -2.363 89.616 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.988 -2.846 91.329 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.796 -3.504 90.183 1.00 0.00 H new ATOM 1186 N TYR A 77 16.133 0.136 91.706 1.00 0.00 N ATOM 1187 CA TYR A 77 15.401 1.324 92.243 1.00 0.00 C ATOM 1188 C TYR A 77 14.166 0.838 93.013 1.00 0.00 C ATOM 1189 O TYR A 77 13.065 1.310 92.801 1.00 0.00 O ATOM 1190 CB TYR A 77 14.962 2.235 91.082 1.00 0.00 C ATOM 1191 CG TYR A 77 15.848 2.003 89.887 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.014 2.758 89.727 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.503 1.036 88.938 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.835 2.548 88.613 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.322 0.825 87.824 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.489 1.578 87.662 1.00 0.00 C ATOM 1197 OH TYR A 77 18.299 1.368 86.564 1.00 0.00 O ATOM 0 H TYR A 77 16.054 -0.005 90.699 1.00 0.00 H new ATOM 0 HA TYR A 77 16.054 1.889 92.908 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.923 2.031 90.821 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.015 3.280 91.388 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.281 3.503 90.462 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.604 0.452 89.065 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.734 3.133 88.486 1.00 0.00 H new ATOM 0 HE2 TYR A 77 16.053 0.081 87.089 1.00 0.00 H new ATOM 0 HH TYR A 77 17.755 1.381 85.749 1.00 0.00 H new ATOM 1207 N GLU A 78 14.337 -0.115 93.894 1.00 0.00 N ATOM 1208 CA GLU A 78 13.167 -0.645 94.661 1.00 0.00 C ATOM 1209 C GLU A 78 13.518 -0.759 96.146 1.00 0.00 C ATOM 1210 O GLU A 78 12.685 -0.580 97.013 1.00 0.00 O ATOM 1211 CB GLU A 78 12.830 -2.045 94.126 1.00 0.00 C ATOM 1212 CG GLU A 78 11.371 -2.411 94.425 1.00 0.00 C ATOM 1213 CD GLU A 78 10.916 -1.780 95.742 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.164 -2.375 96.779 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.324 -0.714 95.693 1.00 0.00 O ATOM 0 H GLU A 78 15.233 -0.549 94.116 1.00 0.00 H new ATOM 0 HA GLU A 78 12.320 0.031 94.544 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.004 -2.079 93.051 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.494 -2.781 94.580 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.731 -2.069 93.612 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.266 -3.495 94.479 1.00 0.00 H new ATOM 1222 N GLY A 79 14.738 -1.097 96.447 1.00 0.00 N ATOM 1223 CA GLY A 79 15.127 -1.274 97.869 1.00 0.00 C ATOM 1224 C GLY A 79 14.999 -2.761 98.181 1.00 0.00 C ATOM 1225 O GLY A 79 15.390 -3.231 99.231 1.00 0.00 O ATOM 0 H GLY A 79 15.483 -1.258 95.769 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.148 -0.931 98.036 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.482 -0.685 98.522 1.00 0.00 H new ATOM 1229 N HIS A 80 14.471 -3.504 97.244 1.00 0.00 N ATOM 1230 CA HIS A 80 14.332 -4.965 97.438 1.00 0.00 C ATOM 1231 C HIS A 80 15.685 -5.598 97.128 1.00 0.00 C ATOM 1232 O HIS A 80 16.274 -6.265 97.951 1.00 0.00 O ATOM 1233 CB HIS A 80 13.259 -5.507 96.480 1.00 0.00 C ATOM 1234 CG HIS A 80 11.931 -5.560 97.187 1.00 0.00 C ATOM 1235 ND1 HIS A 80 10.990 -6.542 96.922 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.379 -4.765 98.156 1.00 0.00 C ATOM 1237 CE1 HIS A 80 9.930 -6.315 97.718 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.115 -5.241 98.492 1.00 0.00 N ATOM 0 H HIS A 80 14.130 -3.153 96.349 1.00 0.00 H new ATOM 0 HA HIS A 80 14.031 -5.199 98.459 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.188 -4.869 95.599 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.537 -6.502 96.132 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.853 -3.899 98.594 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.039 -6.925 97.730 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.469 -4.854 99.180 1.00 0.00 H new ATOM 1246 N VAL A 81 16.184 -5.360 95.940 1.00 0.00 N ATOM 1247 CA VAL A 81 17.514 -5.911 95.535 1.00 0.00 C ATOM 1248 C VAL A 81 17.754 -7.286 96.168 1.00 0.00 C ATOM 1249 O VAL A 81 18.858 -7.802 96.171 1.00 0.00 O ATOM 1250 CB VAL A 81 18.616 -4.916 95.915 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.727 -3.840 94.826 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.264 -4.229 97.235 1.00 0.00 C ATOM 0 H VAL A 81 15.720 -4.800 95.225 1.00 0.00 H new ATOM 0 HA VAL A 81 17.530 -6.051 94.454 1.00 0.00 H new ATOM 0 HB VAL A 81 19.558 -5.454 96.016 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.510 -3.131 95.094 1.00 0.00 H new ATOM 0 HG12 VAL A 81 18.973 -4.310 93.874 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.777 -3.314 94.736 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.051 -3.523 97.499 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.320 -3.695 97.127 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.170 -4.978 98.021 1.00 0.00 H new ATOM 1262 N SER A 82 16.721 -7.913 96.644 1.00 0.00 N ATOM 1263 CA SER A 82 16.875 -9.277 97.195 1.00 0.00 C ATOM 1264 C SER A 82 16.831 -10.222 96.002 1.00 0.00 C ATOM 1265 O SER A 82 17.379 -11.307 96.010 1.00 0.00 O ATOM 1266 CB SER A 82 15.726 -9.578 98.159 1.00 0.00 C ATOM 1267 OG SER A 82 16.146 -9.283 99.483 1.00 0.00 O ATOM 0 H SER A 82 15.774 -7.536 96.674 1.00 0.00 H new ATOM 0 HA SER A 82 17.807 -9.387 97.749 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.851 -8.982 97.900 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.433 -10.625 98.081 1.00 0.00 H new ATOM 0 HG SER A 82 15.415 -9.471 100.108 1.00 0.00 H new ATOM 1273 N CYS A 83 16.175 -9.786 94.956 1.00 0.00 N ATOM 1274 CA CYS A 83 16.073 -10.609 93.727 1.00 0.00 C ATOM 1275 C CYS A 83 17.320 -10.395 92.869 1.00 0.00 C ATOM 1276 O CYS A 83 17.891 -11.335 92.357 1.00 0.00 O ATOM 1277 CB CYS A 83 14.827 -10.197 92.939 1.00 0.00 C ATOM 1278 SG CYS A 83 15.173 -8.714 91.954 1.00 0.00 S ATOM 0 H CYS A 83 15.703 -8.883 94.907 1.00 0.00 H new ATOM 0 HA CYS A 83 15.996 -11.662 93.997 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.515 -11.012 92.286 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.002 -10.003 93.624 1.00 0.00 H new ATOM 0 HG CYS A 83 14.188 -8.499 91.133 1.00 0.00 H new ATOM 1284 N VAL A 84 17.755 -9.166 92.712 1.00 0.00 N ATOM 1285 CA VAL A 84 18.977 -8.912 91.890 1.00 0.00 C ATOM 1286 C VAL A 84 20.033 -9.935 92.284 1.00 0.00 C ATOM 1287 O VAL A 84 20.575 -10.633 91.459 1.00 0.00 O ATOM 1288 CB VAL A 84 19.523 -7.504 92.148 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.513 -6.460 91.674 1.00 0.00 C ATOM 1290 CG2 VAL A 84 19.790 -7.328 93.638 1.00 0.00 C ATOM 0 H VAL A 84 17.320 -8.336 93.115 1.00 0.00 H new ATOM 0 HA VAL A 84 18.725 -8.995 90.833 1.00 0.00 H new ATOM 0 HB VAL A 84 20.454 -7.371 91.596 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.908 -5.461 91.860 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.334 -6.586 90.606 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.576 -6.587 92.217 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.179 -6.326 93.822 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.862 -7.465 94.193 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.521 -8.067 93.966 1.00 0.00 H new ATOM 1300 N LYS A 85 20.306 -10.044 93.556 1.00 0.00 N ATOM 1301 CA LYS A 85 21.302 -11.041 94.020 1.00 0.00 C ATOM 1302 C LYS A 85 20.854 -12.423 93.518 1.00 0.00 C ATOM 1303 O LYS A 85 21.591 -13.156 92.883 1.00 0.00 O ATOM 1304 CB LYS A 85 21.323 -11.003 95.561 1.00 0.00 C ATOM 1305 CG LYS A 85 22.632 -10.370 96.055 1.00 0.00 C ATOM 1306 CD LYS A 85 22.472 -9.913 97.511 1.00 0.00 C ATOM 1307 CE LYS A 85 23.695 -9.084 97.934 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.242 -9.624 99.210 1.00 0.00 N ATOM 0 H LYS A 85 19.879 -9.482 94.293 1.00 0.00 H new ATOM 0 HA LYS A 85 22.301 -10.828 93.641 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.471 -10.431 95.930 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.225 -12.013 95.959 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.447 -11.090 95.978 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.896 -9.521 95.425 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.564 -9.319 97.618 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.365 -10.779 98.164 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.457 -9.117 97.156 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.414 -8.039 98.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.070 -9.064 99.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.514 -9.570 99.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.525 -10.615 99.074 1.00 0.00 H new ATOM 1322 N LEU A 86 19.628 -12.756 93.799 1.00 0.00 N ATOM 1323 CA LEU A 86 19.041 -14.061 93.369 1.00 0.00 C ATOM 1324 C LEU A 86 18.989 -14.146 91.840 1.00 0.00 C ATOM 1325 O LEU A 86 18.774 -15.199 91.274 1.00 0.00 O ATOM 1326 CB LEU A 86 17.601 -14.102 93.914 1.00 0.00 C ATOM 1327 CG LEU A 86 17.197 -15.515 94.335 1.00 0.00 C ATOM 1328 CD1 LEU A 86 15.807 -15.457 94.976 1.00 0.00 C ATOM 1329 CD2 LEU A 86 17.150 -16.434 93.111 1.00 0.00 C ATOM 0 H LEU A 86 18.986 -12.162 94.325 1.00 0.00 H new ATOM 0 HA LEU A 86 19.644 -14.889 93.742 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.515 -13.429 94.767 1.00 0.00 H new ATOM 0 HB3 LEU A 86 16.912 -13.738 93.151 1.00 0.00 H new ATOM 0 HG LEU A 86 17.926 -15.907 95.045 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.505 -16.459 95.282 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.836 -14.805 95.849 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.090 -15.066 94.254 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.861 -17.438 93.421 1.00 0.00 H new ATOM 0 HD22 LEU A 86 16.421 -16.051 92.396 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.134 -16.467 92.643 1.00 0.00 H new ATOM 1341 N LEU A 87 19.118 -13.037 91.169 1.00 0.00 N ATOM 1342 CA LEU A 87 18.996 -13.050 89.687 1.00 0.00 C ATOM 1343 C LEU A 87 20.273 -13.518 88.989 1.00 0.00 C ATOM 1344 O LEU A 87 20.328 -14.612 88.464 1.00 0.00 O ATOM 1345 CB LEU A 87 18.648 -11.634 89.212 1.00 0.00 C ATOM 1346 CG LEU A 87 17.199 -11.586 88.709 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.758 -10.124 88.550 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.092 -12.313 87.362 1.00 0.00 C ATOM 0 H LEU A 87 19.302 -12.123 91.583 1.00 0.00 H new ATOM 0 HA LEU A 87 18.212 -13.761 89.426 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.781 -10.925 90.029 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.328 -11.332 88.415 1.00 0.00 H new ATOM 0 HG LEU A 87 16.550 -12.080 89.432 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.729 -10.091 88.193 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.824 -9.617 89.513 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.408 -9.624 87.831 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.061 -12.276 87.009 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.742 -11.828 86.634 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.396 -13.352 87.484 1.00 0.00 H new ATOM 1360 N LEU A 88 21.285 -12.697 88.920 1.00 0.00 N ATOM 1361 CA LEU A 88 22.498 -13.135 88.182 1.00 0.00 C ATOM 1362 C LEU A 88 22.906 -14.527 88.643 1.00 0.00 C ATOM 1363 O LEU A 88 23.672 -15.208 87.990 1.00 0.00 O ATOM 1364 CB LEU A 88 23.655 -12.129 88.327 1.00 0.00 C ATOM 1365 CG LEU A 88 24.292 -12.159 89.725 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.203 -12.074 90.791 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.124 -13.441 89.915 1.00 0.00 C ATOM 0 H LEU A 88 21.324 -11.765 89.332 1.00 0.00 H new ATOM 0 HA LEU A 88 22.257 -13.175 87.120 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.418 -12.348 87.579 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.286 -11.124 88.121 1.00 0.00 H new ATOM 0 HG LEU A 88 24.958 -11.302 89.825 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.660 -12.096 91.780 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.646 -11.145 90.669 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.524 -12.920 90.686 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.567 -13.443 90.911 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.480 -14.313 89.802 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.915 -13.475 89.166 1.00 0.00 H new ATOM 1379 N SER A 89 22.371 -14.976 89.741 1.00 0.00 N ATOM 1380 CA SER A 89 22.704 -16.343 90.204 1.00 0.00 C ATOM 1381 C SER A 89 22.289 -17.316 89.102 1.00 0.00 C ATOM 1382 O SER A 89 22.646 -18.477 89.104 1.00 0.00 O ATOM 1383 CB SER A 89 21.932 -16.662 91.488 1.00 0.00 C ATOM 1384 OG SER A 89 20.701 -17.288 91.151 1.00 0.00 O ATOM 0 H SER A 89 21.722 -14.457 90.333 1.00 0.00 H new ATOM 0 HA SER A 89 23.771 -16.426 90.413 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.523 -17.317 92.129 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.746 -15.748 92.051 1.00 0.00 H new ATOM 0 HG SER A 89 19.980 -16.625 91.173 1.00 0.00 H new ATOM 1390 N LYS A 90 21.525 -16.832 88.155 1.00 0.00 N ATOM 1391 CA LYS A 90 21.057 -17.687 87.033 1.00 0.00 C ATOM 1392 C LYS A 90 21.670 -17.169 85.725 1.00 0.00 C ATOM 1393 O LYS A 90 21.798 -17.892 84.756 1.00 0.00 O ATOM 1394 CB LYS A 90 19.523 -17.612 86.984 1.00 0.00 C ATOM 1395 CG LYS A 90 18.993 -17.952 85.583 1.00 0.00 C ATOM 1396 CD LYS A 90 17.630 -18.654 85.693 1.00 0.00 C ATOM 1397 CE LYS A 90 16.724 -17.920 86.694 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.814 -18.583 88.025 1.00 0.00 N ATOM 0 H LYS A 90 21.203 -15.865 88.116 1.00 0.00 H new ATOM 0 HA LYS A 90 21.363 -18.724 87.172 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.099 -18.303 87.713 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.196 -16.611 87.266 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.896 -17.042 84.991 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.702 -18.596 85.063 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.150 -18.685 84.715 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.771 -19.687 86.011 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.025 -16.876 86.775 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.693 -17.928 86.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.858 -18.816 88.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.374 -19.456 87.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.273 -17.941 88.702 1.00 0.00 H new ATOM 1412 N GLY A 91 22.064 -15.926 85.696 1.00 0.00 N ATOM 1413 CA GLY A 91 22.681 -15.365 84.460 1.00 0.00 C ATOM 1414 C GLY A 91 22.370 -13.867 84.352 1.00 0.00 C ATOM 1415 O GLY A 91 23.029 -13.039 84.951 1.00 0.00 O ATOM 0 H GLY A 91 21.985 -15.273 86.476 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.760 -15.520 84.479 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.299 -15.888 83.583 1.00 0.00 H new ATOM 1419 N ALA A 92 21.366 -13.515 83.592 1.00 0.00 N ATOM 1420 CA ALA A 92 20.997 -12.073 83.436 1.00 0.00 C ATOM 1421 C ALA A 92 22.243 -11.218 83.221 1.00 0.00 C ATOM 1422 O ALA A 92 22.179 -10.004 83.289 1.00 0.00 O ATOM 1423 CB ALA A 92 20.279 -11.590 84.703 1.00 0.00 C ATOM 0 H ALA A 92 20.781 -14.167 83.069 1.00 0.00 H new ATOM 0 HA ALA A 92 20.343 -11.976 82.569 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.010 -10.540 84.591 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.377 -12.181 84.858 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.940 -11.705 85.562 1.00 0.00 H new ATOM 1429 N ASP A 93 23.366 -11.817 82.949 1.00 0.00 N ATOM 1430 CA ASP A 93 24.589 -11.008 82.725 1.00 0.00 C ATOM 1431 C ASP A 93 24.583 -9.809 83.682 1.00 0.00 C ATOM 1432 O ASP A 93 24.704 -9.962 84.881 1.00 0.00 O ATOM 1433 CB ASP A 93 24.569 -10.521 81.278 1.00 0.00 C ATOM 1434 CG ASP A 93 25.010 -11.656 80.350 1.00 0.00 C ATOM 1435 OD1 ASP A 93 24.155 -12.420 79.935 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.195 -11.741 80.072 1.00 0.00 O ATOM 0 H ASP A 93 23.488 -12.827 82.873 1.00 0.00 H new ATOM 0 HA ASP A 93 25.486 -11.600 82.909 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.567 -10.186 81.010 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.233 -9.664 81.162 1.00 0.00 H new ATOM 1441 N LYS A 94 24.439 -8.622 83.165 1.00 0.00 N ATOM 1442 CA LYS A 94 24.415 -7.427 84.048 1.00 0.00 C ATOM 1443 C LYS A 94 23.910 -6.222 83.251 1.00 0.00 C ATOM 1444 O LYS A 94 22.919 -5.600 83.583 1.00 0.00 O ATOM 1445 CB LYS A 94 25.833 -7.153 84.544 1.00 0.00 C ATOM 1446 CG LYS A 94 25.788 -6.310 85.817 1.00 0.00 C ATOM 1447 CD LYS A 94 25.345 -4.872 85.494 1.00 0.00 C ATOM 1448 CE LYS A 94 23.869 -4.669 85.869 1.00 0.00 C ATOM 1449 NZ LYS A 94 23.783 -4.163 87.268 1.00 0.00 N ATOM 0 H LYS A 94 24.337 -8.429 82.169 1.00 0.00 H new ATOM 0 HA LYS A 94 23.754 -7.602 84.897 1.00 0.00 H new ATOM 0 HB2 LYS A 94 26.347 -8.094 84.739 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.402 -6.633 83.774 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.098 -6.757 86.533 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.771 -6.297 86.287 1.00 0.00 H new ATOM 0 HD2 LYS A 94 25.966 -4.162 86.040 1.00 0.00 H new ATOM 0 HD3 LYS A 94 25.488 -4.670 84.432 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.402 -3.961 85.184 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.325 -5.609 85.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.252 -4.841 87.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.741 -4.050 87.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.296 -3.244 87.276 1.00 0.00 H new ATOM 1463 N THR A 95 24.610 -5.896 82.202 1.00 0.00 N ATOM 1464 CA THR A 95 24.235 -4.731 81.350 1.00 0.00 C ATOM 1465 C THR A 95 23.946 -5.249 79.945 1.00 0.00 C ATOM 1466 O THR A 95 24.416 -4.721 78.953 1.00 0.00 O ATOM 1467 CB THR A 95 25.426 -3.753 81.314 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.376 -4.155 82.289 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.968 -2.323 81.618 1.00 0.00 C ATOM 0 H THR A 95 25.443 -6.397 81.892 1.00 0.00 H new ATOM 0 HA THR A 95 23.357 -4.219 81.743 1.00 0.00 H new ATOM 0 HB THR A 95 25.867 -3.770 80.317 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.140 -3.541 82.274 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.826 -1.652 81.587 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.235 -2.010 80.874 1.00 0.00 H new ATOM 0 HG23 THR A 95 24.516 -2.289 82.609 1.00 0.00 H new ATOM 1477 N VAL A 96 23.184 -6.295 79.860 1.00 0.00 N ATOM 1478 CA VAL A 96 22.870 -6.876 78.541 1.00 0.00 C ATOM 1479 C VAL A 96 21.804 -6.018 77.838 1.00 0.00 C ATOM 1480 O VAL A 96 21.409 -6.311 76.729 1.00 0.00 O ATOM 1481 CB VAL A 96 22.384 -8.331 78.752 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.147 -8.646 77.898 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.507 -9.309 78.378 1.00 0.00 C ATOM 0 H VAL A 96 22.763 -6.774 80.656 1.00 0.00 H new ATOM 0 HA VAL A 96 23.754 -6.889 77.903 1.00 0.00 H new ATOM 0 HB VAL A 96 22.115 -8.441 79.803 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.836 -9.676 78.074 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.336 -7.971 78.170 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.390 -8.515 76.844 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.163 -10.332 78.527 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.780 -9.167 77.332 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.376 -9.123 79.009 1.00 0.00 H new ATOM 1493 N LYS A 97 21.335 -4.950 78.450 1.00 0.00 N ATOM 1494 CA LYS A 97 20.308 -4.117 77.748 1.00 0.00 C ATOM 1495 C LYS A 97 20.181 -2.703 78.345 1.00 0.00 C ATOM 1496 O LYS A 97 19.573 -1.842 77.742 1.00 0.00 O ATOM 1497 CB LYS A 97 18.945 -4.816 77.815 1.00 0.00 C ATOM 1498 CG LYS A 97 18.118 -4.440 76.577 1.00 0.00 C ATOM 1499 CD LYS A 97 18.480 -5.369 75.414 1.00 0.00 C ATOM 1500 CE LYS A 97 17.992 -4.760 74.098 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.562 -3.391 73.933 1.00 0.00 N ATOM 0 H LYS A 97 21.611 -4.629 79.378 1.00 0.00 H new ATOM 0 HA LYS A 97 20.636 -4.009 76.714 1.00 0.00 H new ATOM 0 HB2 LYS A 97 19.080 -5.897 77.861 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.417 -4.521 78.722 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.054 -4.519 76.801 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.310 -3.403 76.300 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.559 -5.520 75.378 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.026 -6.349 75.563 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.291 -5.392 73.261 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.903 -4.714 74.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.663 -3.177 72.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.927 -2.695 74.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.495 -3.346 74.391 1.00 0.00 H new ATOM 1515 N GLY A 98 20.724 -2.428 79.502 1.00 0.00 N ATOM 1516 CA GLY A 98 20.576 -1.046 80.050 1.00 0.00 C ATOM 1517 C GLY A 98 21.504 -0.102 79.285 1.00 0.00 C ATOM 1518 O GLY A 98 22.361 -0.552 78.550 1.00 0.00 O ATOM 0 H GLY A 98 21.252 -3.082 80.080 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.542 -0.714 79.957 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.821 -1.035 81.112 1.00 0.00 H new ATOM 1522 N PRO A 99 21.323 1.184 79.489 1.00 0.00 N ATOM 1523 CA PRO A 99 22.158 2.202 78.833 1.00 0.00 C ATOM 1524 C PRO A 99 23.612 1.738 78.812 1.00 0.00 C ATOM 1525 O PRO A 99 24.119 1.287 77.806 1.00 0.00 O ATOM 1526 CB PRO A 99 21.955 3.454 79.709 1.00 0.00 C ATOM 1527 CG PRO A 99 20.622 3.241 80.468 1.00 0.00 C ATOM 1528 CD PRO A 99 20.293 1.734 80.391 1.00 0.00 C ATOM 0 HA PRO A 99 21.895 2.393 77.793 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.784 3.580 80.406 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.914 4.355 79.097 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.713 3.563 81.505 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.824 3.833 80.020 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.335 1.267 81.375 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.290 1.565 80.000 1.00 0.00 H new ATOM 1536 N ASP A 100 24.275 1.830 79.921 1.00 0.00 N ATOM 1537 CA ASP A 100 25.685 1.385 79.989 1.00 0.00 C ATOM 1538 C ASP A 100 26.093 1.350 81.455 1.00 0.00 C ATOM 1539 O ASP A 100 25.630 0.529 82.221 1.00 0.00 O ATOM 1540 CB ASP A 100 26.572 2.361 79.214 1.00 0.00 C ATOM 1541 CG ASP A 100 28.005 1.830 79.174 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.217 0.721 79.639 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.866 2.537 78.677 1.00 0.00 O ATOM 0 H ASP A 100 23.896 2.199 80.793 1.00 0.00 H new ATOM 0 HA ASP A 100 25.798 0.396 79.545 1.00 0.00 H new ATOM 0 HB2 ASP A 100 26.192 2.487 78.200 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.550 3.343 79.687 1.00 0.00 H new ATOM 1548 N GLY A 101 26.944 2.238 81.862 1.00 0.00 N ATOM 1549 CA GLY A 101 27.359 2.242 83.281 1.00 0.00 C ATOM 1550 C GLY A 101 26.137 2.467 84.177 1.00 0.00 C ATOM 1551 O GLY A 101 26.244 2.476 85.397 1.00 0.00 O ATOM 0 H GLY A 101 27.368 2.958 81.277 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.837 1.295 83.533 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.096 3.026 83.452 1.00 0.00 H new ATOM 1555 N LEU A 102 24.957 2.630 83.612 1.00 0.00 N ATOM 1556 CA LEU A 102 23.788 2.845 84.504 1.00 0.00 C ATOM 1557 C LEU A 102 23.818 1.767 85.541 1.00 0.00 C ATOM 1558 O LEU A 102 24.152 1.995 86.689 1.00 0.00 O ATOM 1559 CB LEU A 102 22.454 2.780 83.759 1.00 0.00 C ATOM 1560 CG LEU A 102 21.331 3.300 84.683 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.979 3.265 83.962 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.233 2.458 85.960 1.00 0.00 C ATOM 0 H LEU A 102 24.766 2.623 82.610 1.00 0.00 H new ATOM 0 HA LEU A 102 23.860 3.843 84.937 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.501 3.381 82.851 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.244 1.755 83.453 1.00 0.00 H new ATOM 0 HG LEU A 102 21.579 4.328 84.949 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.201 3.635 84.630 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.024 3.894 83.073 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.749 2.240 83.670 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.434 2.847 86.592 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.016 1.423 85.697 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.178 2.505 86.500 1.00 0.00 H new ATOM 1574 N THR A 103 23.481 0.586 85.150 1.00 0.00 N ATOM 1575 CA THR A 103 23.486 -0.520 86.119 1.00 0.00 C ATOM 1576 C THR A 103 23.297 0.055 87.523 1.00 0.00 C ATOM 1577 O THR A 103 22.318 0.715 87.823 1.00 0.00 O ATOM 1578 CB THR A 103 24.842 -1.232 86.053 1.00 0.00 C ATOM 1579 OG1 THR A 103 25.698 -0.704 87.050 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.491 -1.009 84.691 1.00 0.00 C ATOM 0 H THR A 103 23.202 0.338 84.201 1.00 0.00 H new ATOM 0 HA THR A 103 22.684 -1.222 85.890 1.00 0.00 H new ATOM 0 HB THR A 103 24.684 -2.299 86.211 1.00 0.00 H new ATOM 0 HG1 THR A 103 26.628 -0.764 86.748 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.453 -1.520 84.658 1.00 0.00 H new ATOM 0 HG22 THR A 103 24.843 -1.406 83.910 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.642 0.058 84.530 1.00 0.00 H new ATOM 1588 N ALA A 104 24.238 -0.182 88.374 1.00 0.00 N ATOM 1589 CA ALA A 104 24.151 0.325 89.759 1.00 0.00 C ATOM 1590 C ALA A 104 24.826 1.705 89.893 1.00 0.00 C ATOM 1591 O ALA A 104 24.582 2.422 90.837 1.00 0.00 O ATOM 1592 CB ALA A 104 24.856 -0.674 90.663 1.00 0.00 C ATOM 0 H ALA A 104 25.082 -0.716 88.166 1.00 0.00 H new ATOM 0 HA ALA A 104 23.104 0.440 90.038 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.809 -0.327 91.695 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.367 -1.645 90.584 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.899 -0.767 90.359 1.00 0.00 H new ATOM 1598 N LEU A 105 25.706 2.059 88.985 1.00 0.00 N ATOM 1599 CA LEU A 105 26.432 3.362 89.095 1.00 0.00 C ATOM 1600 C LEU A 105 25.495 4.574 89.021 1.00 0.00 C ATOM 1601 O LEU A 105 25.335 5.305 89.980 1.00 0.00 O ATOM 1602 CB LEU A 105 27.437 3.484 87.956 1.00 0.00 C ATOM 1603 CG LEU A 105 28.170 2.164 87.726 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.130 2.332 86.549 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.962 1.784 88.977 1.00 0.00 C ATOM 0 H LEU A 105 25.952 1.498 88.170 1.00 0.00 H new ATOM 0 HA LEU A 105 26.921 3.363 90.069 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.922 3.781 87.043 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.158 4.269 88.185 1.00 0.00 H new ATOM 0 HG LEU A 105 27.447 1.377 87.510 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.660 1.395 86.375 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.567 2.602 85.656 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.849 3.119 86.776 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.482 0.842 88.806 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.689 2.565 89.198 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.280 1.674 89.820 1.00 0.00 H new ATOM 1617 N GLU A 106 24.917 4.833 87.879 1.00 0.00 N ATOM 1618 CA GLU A 106 24.054 6.039 87.747 1.00 0.00 C ATOM 1619 C GLU A 106 22.704 5.769 88.414 1.00 0.00 C ATOM 1620 O GLU A 106 21.855 6.639 88.500 1.00 0.00 O ATOM 1621 CB GLU A 106 23.889 6.368 86.238 1.00 0.00 C ATOM 1622 CG GLU A 106 22.416 6.577 85.851 1.00 0.00 C ATOM 1623 CD GLU A 106 21.994 8.006 86.192 1.00 0.00 C ATOM 1624 OE1 GLU A 106 22.529 8.551 87.143 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.145 8.532 85.492 1.00 0.00 O ATOM 0 H GLU A 106 25.005 4.264 87.037 1.00 0.00 H new ATOM 0 HA GLU A 106 24.507 6.898 88.242 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.458 7.267 85.999 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.309 5.557 85.642 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.280 6.391 84.786 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.785 5.864 86.382 1.00 0.00 H new ATOM 1632 N ALA A 107 22.496 4.571 88.882 1.00 0.00 N ATOM 1633 CA ALA A 107 21.195 4.251 89.529 1.00 0.00 C ATOM 1634 C ALA A 107 21.085 4.833 90.948 1.00 0.00 C ATOM 1635 O ALA A 107 20.052 5.363 91.314 1.00 0.00 O ATOM 1636 CB ALA A 107 21.036 2.736 89.615 1.00 0.00 C ATOM 0 H ALA A 107 23.167 3.803 88.845 1.00 0.00 H new ATOM 0 HA ALA A 107 20.411 4.699 88.918 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.084 2.496 90.089 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.060 2.310 88.612 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.851 2.318 90.206 1.00 0.00 H new ATOM 1642 N THR A 108 22.089 4.700 91.781 1.00 0.00 N ATOM 1643 CA THR A 108 21.928 5.210 93.173 1.00 0.00 C ATOM 1644 C THR A 108 23.258 5.480 93.875 1.00 0.00 C ATOM 1645 O THR A 108 24.295 5.683 93.274 1.00 0.00 O ATOM 1646 CB THR A 108 21.219 4.124 93.965 1.00 0.00 C ATOM 1647 OG1 THR A 108 20.944 4.592 95.277 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.132 2.891 94.028 1.00 0.00 C ATOM 0 H THR A 108 22.989 4.272 91.563 1.00 0.00 H new ATOM 0 HA THR A 108 21.381 6.151 93.123 1.00 0.00 H new ATOM 0 HB THR A 108 20.277 3.862 93.483 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.628 5.519 95.234 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.638 2.101 94.594 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.338 2.539 93.017 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.069 3.157 94.518 1.00 0.00 H new ATOM 1656 N ASP A 109 23.191 5.440 95.185 1.00 0.00 N ATOM 1657 CA ASP A 109 24.380 5.638 96.048 1.00 0.00 C ATOM 1658 C ASP A 109 24.285 4.660 97.224 1.00 0.00 C ATOM 1659 O ASP A 109 25.209 4.519 98.003 1.00 0.00 O ATOM 1660 CB ASP A 109 24.431 7.071 96.580 1.00 0.00 C ATOM 1661 CG ASP A 109 25.747 7.280 97.334 1.00 0.00 C ATOM 1662 OD1 ASP A 109 26.779 7.316 96.685 1.00 0.00 O ATOM 1663 OD2 ASP A 109 25.701 7.395 98.548 1.00 0.00 O ATOM 0 H ASP A 109 22.327 5.272 95.700 1.00 0.00 H new ATOM 0 HA ASP A 109 25.285 5.458 95.467 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.353 7.781 95.756 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.585 7.257 97.242 1.00 0.00 H new ATOM 1668 N ASN A 110 23.185 3.950 97.348 1.00 0.00 N ATOM 1669 CA ASN A 110 23.084 2.964 98.460 1.00 0.00 C ATOM 1670 C ASN A 110 23.991 1.795 98.072 1.00 0.00 C ATOM 1671 O ASN A 110 24.220 1.552 96.908 1.00 0.00 O ATOM 1672 CB ASN A 110 21.630 2.505 98.667 1.00 0.00 C ATOM 1673 CG ASN A 110 20.982 2.157 97.335 1.00 0.00 C ATOM 1674 OD1 ASN A 110 21.699 1.592 96.423 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 19.809 2.402 97.129 1.00 0.00 N flip ATOM 0 H ASN A 110 22.371 4.012 96.737 1.00 0.00 H new ATOM 0 HA ASN A 110 23.395 3.403 99.408 1.00 0.00 H new ATOM 0 HB2 ASN A 110 21.608 1.637 99.326 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.061 3.294 99.159 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.246 2.849 97.853 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.387 2.161 96.232 1.00 0.00 H new ATOM 1682 N GLN A 111 24.581 1.126 99.018 1.00 0.00 N ATOM 1683 CA GLN A 111 25.553 0.047 98.667 1.00 0.00 C ATOM 1684 C GLN A 111 24.905 -1.339 98.465 1.00 0.00 C ATOM 1685 O GLN A 111 25.596 -2.323 98.304 1.00 0.00 O ATOM 1686 CB GLN A 111 26.607 0.013 99.772 1.00 0.00 C ATOM 1687 CG GLN A 111 27.490 -1.224 99.642 1.00 0.00 C ATOM 1688 CD GLN A 111 28.787 -0.991 100.416 1.00 0.00 C ATOM 1689 OE1 GLN A 111 28.864 -1.281 101.594 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.811 -0.468 99.803 1.00 0.00 N ATOM 0 H GLN A 111 24.436 1.275 100.017 1.00 0.00 H new ATOM 0 HA GLN A 111 25.998 0.279 97.699 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.222 0.911 99.721 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.119 0.016 100.746 1.00 0.00 H new ATOM 0 HG2 GLN A 111 26.971 -2.100 100.031 1.00 0.00 H new ATOM 0 HG3 GLN A 111 27.708 -1.423 98.593 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.744 -0.225 98.815 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.679 -0.301 100.312 1.00 0.00 H new ATOM 1699 N ALA A 112 23.606 -1.446 98.418 1.00 0.00 N ATOM 1700 CA ALA A 112 23.000 -2.790 98.173 1.00 0.00 C ATOM 1701 C ALA A 112 22.910 -2.984 96.661 1.00 0.00 C ATOM 1702 O ALA A 112 23.166 -4.044 96.108 1.00 0.00 O ATOM 1703 CB ALA A 112 21.602 -2.857 98.792 1.00 0.00 C ATOM 0 H ALA A 112 22.946 -0.678 98.536 1.00 0.00 H new ATOM 0 HA ALA A 112 23.609 -3.572 98.626 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.169 -3.840 98.608 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.671 -2.686 99.866 1.00 0.00 H new ATOM 0 HB3 ALA A 112 20.968 -2.092 98.343 1.00 0.00 H new ATOM 1709 N ILE A 113 22.599 -1.930 95.996 1.00 0.00 N ATOM 1710 CA ILE A 113 22.519 -1.950 94.519 1.00 0.00 C ATOM 1711 C ILE A 113 23.933 -2.131 94.004 1.00 0.00 C ATOM 1712 O ILE A 113 24.230 -2.972 93.174 1.00 0.00 O ATOM 1713 CB ILE A 113 22.002 -0.580 94.079 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.473 -0.548 94.083 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.516 -0.230 92.683 1.00 0.00 C ATOM 1716 CD1 ILE A 113 19.941 -0.415 95.516 1.00 0.00 C ATOM 0 H ILE A 113 22.390 -1.026 96.420 1.00 0.00 H new ATOM 0 HA ILE A 113 21.869 -2.742 94.147 1.00 0.00 H new ATOM 0 HB ILE A 113 22.373 0.158 94.790 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.119 0.287 93.479 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.083 -1.458 93.627 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.136 0.749 92.390 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.606 -0.208 92.691 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.173 -0.980 91.970 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.851 -0.394 95.499 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.278 -1.265 96.110 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.315 0.508 95.959 1.00 0.00 H new ATOM 1728 N LYS A 114 24.806 -1.337 94.521 1.00 0.00 N ATOM 1729 CA LYS A 114 26.209 -1.423 94.114 1.00 0.00 C ATOM 1730 C LYS A 114 26.670 -2.861 94.329 1.00 0.00 C ATOM 1731 O LYS A 114 27.713 -3.272 93.860 1.00 0.00 O ATOM 1732 CB LYS A 114 27.031 -0.437 94.947 1.00 0.00 C ATOM 1733 CG LYS A 114 26.357 0.949 94.922 1.00 0.00 C ATOM 1734 CD LYS A 114 26.563 1.615 93.557 1.00 0.00 C ATOM 1735 CE LYS A 114 26.393 3.127 93.691 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.533 3.679 94.472 1.00 0.00 N ATOM 0 H LYS A 114 24.600 -0.622 95.219 1.00 0.00 H new ATOM 0 HA LYS A 114 26.339 -1.162 93.064 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.114 -0.794 95.974 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.044 -0.367 94.551 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.291 0.847 95.127 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.774 1.578 95.708 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.557 1.384 93.175 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.845 1.221 92.837 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.354 3.590 92.705 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.451 3.357 94.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.715 4.659 94.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.300 3.662 95.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.382 3.103 94.302 1.00 0.00 H new ATOM 1750 N ALA A 115 25.874 -3.637 95.021 1.00 0.00 N ATOM 1751 CA ALA A 115 26.238 -5.055 95.244 1.00 0.00 C ATOM 1752 C ALA A 115 26.264 -5.746 93.893 1.00 0.00 C ATOM 1753 O ALA A 115 27.151 -6.525 93.605 1.00 0.00 O ATOM 1754 CB ALA A 115 25.210 -5.745 96.148 1.00 0.00 C ATOM 0 H ALA A 115 24.990 -3.343 95.438 1.00 0.00 H new ATOM 0 HA ALA A 115 27.211 -5.111 95.732 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.498 -6.786 96.298 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.173 -5.236 97.111 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.227 -5.704 95.678 1.00 0.00 H new ATOM 1760 N LEU A 116 25.318 -5.450 93.040 1.00 0.00 N ATOM 1761 CA LEU A 116 25.350 -6.096 91.699 1.00 0.00 C ATOM 1762 C LEU A 116 26.560 -5.540 90.945 1.00 0.00 C ATOM 1763 O LEU A 116 26.949 -6.039 89.908 1.00 0.00 O ATOM 1764 CB LEU A 116 24.052 -5.796 90.921 1.00 0.00 C ATOM 1765 CG LEU A 116 23.174 -7.059 90.788 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.078 -6.789 89.749 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.009 -8.266 90.315 1.00 0.00 C ATOM 0 H LEU A 116 24.545 -4.806 93.208 1.00 0.00 H new ATOM 0 HA LEU A 116 25.429 -7.178 91.804 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.492 -5.013 91.432 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.299 -5.416 89.930 1.00 0.00 H new ATOM 0 HG LEU A 116 22.744 -7.288 91.763 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.450 -7.674 89.645 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.468 -5.947 90.075 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.537 -6.555 88.789 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.366 -9.142 90.230 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.451 -8.044 89.344 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.801 -8.466 91.037 1.00 0.00 H new ATOM 1779 N LEU A 117 27.179 -4.519 91.482 1.00 0.00 N ATOM 1780 CA LEU A 117 28.389 -3.953 90.815 1.00 0.00 C ATOM 1781 C LEU A 117 29.573 -4.817 91.231 1.00 0.00 C ATOM 1782 O LEU A 117 30.708 -4.574 90.877 1.00 0.00 O ATOM 1783 CB LEU A 117 28.602 -2.498 91.262 1.00 0.00 C ATOM 1784 CG LEU A 117 29.126 -1.632 90.103 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.442 -2.206 89.571 1.00 0.00 C ATOM 1786 CD2 LEU A 117 28.090 -1.567 88.966 1.00 0.00 C ATOM 0 H LEU A 117 26.901 -4.056 92.347 1.00 0.00 H new ATOM 0 HA LEU A 117 28.276 -3.954 89.731 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.662 -2.087 91.631 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.310 -2.469 92.090 1.00 0.00 H new ATOM 0 HG LEU A 117 29.299 -0.623 90.478 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.804 -1.586 88.751 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.183 -2.219 90.371 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.277 -3.222 89.212 1.00 0.00 H new ATOM 0 HD21 LEU A 117 28.478 -0.950 88.155 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.894 -2.573 88.595 1.00 0.00 H new ATOM 0 HD23 LEU A 117 27.164 -1.132 89.342 1.00 0.00 H new ATOM 1798 N GLN A 118 29.294 -5.839 91.985 1.00 0.00 N ATOM 1799 CA GLN A 118 30.366 -6.751 92.445 1.00 0.00 C ATOM 1800 C GLN A 118 30.911 -7.547 91.256 1.00 0.00 C ATOM 1801 O GLN A 118 31.862 -8.286 91.453 1.00 0.00 O ATOM 1802 CB GLN A 118 29.783 -7.724 93.468 1.00 0.00 C ATOM 1803 CG GLN A 118 28.769 -8.646 92.778 1.00 0.00 C ATOM 1804 CD GLN A 118 29.496 -9.844 92.162 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.606 -9.928 90.865 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 29.968 -10.712 92.869 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 30.367 -7.409 90.173 1.00 0.00 O ATOM 0 H GLN A 118 28.356 -6.082 92.305 1.00 0.00 H new ATOM 0 HA GLN A 118 31.172 -6.170 92.894 1.00 0.00 H new ATOM 0 HB2 GLN A 118 30.580 -8.315 93.919 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.299 -7.173 94.275 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.027 -8.990 93.498 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.232 -8.097 92.004 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.882 -10.646 93.883 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.450 -11.506 92.448 1.00 0.00 H new