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 94 LYS NZ :NH3+ -148:sc= 0.0234 (180deg=-1.25!) USER MOD Set 1.2: A 103 THR OG1 : rot -138:sc= -5.46! USER MOD Set 2.1: A 40 HIS : no HD1:sc= -5.25! C(o=-4.1!,f=-4.5!) USER MOD Set 2.2: A 74 SER OG : rot -110:sc= 1.19 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 150:sc= -2.26 (180deg=-5.46!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.867 K(o=0.87,f=-0.42) USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= 0.371 (180deg=-0.144) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.04 F(o=-5.9!,f=-1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.145) USER MOD Single : A 41 TYR OH : rot 180:sc= -2.13 USER MOD Single : A 45 CYS SG : rot -18:sc= -1.6! USER MOD Single : A 47 GLN : amide:sc= -0.779 K(o=-0.78,f=-2.8!) USER MOD Single : A 57 LYS NZ :NH3+ -147:sc= -0.423 (180deg=-1.47!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.561 F(o=-10!,f=-0.56) USER MOD Single : A 66 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.357) USER MOD Single : A 67 HIS :FLIP no HD1:sc= 0.508 F(o=-3.1!,f=0.51) USER MOD Single : A 68 HIS : no HE2:sc= -4.31! C(o=-4.3!,f=-6.6!) USER MOD Single : A 70 THR OG1 : rot -174:sc= -10.1! USER MOD Single : A 77 TYR OH : rot -140:sc= -0.234 USER MOD Single : A 80 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-2.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -1.46 USER MOD Single : A 85 LYS NZ :NH3+ -162:sc= -0.138 (180deg=-0.821) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -133:sc= -2.96 (180deg=-7.82!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= -0.136 (180deg=-1.02) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.417! USER MOD Single : A 110 ASN :FLIP amide:sc= -16.8! C(o=-22!,f=-17!) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 114 LYS NZ :NH3+ 143:sc= -4.4! (180deg=-8.32!) USER MOD Single : A 118 GLN : amide:sc= -1.13! X(o=-1.1!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.444 -7.659 86.931 1.00 0.00 N ATOM 44 CA LYS A 4 -6.699 -7.266 88.161 1.00 0.00 C ATOM 45 C LYS A 4 -6.224 -8.509 88.924 1.00 0.00 C ATOM 46 O LYS A 4 -5.061 -8.643 89.241 1.00 0.00 O ATOM 47 CB LYS A 4 -7.629 -6.446 89.055 1.00 0.00 C ATOM 48 CG LYS A 4 -8.276 -5.328 88.232 1.00 0.00 C ATOM 49 CD LYS A 4 -8.879 -4.282 89.172 1.00 0.00 C ATOM 50 CE LYS A 4 -9.677 -3.264 88.356 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.513 -2.440 89.273 1.00 0.00 N ATOM 0 HA LYS A 4 -5.825 -6.678 87.880 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.398 -7.088 89.483 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.069 -6.021 89.888 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.533 -4.864 87.583 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.051 -5.740 87.585 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.526 -4.765 89.904 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.088 -3.779 89.729 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.000 -2.624 87.790 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.310 -3.778 87.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.056 -1.747 88.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.168 -3.057 89.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.899 -1.940 89.947 1.00 0.00 H new ATOM 65 N GLU A 5 -7.118 -9.404 89.240 1.00 0.00 N ATOM 66 CA GLU A 5 -6.728 -10.623 90.009 1.00 0.00 C ATOM 67 C GLU A 5 -5.436 -11.244 89.448 1.00 0.00 C ATOM 68 O GLU A 5 -4.681 -11.870 90.163 1.00 0.00 O ATOM 69 CB GLU A 5 -7.869 -11.649 89.940 1.00 0.00 C ATOM 70 CG GLU A 5 -7.883 -12.488 91.220 1.00 0.00 C ATOM 71 CD GLU A 5 -8.888 -13.632 91.074 1.00 0.00 C ATOM 72 OE1 GLU A 5 -10.075 -13.368 91.172 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.454 -14.754 90.870 1.00 0.00 O ATOM 0 H GLU A 5 -8.107 -9.345 88.998 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.543 -10.337 91.045 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.824 -11.138 89.818 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.739 -12.295 89.071 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.888 -12.888 91.416 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.149 -11.864 92.073 1.00 0.00 H new ATOM 80 N PHE A 6 -5.179 -11.093 88.180 1.00 0.00 N ATOM 81 CA PHE A 6 -3.943 -11.699 87.590 1.00 0.00 C ATOM 82 C PHE A 6 -2.692 -10.884 87.964 1.00 0.00 C ATOM 83 O PHE A 6 -1.818 -11.372 88.651 1.00 0.00 O ATOM 84 CB PHE A 6 -4.079 -11.763 86.061 1.00 0.00 C ATOM 85 CG PHE A 6 -2.712 -11.879 85.415 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.747 -12.750 85.945 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.413 -11.115 84.281 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.488 -12.853 85.338 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.156 -11.220 83.675 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.194 -12.089 84.203 1.00 0.00 C ATOM 0 H PHE A 6 -5.766 -10.578 87.524 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.829 -12.705 87.994 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.695 -12.617 85.779 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.586 -10.870 85.697 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.975 -13.340 86.820 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.154 -10.443 83.873 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.255 -13.522 85.746 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.928 -10.630 82.799 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.776 -12.170 83.734 1.00 0.00 H new ATOM 100 N MET A 7 -2.572 -9.667 87.491 1.00 0.00 N ATOM 101 CA MET A 7 -1.340 -8.871 87.806 1.00 0.00 C ATOM 102 C MET A 7 -1.212 -8.617 89.313 1.00 0.00 C ATOM 103 O MET A 7 -0.122 -8.526 89.842 1.00 0.00 O ATOM 104 CB MET A 7 -1.362 -7.535 87.052 1.00 0.00 C ATOM 105 CG MET A 7 -2.292 -6.529 87.750 1.00 0.00 C ATOM 106 SD MET A 7 -3.259 -5.641 86.504 1.00 0.00 S ATOM 107 CE MET A 7 -4.215 -7.059 85.909 1.00 0.00 C ATOM 0 H MET A 7 -3.262 -9.194 86.908 1.00 0.00 H new ATOM 0 HA MET A 7 -0.476 -9.452 87.483 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.353 -7.127 86.997 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.697 -7.696 86.027 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.957 -7.049 88.440 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.706 -5.825 88.342 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.190 -6.720 85.559 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.682 -7.539 85.088 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.349 -7.774 86.721 1.00 0.00 H new ATOM 117 N TRP A 8 -2.302 -8.493 90.015 1.00 0.00 N ATOM 118 CA TRP A 8 -2.211 -8.240 91.477 1.00 0.00 C ATOM 119 C TRP A 8 -1.573 -9.450 92.176 1.00 0.00 C ATOM 120 O TRP A 8 -1.348 -9.441 93.373 1.00 0.00 O ATOM 121 CB TRP A 8 -3.620 -7.948 91.998 1.00 0.00 C ATOM 122 CG TRP A 8 -3.757 -8.348 93.423 1.00 0.00 C ATOM 123 CD1 TRP A 8 -3.472 -7.582 94.499 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.232 -9.616 93.932 1.00 0.00 C ATOM 125 NE1 TRP A 8 -3.754 -8.309 95.646 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.226 -9.574 95.342 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.670 -10.789 93.299 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.641 -10.670 96.104 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.088 -11.894 94.058 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.076 -11.833 95.458 1.00 0.00 C ATOM 0 H TRP A 8 -3.249 -8.556 89.641 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.576 -7.380 91.688 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.837 -6.885 91.893 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.353 -8.484 91.395 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.089 -6.573 94.471 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.629 -7.956 96.595 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.686 -10.842 92.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.626 -10.620 97.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.420 -12.794 93.561 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.402 -12.683 96.038 1.00 0.00 H new ATOM 141 N ALA A 9 -1.249 -10.479 91.428 1.00 0.00 N ATOM 142 CA ALA A 9 -0.589 -11.674 92.028 1.00 0.00 C ATOM 143 C ALA A 9 0.930 -11.472 91.987 1.00 0.00 C ATOM 144 O ALA A 9 1.614 -11.633 92.980 1.00 0.00 O ATOM 145 CB ALA A 9 -0.959 -12.937 91.245 1.00 0.00 C ATOM 0 H ALA A 9 -1.416 -10.539 90.424 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.925 -11.793 93.058 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.470 -13.801 91.695 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.040 -13.078 91.271 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.632 -12.833 90.211 1.00 0.00 H new ATOM 151 N LEU A 10 1.461 -11.103 90.844 1.00 0.00 N ATOM 152 CA LEU A 10 2.929 -10.866 90.740 1.00 0.00 C ATOM 153 C LEU A 10 3.322 -9.866 91.825 1.00 0.00 C ATOM 154 O LEU A 10 4.443 -9.822 92.294 1.00 0.00 O ATOM 155 CB LEU A 10 3.259 -10.227 89.380 1.00 0.00 C ATOM 156 CG LEU A 10 3.031 -11.215 88.225 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.649 -10.973 87.605 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.101 -10.987 87.155 1.00 0.00 C ATOM 0 H LEU A 10 0.937 -10.957 89.981 1.00 0.00 H new ATOM 0 HA LEU A 10 3.461 -11.811 90.848 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.639 -9.343 89.232 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.297 -9.893 89.376 1.00 0.00 H new ATOM 0 HG LEU A 10 3.088 -12.236 88.603 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.490 -11.675 86.786 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.880 -11.119 88.363 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.594 -9.953 87.224 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.946 -11.684 86.332 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.031 -9.965 86.783 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.088 -11.149 87.587 1.00 0.00 H new ATOM 170 N LYS A 11 2.387 -9.033 92.175 1.00 0.00 N ATOM 171 CA LYS A 11 2.626 -7.959 93.182 1.00 0.00 C ATOM 172 C LYS A 11 2.331 -8.433 94.609 1.00 0.00 C ATOM 173 O LYS A 11 3.168 -8.344 95.485 1.00 0.00 O ATOM 174 CB LYS A 11 1.698 -6.797 92.833 1.00 0.00 C ATOM 175 CG LYS A 11 1.672 -5.776 93.965 1.00 0.00 C ATOM 176 CD LYS A 11 1.079 -4.475 93.428 1.00 0.00 C ATOM 177 CE LYS A 11 -0.345 -4.732 92.922 1.00 0.00 C ATOM 178 NZ LYS A 11 -1.086 -3.442 92.859 1.00 0.00 N ATOM 0 H LYS A 11 1.440 -9.050 91.796 1.00 0.00 H new ATOM 0 HA LYS A 11 3.675 -7.665 93.152 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.034 -6.320 91.912 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.691 -7.171 92.649 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.076 -6.149 94.798 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.679 -5.605 94.345 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.067 -3.718 94.212 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.699 -4.087 92.620 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.315 -5.195 91.936 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.859 -5.428 93.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.053 -3.613 92.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.125 -3.018 93.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.598 -2.793 92.209 1.00 0.00 H new ATOM 192 N ASN A 12 1.143 -8.901 94.861 1.00 0.00 N ATOM 193 CA ASN A 12 0.794 -9.334 96.244 1.00 0.00 C ATOM 194 C ASN A 12 1.430 -10.689 96.545 1.00 0.00 C ATOM 195 O ASN A 12 1.101 -11.340 97.516 1.00 0.00 O ATOM 196 CB ASN A 12 -0.724 -9.440 96.365 1.00 0.00 C ATOM 197 CG ASN A 12 -1.118 -9.526 97.839 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.860 -8.617 98.603 1.00 0.00 O ATOM 199 ND2 ASN A 12 -1.737 -10.589 98.274 1.00 0.00 N ATOM 0 H ASN A 12 0.398 -9.003 94.172 1.00 0.00 H new ATOM 0 HA ASN A 12 1.171 -8.603 96.959 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.197 -8.574 95.902 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.080 -10.321 95.831 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.005 -10.657 99.256 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.953 -11.352 97.632 1.00 0.00 H new ATOM 206 N GLY A 13 2.362 -11.099 95.738 1.00 0.00 N ATOM 207 CA GLY A 13 3.051 -12.387 95.989 1.00 0.00 C ATOM 208 C GLY A 13 2.093 -13.567 95.864 1.00 0.00 C ATOM 209 O GLY A 13 2.423 -14.669 96.252 1.00 0.00 O ATOM 0 H GLY A 13 2.677 -10.593 94.910 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.871 -12.506 95.281 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.490 -12.378 96.987 1.00 0.00 H new ATOM 213 N ASP A 14 0.926 -13.381 95.310 1.00 0.00 N ATOM 214 CA ASP A 14 0.022 -14.545 95.155 1.00 0.00 C ATOM 215 C ASP A 14 0.648 -15.453 94.108 1.00 0.00 C ATOM 216 O ASP A 14 0.049 -15.813 93.114 1.00 0.00 O ATOM 217 CB ASP A 14 -1.365 -14.102 94.712 1.00 0.00 C ATOM 218 CG ASP A 14 -1.724 -12.779 95.390 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.260 -12.562 96.496 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.457 -12.008 94.793 1.00 0.00 O ATOM 0 H ASP A 14 0.568 -12.490 94.965 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.098 -15.066 96.105 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.391 -13.986 93.629 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.100 -14.865 94.969 1.00 0.00 H new ATOM 225 N LEU A 15 1.875 -15.785 94.348 1.00 0.00 N ATOM 226 CA LEU A 15 2.657 -16.642 93.432 1.00 0.00 C ATOM 227 C LEU A 15 1.839 -17.882 93.057 1.00 0.00 C ATOM 228 O LEU A 15 2.011 -18.470 92.011 1.00 0.00 O ATOM 229 CB LEU A 15 3.943 -17.027 94.182 1.00 0.00 C ATOM 230 CG LEU A 15 4.874 -17.888 93.323 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.370 -19.336 93.291 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.954 -17.335 91.897 1.00 0.00 C ATOM 0 H LEU A 15 2.389 -15.485 95.176 1.00 0.00 H new ATOM 0 HA LEU A 15 2.901 -16.125 92.504 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.468 -16.122 94.490 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.684 -17.570 95.091 1.00 0.00 H new ATOM 0 HG LEU A 15 5.871 -17.864 93.764 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.038 -19.940 92.678 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.347 -19.736 94.305 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.366 -19.363 92.868 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.620 -17.959 91.301 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.960 -17.336 91.450 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.339 -16.316 91.923 1.00 0.00 H new ATOM 244 N ASP A 16 0.943 -18.276 93.906 1.00 0.00 N ATOM 245 CA ASP A 16 0.101 -19.460 93.616 1.00 0.00 C ATOM 246 C ASP A 16 -0.845 -19.147 92.450 1.00 0.00 C ATOM 247 O ASP A 16 -1.213 -20.016 91.677 1.00 0.00 O ATOM 248 CB ASP A 16 -0.716 -19.784 94.863 1.00 0.00 C ATOM 249 CG ASP A 16 0.183 -20.464 95.897 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.373 -20.558 95.644 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.332 -20.878 96.921 1.00 0.00 O ATOM 0 H ASP A 16 0.755 -17.823 94.800 1.00 0.00 H new ATOM 0 HA ASP A 16 0.728 -20.309 93.344 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.142 -18.871 95.279 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.550 -20.436 94.605 1.00 0.00 H new ATOM 256 N GLU A 17 -1.262 -17.910 92.338 1.00 0.00 N ATOM 257 CA GLU A 17 -2.212 -17.520 91.247 1.00 0.00 C ATOM 258 C GLU A 17 -1.490 -17.388 89.904 1.00 0.00 C ATOM 259 O GLU A 17 -1.949 -17.883 88.889 1.00 0.00 O ATOM 260 CB GLU A 17 -2.842 -16.170 91.576 1.00 0.00 C ATOM 261 CG GLU A 17 -3.800 -15.774 90.448 1.00 0.00 C ATOM 262 CD GLU A 17 -4.791 -14.732 90.965 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.347 -13.766 91.560 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.979 -14.922 90.760 1.00 0.00 O ATOM 0 H GLU A 17 -0.985 -17.149 92.958 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.971 -18.299 91.174 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.379 -16.227 92.523 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.067 -15.413 91.694 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.239 -15.371 89.605 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.335 -16.652 90.085 1.00 0.00 H new ATOM 271 N VAL A 18 -0.379 -16.705 89.877 1.00 0.00 N ATOM 272 CA VAL A 18 0.345 -16.526 88.591 1.00 0.00 C ATOM 273 C VAL A 18 0.845 -17.887 88.119 1.00 0.00 C ATOM 274 O VAL A 18 0.950 -18.158 86.937 1.00 0.00 O ATOM 275 CB VAL A 18 1.537 -15.584 88.813 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.117 -14.129 88.549 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.024 -15.721 90.258 1.00 0.00 C ATOM 0 H VAL A 18 0.056 -16.265 90.688 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.318 -16.097 87.839 1.00 0.00 H new ATOM 0 HB VAL A 18 2.339 -15.851 88.125 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.970 -13.469 88.709 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.771 -14.031 87.520 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.312 -13.853 89.230 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.871 -15.054 90.421 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.217 -15.456 90.941 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.332 -16.750 90.442 1.00 0.00 H new ATOM 287 N LYS A 19 1.141 -18.745 89.051 1.00 0.00 N ATOM 288 CA LYS A 19 1.627 -20.105 88.709 1.00 0.00 C ATOM 289 C LYS A 19 0.528 -20.867 87.967 1.00 0.00 C ATOM 290 O LYS A 19 0.787 -21.796 87.231 1.00 0.00 O ATOM 291 CB LYS A 19 1.974 -20.836 90.012 1.00 0.00 C ATOM 292 CG LYS A 19 2.638 -22.183 89.713 1.00 0.00 C ATOM 293 CD LYS A 19 3.352 -22.686 90.976 1.00 0.00 C ATOM 294 CE LYS A 19 4.744 -22.046 91.076 1.00 0.00 C ATOM 295 NZ LYS A 19 5.771 -23.032 90.639 1.00 0.00 N ATOM 0 H LYS A 19 1.065 -18.557 90.051 1.00 0.00 H new ATOM 0 HA LYS A 19 2.508 -20.042 88.070 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.642 -20.220 90.614 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.069 -20.993 90.600 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.890 -22.907 89.391 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.351 -22.077 88.896 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.764 -22.439 91.860 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.442 -23.772 90.946 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.792 -21.153 90.453 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.939 -21.730 92.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.372 -23.289 91.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.300 -23.884 90.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.358 -22.613 89.890 1.00 0.00 H new ATOM 309 N ASP A 20 -0.700 -20.488 88.179 1.00 0.00 N ATOM 310 CA ASP A 20 -1.841 -21.190 87.523 1.00 0.00 C ATOM 311 C ASP A 20 -1.907 -20.915 86.011 1.00 0.00 C ATOM 312 O ASP A 20 -1.940 -21.835 85.209 1.00 0.00 O ATOM 313 CB ASP A 20 -3.148 -20.729 88.171 1.00 0.00 C ATOM 314 CG ASP A 20 -4.325 -21.471 87.532 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.125 -22.592 87.094 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.405 -20.904 87.491 1.00 0.00 O ATOM 0 H ASP A 20 -0.967 -19.713 88.786 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.692 -22.261 87.658 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.122 -20.922 89.244 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.270 -19.653 88.043 1.00 0.00 H new ATOM 321 N TYR A 21 -1.981 -19.674 85.600 1.00 0.00 N ATOM 322 CA TYR A 21 -2.108 -19.402 84.142 1.00 0.00 C ATOM 323 C TYR A 21 -0.927 -19.985 83.351 1.00 0.00 C ATOM 324 O TYR A 21 -1.126 -20.662 82.363 1.00 0.00 O ATOM 325 CB TYR A 21 -2.232 -17.902 83.893 1.00 0.00 C ATOM 326 CG TYR A 21 -0.892 -17.245 83.983 1.00 0.00 C ATOM 327 CD1 TYR A 21 -0.069 -17.143 82.857 1.00 0.00 C ATOM 328 CD2 TYR A 21 -0.485 -16.728 85.198 1.00 0.00 C ATOM 329 CE1 TYR A 21 1.176 -16.516 82.961 1.00 0.00 C ATOM 330 CE2 TYR A 21 0.754 -16.100 85.311 1.00 0.00 C ATOM 331 CZ TYR A 21 1.590 -15.991 84.191 1.00 0.00 C ATOM 332 OH TYR A 21 2.815 -15.367 84.299 1.00 0.00 O ATOM 0 H TYR A 21 -1.959 -18.851 86.203 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.014 -19.895 83.789 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.665 -17.725 82.909 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.910 -17.461 84.624 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.394 -17.547 81.910 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.128 -16.811 86.062 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.817 -16.437 82.095 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.070 -15.697 86.262 1.00 0.00 H new ATOM 0 HH TYR A 21 2.945 -15.060 85.220 1.00 0.00 H new ATOM 342 N VAL A 22 0.293 -19.744 83.752 1.00 0.00 N ATOM 343 CA VAL A 22 1.429 -20.319 82.973 1.00 0.00 C ATOM 344 C VAL A 22 1.411 -21.843 83.109 1.00 0.00 C ATOM 345 O VAL A 22 2.022 -22.553 82.334 1.00 0.00 O ATOM 346 CB VAL A 22 2.767 -19.750 83.455 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.112 -20.298 84.836 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.866 -20.144 82.461 1.00 0.00 C ATOM 0 H VAL A 22 0.550 -19.187 84.567 1.00 0.00 H new ATOM 0 HA VAL A 22 1.315 -20.048 81.924 1.00 0.00 H new ATOM 0 HB VAL A 22 2.691 -18.665 83.518 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.065 -19.884 85.164 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.332 -20.018 85.544 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.185 -21.384 84.788 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.822 -19.742 82.797 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.930 -21.230 82.401 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.629 -19.740 81.477 1.00 0.00 H new ATOM 358 N ALA A 23 0.694 -22.361 84.074 1.00 0.00 N ATOM 359 CA ALA A 23 0.625 -23.838 84.227 1.00 0.00 C ATOM 360 C ALA A 23 0.140 -24.416 82.903 1.00 0.00 C ATOM 361 O ALA A 23 0.429 -25.543 82.555 1.00 0.00 O ATOM 362 CB ALA A 23 -0.372 -24.208 85.331 1.00 0.00 C ATOM 0 H ALA A 23 0.158 -21.825 84.757 1.00 0.00 H new ATOM 0 HA ALA A 23 1.605 -24.234 84.494 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.415 -25.292 85.434 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.051 -23.766 86.274 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.360 -23.829 85.071 1.00 0.00 H new ATOM 368 N LYS A 24 -0.582 -23.634 82.152 1.00 0.00 N ATOM 369 CA LYS A 24 -1.074 -24.116 80.834 1.00 0.00 C ATOM 370 C LYS A 24 0.121 -24.564 79.994 1.00 0.00 C ATOM 371 O LYS A 24 0.411 -25.741 79.894 1.00 0.00 O ATOM 372 CB LYS A 24 -1.805 -22.978 80.114 1.00 0.00 C ATOM 373 CG LYS A 24 -3.307 -23.069 80.392 1.00 0.00 C ATOM 374 CD LYS A 24 -3.561 -22.918 81.893 1.00 0.00 C ATOM 375 CE LYS A 24 -5.068 -22.842 82.156 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.651 -24.213 82.105 1.00 0.00 N ATOM 0 H LYS A 24 -0.853 -22.681 82.395 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.760 -24.951 80.978 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.421 -22.016 80.452 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.620 -23.036 79.041 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.837 -22.290 79.843 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.695 -24.026 80.042 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.130 -23.762 82.431 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.071 -22.019 82.266 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.256 -22.391 83.131 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.546 -22.204 81.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.674 -24.162 82.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.484 -24.627 81.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.202 -24.808 82.830 1.00 0.00 H new ATOM 390 N GLY A 25 0.818 -23.643 79.388 1.00 0.00 N ATOM 391 CA GLY A 25 1.990 -24.042 78.559 1.00 0.00 C ATOM 392 C GLY A 25 2.919 -22.855 78.292 1.00 0.00 C ATOM 393 O GLY A 25 2.814 -22.188 77.285 1.00 0.00 O ATOM 0 H GLY A 25 0.630 -22.641 79.430 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.544 -24.832 79.067 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.643 -24.454 77.611 1.00 0.00 H new ATOM 397 N GLU A 26 3.840 -22.619 79.184 1.00 0.00 N ATOM 398 CA GLU A 26 4.833 -21.508 79.021 1.00 0.00 C ATOM 399 C GLU A 26 4.253 -20.324 78.234 1.00 0.00 C ATOM 400 O GLU A 26 4.136 -20.359 77.024 1.00 0.00 O ATOM 401 CB GLU A 26 6.089 -22.027 78.309 1.00 0.00 C ATOM 402 CG GLU A 26 5.702 -22.973 77.172 1.00 0.00 C ATOM 403 CD GLU A 26 6.941 -23.275 76.327 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.826 -23.948 76.829 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.986 -22.824 75.194 1.00 0.00 O ATOM 0 H GLU A 26 3.952 -23.160 80.041 1.00 0.00 H new ATOM 0 HA GLU A 26 5.088 -21.153 80.020 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.664 -21.189 77.914 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.730 -22.546 79.021 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.288 -23.897 77.576 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.927 -22.520 76.554 1.00 0.00 H new ATOM 412 N ASP A 27 3.933 -19.264 78.917 1.00 0.00 N ATOM 413 CA ASP A 27 3.403 -18.045 78.241 1.00 0.00 C ATOM 414 C ASP A 27 3.864 -16.838 79.051 1.00 0.00 C ATOM 415 O ASP A 27 3.098 -15.951 79.365 1.00 0.00 O ATOM 416 CB ASP A 27 1.872 -18.086 78.198 1.00 0.00 C ATOM 417 CG ASP A 27 1.375 -17.301 76.981 1.00 0.00 C ATOM 418 OD1 ASP A 27 2.136 -16.500 76.466 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.241 -17.516 76.585 1.00 0.00 O ATOM 0 H ASP A 27 4.017 -19.187 79.931 1.00 0.00 H new ATOM 0 HA ASP A 27 3.769 -17.989 77.216 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.526 -19.118 78.144 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.460 -17.659 79.113 1.00 0.00 H new ATOM 424 N VAL A 28 5.116 -16.822 79.414 1.00 0.00 N ATOM 425 CA VAL A 28 5.655 -15.704 80.234 1.00 0.00 C ATOM 426 C VAL A 28 6.355 -14.684 79.332 1.00 0.00 C ATOM 427 O VAL A 28 7.542 -14.449 79.433 1.00 0.00 O ATOM 428 CB VAL A 28 6.639 -16.282 81.249 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.866 -17.149 82.248 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.676 -17.145 80.523 1.00 0.00 C ATOM 0 H VAL A 28 5.795 -17.544 79.174 1.00 0.00 H new ATOM 0 HA VAL A 28 4.844 -15.195 80.756 1.00 0.00 H new ATOM 0 HB VAL A 28 7.148 -15.473 81.773 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.558 -17.568 82.978 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.123 -16.538 82.761 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.366 -17.959 81.716 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.378 -17.557 81.248 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.172 -17.959 80.003 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.217 -16.533 79.801 1.00 0.00 H new ATOM 440 N ASN A 29 5.614 -14.071 78.458 1.00 0.00 N ATOM 441 CA ASN A 29 6.194 -13.062 77.544 1.00 0.00 C ATOM 442 C ASN A 29 5.047 -12.393 76.794 1.00 0.00 C ATOM 443 O ASN A 29 5.193 -11.930 75.681 1.00 0.00 O ATOM 444 CB ASN A 29 7.138 -13.746 76.558 1.00 0.00 C ATOM 445 CG ASN A 29 6.469 -14.994 75.989 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.228 -16.002 76.777 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.163 -15.053 74.815 1.00 0.00 N flip ATOM 0 H ASN A 29 4.614 -14.231 78.338 1.00 0.00 H new ATOM 0 HA ASN A 29 6.760 -12.318 78.104 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.397 -13.060 75.751 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.068 -14.016 77.058 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.352 -14.263 74.198 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.717 -15.893 74.446 1.00 0.00 H new ATOM 454 N ARG A 30 3.900 -12.333 77.416 1.00 0.00 N ATOM 455 CA ARG A 30 2.722 -11.691 76.782 1.00 0.00 C ATOM 456 C ARG A 30 2.500 -10.333 77.444 1.00 0.00 C ATOM 457 O ARG A 30 2.746 -10.159 78.621 1.00 0.00 O ATOM 458 CB ARG A 30 1.486 -12.573 76.983 1.00 0.00 C ATOM 459 CG ARG A 30 1.604 -13.333 78.306 1.00 0.00 C ATOM 460 CD ARG A 30 0.337 -14.173 78.529 1.00 0.00 C ATOM 461 NE ARG A 30 -0.138 -14.023 79.940 1.00 0.00 N ATOM 462 CZ ARG A 30 0.695 -14.087 80.949 1.00 0.00 C ATOM 463 NH1 ARG A 30 1.960 -14.338 80.746 1.00 0.00 N ATOM 464 NH2 ARG A 30 0.255 -13.911 82.166 1.00 0.00 N ATOM 0 H ARG A 30 3.731 -12.708 78.349 1.00 0.00 H new ATOM 0 HA ARG A 30 2.893 -11.563 75.713 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.585 -11.959 76.984 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.391 -13.276 76.156 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.483 -13.978 78.290 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.738 -12.632 79.130 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.445 -13.857 77.838 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.545 -15.222 78.317 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.130 -13.868 80.120 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.305 -14.486 79.797 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.603 -14.386 81.536 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.735 -13.724 82.329 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.901 -13.960 82.954 1.00 0.00 H new ATOM 478 N THR A 31 2.052 -9.368 76.703 1.00 0.00 N ATOM 479 CA THR A 31 1.832 -8.020 77.301 1.00 0.00 C ATOM 480 C THR A 31 0.902 -8.140 78.510 1.00 0.00 C ATOM 481 O THR A 31 -0.259 -8.481 78.397 1.00 0.00 O ATOM 482 CB THR A 31 1.235 -7.067 76.260 1.00 0.00 C ATOM 483 OG1 THR A 31 1.679 -7.452 74.966 1.00 0.00 O ATOM 484 CG2 THR A 31 1.704 -5.639 76.555 1.00 0.00 C ATOM 0 H THR A 31 1.827 -9.448 75.711 1.00 0.00 H new ATOM 0 HA THR A 31 2.789 -7.614 77.628 1.00 0.00 H new ATOM 0 HB THR A 31 0.147 -7.110 76.302 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.298 -6.846 74.296 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.282 -4.957 75.817 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.373 -5.346 77.551 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.792 -5.596 76.507 1.00 0.00 H new ATOM 492 N LEU A 32 1.431 -7.865 79.667 1.00 0.00 N ATOM 493 CA LEU A 32 0.646 -7.953 80.928 1.00 0.00 C ATOM 494 C LEU A 32 -0.608 -7.070 80.850 1.00 0.00 C ATOM 495 O LEU A 32 -1.679 -7.526 80.505 1.00 0.00 O ATOM 496 CB LEU A 32 1.559 -7.477 82.063 1.00 0.00 C ATOM 497 CG LEU A 32 0.931 -7.760 83.433 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.038 -7.785 84.498 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.071 -6.654 83.781 1.00 0.00 C ATOM 0 H LEU A 32 2.401 -7.575 79.795 1.00 0.00 H new ATOM 0 HA LEU A 32 0.314 -8.977 81.099 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.524 -7.978 81.992 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.746 -6.408 81.959 1.00 0.00 H new ATOM 0 HG LEU A 32 0.417 -8.721 83.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.598 -7.986 85.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.758 -8.567 84.256 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.544 -6.820 84.519 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.515 -6.859 84.755 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.443 -5.693 83.811 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.855 -6.622 83.024 1.00 0.00 H new ATOM 511 N GLU A 33 -0.483 -5.814 81.187 1.00 0.00 N ATOM 512 CA GLU A 33 -1.660 -4.897 81.155 1.00 0.00 C ATOM 513 C GLU A 33 -1.909 -4.405 79.721 1.00 0.00 C ATOM 514 O GLU A 33 -2.941 -4.673 79.139 1.00 0.00 O ATOM 515 CB GLU A 33 -1.375 -3.715 82.091 1.00 0.00 C ATOM 516 CG GLU A 33 -2.208 -2.493 81.691 1.00 0.00 C ATOM 517 CD GLU A 33 -3.666 -2.903 81.469 1.00 0.00 C ATOM 518 OE1 GLU A 33 -4.176 -3.671 82.269 1.00 0.00 O ATOM 519 OE2 GLU A 33 -4.249 -2.440 80.503 1.00 0.00 O ATOM 0 H GLU A 33 0.391 -5.381 81.485 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.555 -5.422 81.488 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.603 -3.996 83.119 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.315 -3.465 82.057 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.150 -1.732 82.470 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.804 -2.049 80.781 1.00 0.00 H new ATOM 526 N GLY A 34 -0.978 -3.691 79.145 1.00 0.00 N ATOM 527 CA GLY A 34 -1.177 -3.194 77.750 1.00 0.00 C ATOM 528 C GLY A 34 0.184 -2.911 77.115 1.00 0.00 C ATOM 529 O GLY A 34 0.303 -2.739 75.917 1.00 0.00 O ATOM 0 H GLY A 34 -0.092 -3.431 79.577 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.719 -3.935 77.162 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.783 -2.288 77.758 1.00 0.00 H new ATOM 533 N GLY A 35 1.208 -2.871 77.915 1.00 0.00 N ATOM 534 CA GLY A 35 2.576 -2.611 77.387 1.00 0.00 C ATOM 535 C GLY A 35 3.589 -2.974 78.468 1.00 0.00 C ATOM 536 O GLY A 35 4.638 -2.371 78.580 1.00 0.00 O ATOM 0 H GLY A 35 1.157 -3.009 78.924 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.754 -3.201 76.488 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.681 -1.563 77.106 1.00 0.00 H new ATOM 540 N ARG A 36 3.271 -3.945 79.284 1.00 0.00 N ATOM 541 CA ARG A 36 4.198 -4.341 80.383 1.00 0.00 C ATOM 542 C ARG A 36 4.298 -5.878 80.467 1.00 0.00 C ATOM 543 O ARG A 36 3.347 -6.588 80.216 1.00 0.00 O ATOM 544 CB ARG A 36 3.657 -3.758 81.694 1.00 0.00 C ATOM 545 CG ARG A 36 3.090 -2.357 81.413 1.00 0.00 C ATOM 546 CD ARG A 36 2.747 -1.641 82.726 1.00 0.00 C ATOM 547 NE ARG A 36 2.869 -0.166 82.534 1.00 0.00 N ATOM 548 CZ ARG A 36 2.303 0.656 83.379 1.00 0.00 C ATOM 549 NH1 ARG A 36 1.598 0.191 84.372 1.00 0.00 N ATOM 550 NH2 ARG A 36 2.437 1.947 83.224 1.00 0.00 N ATOM 0 H ARG A 36 2.405 -4.482 79.235 1.00 0.00 H new ATOM 0 HA ARG A 36 5.199 -3.955 80.193 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.881 -4.405 82.103 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.451 -3.702 82.439 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.817 -1.770 80.851 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.198 -2.437 80.792 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.734 -1.896 83.038 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.417 -1.972 83.519 1.00 0.00 H new ATOM 0 HE ARG A 36 3.395 0.202 81.742 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.487 -0.816 84.491 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.157 0.834 85.030 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.983 2.313 82.444 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.996 2.588 83.883 1.00 0.00 H new ATOM 564 N LYS A 37 5.458 -6.387 80.810 1.00 0.00 N ATOM 565 CA LYS A 37 5.664 -7.872 80.912 1.00 0.00 C ATOM 566 C LYS A 37 5.538 -8.292 82.395 1.00 0.00 C ATOM 567 O LYS A 37 5.461 -7.439 83.254 1.00 0.00 O ATOM 568 CB LYS A 37 7.065 -8.195 80.375 1.00 0.00 C ATOM 569 CG LYS A 37 8.010 -7.041 80.714 1.00 0.00 C ATOM 570 CD LYS A 37 7.974 -6.771 82.224 1.00 0.00 C ATOM 571 CE LYS A 37 9.214 -5.984 82.637 1.00 0.00 C ATOM 572 NZ LYS A 37 9.233 -4.671 81.930 1.00 0.00 N ATOM 0 H LYS A 37 6.284 -5.830 81.027 1.00 0.00 H new ATOM 0 HA LYS A 37 4.919 -8.415 80.331 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.432 -9.123 80.815 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.028 -8.346 79.296 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.025 -7.286 80.403 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.716 -6.145 80.167 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.074 -6.212 82.482 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.931 -7.713 82.770 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.215 -5.827 83.716 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.113 -6.551 82.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.944 -4.051 82.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.472 -4.819 80.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.296 -4.225 82.000 1.00 0.00 H new ATOM 586 N PRO A 38 5.476 -9.583 82.667 1.00 0.00 N ATOM 587 CA PRO A 38 5.308 -10.083 84.054 1.00 0.00 C ATOM 588 C PRO A 38 6.636 -10.131 84.857 1.00 0.00 C ATOM 589 O PRO A 38 6.949 -11.142 85.460 1.00 0.00 O ATOM 590 CB PRO A 38 4.769 -11.511 83.856 1.00 0.00 C ATOM 591 CG PRO A 38 5.093 -11.923 82.396 1.00 0.00 C ATOM 592 CD PRO A 38 5.538 -10.654 81.645 1.00 0.00 C ATOM 0 HA PRO A 38 4.656 -9.427 84.630 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.233 -12.199 84.562 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.695 -11.546 84.037 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.880 -12.676 82.376 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.218 -12.364 81.919 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.545 -10.762 81.243 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.880 -10.439 80.803 1.00 0.00 H new ATOM 600 N LEU A 39 7.407 -9.062 84.900 1.00 0.00 N ATOM 601 CA LEU A 39 8.688 -9.088 85.698 1.00 0.00 C ATOM 602 C LEU A 39 8.781 -7.820 86.573 1.00 0.00 C ATOM 603 O LEU A 39 9.391 -7.819 87.622 1.00 0.00 O ATOM 604 CB LEU A 39 9.902 -9.126 84.741 1.00 0.00 C ATOM 605 CG LEU A 39 11.169 -9.816 85.356 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.945 -10.350 86.780 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.590 -10.981 84.456 1.00 0.00 C ATOM 0 H LEU A 39 7.209 -8.182 84.424 1.00 0.00 H new ATOM 0 HA LEU A 39 8.692 -9.975 86.331 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.619 -9.653 83.830 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.158 -8.106 84.453 1.00 0.00 H new ATOM 0 HG LEU A 39 11.944 -9.052 85.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.862 -10.814 87.143 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.670 -9.526 87.439 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.144 -11.089 86.770 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.471 -11.466 84.877 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.775 -11.702 84.389 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.824 -10.605 83.460 1.00 0.00 H new ATOM 619 N HIS A 40 8.194 -6.733 86.139 1.00 0.00 N ATOM 620 CA HIS A 40 8.274 -5.465 86.936 1.00 0.00 C ATOM 621 C HIS A 40 7.424 -5.595 88.198 1.00 0.00 C ATOM 622 O HIS A 40 7.847 -5.240 89.279 1.00 0.00 O ATOM 623 CB HIS A 40 7.743 -4.297 86.095 1.00 0.00 C ATOM 624 CG HIS A 40 7.882 -3.012 86.869 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.762 -2.010 86.487 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.259 -2.549 88.003 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.645 -1.005 87.375 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.743 -1.283 88.321 1.00 0.00 N ATOM 0 H HIS A 40 7.664 -6.666 85.270 1.00 0.00 H new ATOM 0 HA HIS A 40 9.313 -5.281 87.211 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.295 -4.230 85.158 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.698 -4.467 85.838 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.508 -3.086 88.563 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.211 -0.086 87.329 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.468 -0.694 89.107 1.00 0.00 H new ATOM 636 N TYR A 41 6.237 -6.114 88.075 1.00 0.00 N ATOM 637 CA TYR A 41 5.372 -6.279 89.275 1.00 0.00 C ATOM 638 C TYR A 41 6.020 -7.310 90.184 1.00 0.00 C ATOM 639 O TYR A 41 6.043 -7.175 91.391 1.00 0.00 O ATOM 640 CB TYR A 41 4.001 -6.780 88.839 1.00 0.00 C ATOM 641 CG TYR A 41 3.477 -5.872 87.760 1.00 0.00 C ATOM 642 CD1 TYR A 41 3.958 -5.987 86.450 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.524 -4.900 88.075 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.483 -5.129 85.456 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.047 -4.045 87.080 1.00 0.00 C ATOM 646 CZ TYR A 41 2.527 -4.158 85.770 1.00 0.00 C ATOM 647 OH TYR A 41 2.059 -3.313 84.788 1.00 0.00 O ATOM 0 H TYR A 41 5.828 -6.431 87.196 1.00 0.00 H new ATOM 0 HA TYR A 41 5.258 -5.330 89.798 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.072 -7.803 88.470 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.316 -6.794 89.687 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.695 -6.738 86.209 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.157 -4.810 89.087 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.854 -5.215 84.445 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.307 -3.296 87.321 1.00 0.00 H new ATOM 0 HH TYR A 41 1.399 -2.699 85.172 1.00 0.00 H new ATOM 657 N ALA A 42 6.565 -8.332 89.601 1.00 0.00 N ATOM 658 CA ALA A 42 7.239 -9.375 90.404 1.00 0.00 C ATOM 659 C ALA A 42 8.513 -8.782 90.992 1.00 0.00 C ATOM 660 O ALA A 42 8.712 -8.751 92.188 1.00 0.00 O ATOM 661 CB ALA A 42 7.610 -10.545 89.492 1.00 0.00 C ATOM 0 H ALA A 42 6.572 -8.490 88.593 1.00 0.00 H new ATOM 0 HA ALA A 42 6.581 -9.723 91.200 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.108 -11.319 90.077 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.707 -10.956 89.041 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.281 -10.196 88.707 1.00 0.00 H new ATOM 667 N ALA A 43 9.377 -8.313 90.144 1.00 0.00 N ATOM 668 CA ALA A 43 10.648 -7.722 90.619 1.00 0.00 C ATOM 669 C ALA A 43 10.356 -6.643 91.669 1.00 0.00 C ATOM 670 O ALA A 43 10.790 -6.730 92.802 1.00 0.00 O ATOM 671 CB ALA A 43 11.357 -7.076 89.424 1.00 0.00 C ATOM 0 H ALA A 43 9.254 -8.315 89.131 1.00 0.00 H new ATOM 0 HA ALA A 43 11.274 -8.496 91.063 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.297 -6.634 89.754 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.558 -7.834 88.667 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.721 -6.300 89.000 1.00 0.00 H new ATOM 677 N ASP A 44 9.640 -5.620 91.290 1.00 0.00 N ATOM 678 CA ASP A 44 9.334 -4.505 92.235 1.00 0.00 C ATOM 679 C ASP A 44 8.662 -5.000 93.523 1.00 0.00 C ATOM 680 O ASP A 44 8.903 -4.463 94.587 1.00 0.00 O ATOM 681 CB ASP A 44 8.412 -3.499 91.548 1.00 0.00 C ATOM 682 CG ASP A 44 9.134 -2.892 90.345 1.00 0.00 C ATOM 683 OD1 ASP A 44 9.596 -3.653 89.511 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.215 -1.676 90.279 1.00 0.00 O ATOM 0 H ASP A 44 9.249 -5.507 90.355 1.00 0.00 H new ATOM 0 HA ASP A 44 10.281 -4.040 92.510 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.494 -3.991 91.226 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.125 -2.715 92.248 1.00 0.00 H new ATOM 689 N CYS A 45 7.814 -5.991 93.456 1.00 0.00 N ATOM 690 CA CYS A 45 7.130 -6.458 94.704 1.00 0.00 C ATOM 691 C CYS A 45 6.630 -7.886 94.525 1.00 0.00 C ATOM 692 O CYS A 45 5.449 -8.152 94.619 1.00 0.00 O ATOM 693 CB CYS A 45 5.917 -5.566 94.986 1.00 0.00 C ATOM 694 SG CYS A 45 6.402 -3.822 94.937 1.00 0.00 S ATOM 0 H CYS A 45 7.565 -6.494 92.604 1.00 0.00 H new ATOM 0 HA CYS A 45 7.843 -6.412 95.528 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.137 -5.755 94.248 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.497 -5.808 95.963 1.00 0.00 H new ATOM 0 HG CYS A 45 7.693 -3.727 95.062 1.00 0.00 H new ATOM 700 N GLY A 46 7.512 -8.808 94.277 1.00 0.00 N ATOM 701 CA GLY A 46 7.073 -10.226 94.101 1.00 0.00 C ATOM 702 C GLY A 46 7.609 -11.075 95.253 1.00 0.00 C ATOM 703 O GLY A 46 7.886 -12.248 95.089 1.00 0.00 O ATOM 0 H GLY A 46 8.515 -8.648 94.188 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.985 -10.279 94.072 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.437 -10.615 93.150 1.00 0.00 H new ATOM 707 N GLN A 47 7.792 -10.496 96.413 1.00 0.00 N ATOM 708 CA GLN A 47 8.352 -11.284 97.547 1.00 0.00 C ATOM 709 C GLN A 47 9.642 -11.944 97.048 1.00 0.00 C ATOM 710 O GLN A 47 10.220 -12.791 97.695 1.00 0.00 O ATOM 711 CB GLN A 47 7.347 -12.352 98.010 1.00 0.00 C ATOM 712 CG GLN A 47 5.916 -11.803 97.930 1.00 0.00 C ATOM 713 CD GLN A 47 5.805 -10.490 98.712 1.00 0.00 C ATOM 714 OE1 GLN A 47 6.618 -10.208 99.569 1.00 0.00 O ATOM 715 NE2 GLN A 47 4.818 -9.673 98.452 1.00 0.00 N ATOM 0 H GLN A 47 7.579 -9.520 96.621 1.00 0.00 H new ATOM 0 HA GLN A 47 8.556 -10.637 98.400 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.438 -13.242 97.387 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.572 -12.654 99.033 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.640 -11.638 96.888 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.216 -12.534 98.333 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.136 -9.910 97.732 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.730 -8.798 98.969 1.00 0.00 H new ATOM 724 N LEU A 48 10.087 -11.517 95.893 1.00 0.00 N ATOM 725 CA LEU A 48 11.337 -12.041 95.276 1.00 0.00 C ATOM 726 C LEU A 48 11.201 -13.514 94.892 1.00 0.00 C ATOM 727 O LEU A 48 12.126 -14.122 94.391 1.00 0.00 O ATOM 728 CB LEU A 48 12.506 -11.866 96.230 1.00 0.00 C ATOM 729 CG LEU A 48 12.828 -10.370 96.450 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.137 -9.476 95.411 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.383 -9.946 97.852 1.00 0.00 C ATOM 0 H LEU A 48 9.617 -10.803 95.337 1.00 0.00 H new ATOM 0 HA LEU A 48 11.520 -11.470 94.366 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.272 -12.335 97.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.384 -12.375 95.831 1.00 0.00 H new ATOM 0 HG LEU A 48 13.905 -10.247 96.340 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.390 -8.433 95.602 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.473 -9.753 94.412 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.057 -9.606 95.480 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.612 -8.891 98.003 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.309 -10.103 97.956 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.911 -10.542 98.597 1.00 0.00 H new ATOM 743 N GLU A 49 10.059 -14.088 95.101 1.00 0.00 N ATOM 744 CA GLU A 49 9.845 -15.507 94.721 1.00 0.00 C ATOM 745 C GLU A 49 9.212 -15.546 93.337 1.00 0.00 C ATOM 746 O GLU A 49 9.472 -16.423 92.533 1.00 0.00 O ATOM 747 CB GLU A 49 8.907 -16.168 95.719 1.00 0.00 C ATOM 748 CG GLU A 49 9.393 -15.899 97.140 1.00 0.00 C ATOM 749 CD GLU A 49 8.560 -16.720 98.128 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.530 -16.227 98.556 1.00 0.00 O ATOM 751 OE2 GLU A 49 8.968 -17.827 98.441 1.00 0.00 O ATOM 0 H GLU A 49 9.252 -13.630 95.525 1.00 0.00 H new ATOM 0 HA GLU A 49 10.797 -16.038 94.718 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.895 -15.783 95.592 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.865 -17.242 95.536 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.447 -16.161 97.231 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.307 -14.837 97.370 1.00 0.00 H new ATOM 758 N ILE A 50 8.364 -14.596 93.071 1.00 0.00 N ATOM 759 CA ILE A 50 7.670 -14.537 91.762 1.00 0.00 C ATOM 760 C ILE A 50 8.655 -14.266 90.625 1.00 0.00 C ATOM 761 O ILE A 50 8.684 -14.988 89.655 1.00 0.00 O ATOM 762 CB ILE A 50 6.611 -13.436 91.819 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.724 -13.675 93.076 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.790 -13.450 90.515 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.230 -13.496 92.779 1.00 0.00 C ATOM 0 H ILE A 50 8.120 -13.846 93.718 1.00 0.00 H new ATOM 0 HA ILE A 50 7.199 -15.500 91.564 1.00 0.00 H new ATOM 0 HB ILE A 50 7.068 -12.450 91.904 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.898 -14.682 93.454 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.021 -12.983 93.864 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.034 -12.666 90.553 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.452 -13.276 89.667 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.303 -14.419 90.402 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.655 -13.674 93.688 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.048 -12.481 92.427 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.924 -14.207 92.011 1.00 0.00 H new ATOM 777 N LEU A 51 9.447 -13.234 90.709 1.00 0.00 N ATOM 778 CA LEU A 51 10.387 -12.953 89.587 1.00 0.00 C ATOM 779 C LEU A 51 11.093 -14.250 89.159 1.00 0.00 C ATOM 780 O LEU A 51 11.093 -14.599 88.001 1.00 0.00 O ATOM 781 CB LEU A 51 11.441 -11.865 89.918 1.00 0.00 C ATOM 782 CG LEU A 51 11.639 -11.607 91.420 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.341 -11.143 92.093 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.172 -12.866 92.094 1.00 0.00 C ATOM 0 H LEU A 51 9.486 -12.582 91.492 1.00 0.00 H new ATOM 0 HA LEU A 51 9.783 -12.560 88.769 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.397 -12.158 89.483 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.145 -10.932 89.438 1.00 0.00 H new ATOM 0 HG LEU A 51 12.366 -10.803 91.532 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.523 -10.971 93.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.001 -10.217 91.629 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.576 -11.910 91.975 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.311 -12.678 93.159 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.460 -13.680 91.959 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.127 -13.142 91.647 1.00 0.00 H new ATOM 796 N GLU A 52 11.691 -14.968 90.071 1.00 0.00 N ATOM 797 CA GLU A 52 12.383 -16.234 89.677 1.00 0.00 C ATOM 798 C GLU A 52 11.411 -17.168 88.952 1.00 0.00 C ATOM 799 O GLU A 52 11.789 -17.896 88.060 1.00 0.00 O ATOM 800 CB GLU A 52 12.896 -16.995 90.916 1.00 0.00 C ATOM 801 CG GLU A 52 13.458 -16.053 91.983 1.00 0.00 C ATOM 802 CD GLU A 52 13.879 -16.886 93.197 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.189 -18.051 93.011 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.880 -16.345 94.291 1.00 0.00 O ATOM 0 H GLU A 52 11.732 -14.738 91.064 1.00 0.00 H new ATOM 0 HA GLU A 52 13.215 -15.954 89.031 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.082 -17.580 91.343 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.670 -17.700 90.612 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.311 -15.501 91.589 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.707 -15.317 92.271 1.00 0.00 H new ATOM 811 N PHE A 53 10.178 -17.194 89.376 1.00 0.00 N ATOM 812 CA PHE A 53 9.182 -18.132 88.779 1.00 0.00 C ATOM 813 C PHE A 53 8.999 -17.933 87.271 1.00 0.00 C ATOM 814 O PHE A 53 9.532 -18.670 86.478 1.00 0.00 O ATOM 815 CB PHE A 53 7.835 -17.931 89.460 1.00 0.00 C ATOM 816 CG PHE A 53 6.815 -18.813 88.786 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.977 -20.202 88.804 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.719 -18.242 88.132 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.040 -21.023 88.172 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.781 -19.060 87.501 1.00 0.00 C ATOM 821 CZ PHE A 53 4.943 -20.455 87.520 1.00 0.00 C ATOM 0 H PHE A 53 9.812 -16.599 90.119 1.00 0.00 H new ATOM 0 HA PHE A 53 9.564 -19.141 88.934 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.907 -18.178 90.519 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.532 -16.886 89.396 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.827 -20.640 89.307 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.599 -17.169 88.115 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.164 -22.096 88.187 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.932 -18.621 86.999 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.219 -21.089 87.030 1.00 0.00 H new ATOM 831 N LEU A 54 8.198 -16.990 86.866 1.00 0.00 N ATOM 832 CA LEU A 54 7.954 -16.820 85.406 1.00 0.00 C ATOM 833 C LEU A 54 9.281 -16.705 84.650 1.00 0.00 C ATOM 834 O LEU A 54 9.315 -16.656 83.437 1.00 0.00 O ATOM 835 CB LEU A 54 7.037 -15.607 85.137 1.00 0.00 C ATOM 836 CG LEU A 54 7.650 -14.250 85.556 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.584 -14.394 86.756 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.410 -13.632 84.377 1.00 0.00 C ATOM 0 H LEU A 54 7.706 -16.335 87.474 1.00 0.00 H new ATOM 0 HA LEU A 54 7.437 -17.705 85.036 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.798 -15.574 84.074 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.097 -15.750 85.670 1.00 0.00 H new ATOM 0 HG LEU A 54 6.830 -13.595 85.849 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.993 -13.418 87.018 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.028 -14.794 87.604 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.398 -15.073 86.504 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.838 -12.677 84.681 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.209 -14.305 84.066 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.724 -13.474 83.545 1.00 0.00 H new ATOM 850 N LEU A 55 10.379 -16.705 85.353 1.00 0.00 N ATOM 851 CA LEU A 55 11.704 -16.637 84.674 1.00 0.00 C ATOM 852 C LEU A 55 12.179 -18.064 84.364 1.00 0.00 C ATOM 853 O LEU A 55 12.774 -18.322 83.337 1.00 0.00 O ATOM 854 CB LEU A 55 12.702 -15.935 85.599 1.00 0.00 C ATOM 855 CG LEU A 55 13.824 -15.282 84.787 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.704 -14.463 85.735 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.678 -16.361 84.110 1.00 0.00 C ATOM 0 H LEU A 55 10.416 -16.749 86.371 1.00 0.00 H new ATOM 0 HA LEU A 55 11.626 -16.076 83.743 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.187 -15.179 86.191 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.125 -16.655 86.300 1.00 0.00 H new ATOM 0 HG LEU A 55 13.392 -14.638 84.021 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.508 -13.992 85.169 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.101 -13.694 86.218 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.130 -15.119 86.494 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.474 -15.887 83.535 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.116 -17.008 84.870 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.053 -16.955 83.444 1.00 0.00 H new ATOM 869 N LEU A 56 11.895 -18.997 85.237 1.00 0.00 N ATOM 870 CA LEU A 56 12.306 -20.412 84.987 1.00 0.00 C ATOM 871 C LEU A 56 11.744 -20.848 83.639 1.00 0.00 C ATOM 872 O LEU A 56 12.433 -21.406 82.809 1.00 0.00 O ATOM 873 CB LEU A 56 11.741 -21.343 86.073 1.00 0.00 C ATOM 874 CG LEU A 56 11.823 -20.690 87.452 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.435 -21.716 88.520 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.252 -20.210 87.705 1.00 0.00 C ATOM 0 H LEU A 56 11.396 -18.840 86.113 1.00 0.00 H new ATOM 0 HA LEU A 56 13.394 -20.472 84.999 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.704 -21.587 85.844 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.296 -22.281 86.077 1.00 0.00 H new ATOM 0 HG LEU A 56 11.142 -19.840 87.495 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.492 -21.254 89.506 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.417 -22.062 88.340 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.119 -22.563 88.476 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.311 -19.744 88.689 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.934 -21.060 87.665 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.532 -19.483 86.942 1.00 0.00 H new ATOM 888 N LYS A 57 10.491 -20.583 83.418 1.00 0.00 N ATOM 889 CA LYS A 57 9.872 -20.964 82.125 1.00 0.00 C ATOM 890 C LYS A 57 10.585 -20.181 81.025 1.00 0.00 C ATOM 891 O LYS A 57 11.736 -20.429 80.727 1.00 0.00 O ATOM 892 CB LYS A 57 8.380 -20.606 82.141 1.00 0.00 C ATOM 893 CG LYS A 57 7.585 -21.733 82.809 1.00 0.00 C ATOM 894 CD LYS A 57 7.936 -21.801 84.297 1.00 0.00 C ATOM 895 CE LYS A 57 6.994 -22.779 85.004 1.00 0.00 C ATOM 896 NZ LYS A 57 5.579 -22.397 84.729 1.00 0.00 N ATOM 0 H LYS A 57 9.868 -20.118 84.078 1.00 0.00 H new ATOM 0 HA LYS A 57 9.966 -22.036 81.952 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.226 -19.671 82.680 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.023 -20.450 81.123 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.516 -21.560 82.685 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.811 -22.685 82.328 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.970 -22.122 84.422 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.852 -20.811 84.746 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.181 -23.795 84.657 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.182 -22.769 86.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.990 -22.628 85.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.526 -21.376 84.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.233 -22.921 83.900 1.00 0.00 H new ATOM 910 N GLY A 58 9.931 -19.217 80.441 1.00 0.00 N ATOM 911 CA GLY A 58 10.603 -18.406 79.394 1.00 0.00 C ATOM 912 C GLY A 58 11.728 -17.622 80.064 1.00 0.00 C ATOM 913 O GLY A 58 12.572 -18.192 80.723 1.00 0.00 O ATOM 0 H GLY A 58 8.965 -18.958 80.643 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.000 -19.049 78.609 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.893 -17.727 78.922 1.00 0.00 H new ATOM 917 N ALA A 59 11.745 -16.323 79.932 1.00 0.00 N ATOM 918 CA ALA A 59 12.820 -15.539 80.600 1.00 0.00 C ATOM 919 C ALA A 59 12.736 -14.063 80.197 1.00 0.00 C ATOM 920 O ALA A 59 13.494 -13.590 79.374 1.00 0.00 O ATOM 921 CB ALA A 59 14.196 -16.111 80.222 1.00 0.00 C ATOM 0 H ALA A 59 11.069 -15.777 79.397 1.00 0.00 H new ATOM 0 HA ALA A 59 12.687 -15.612 81.679 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.978 -15.533 80.714 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.258 -17.151 80.542 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.329 -16.055 79.142 1.00 0.00 H new ATOM 927 N ASP A 60 11.844 -13.321 80.795 1.00 0.00 N ATOM 928 CA ASP A 60 11.750 -11.872 80.473 1.00 0.00 C ATOM 929 C ASP A 60 12.951 -11.192 81.133 1.00 0.00 C ATOM 930 O ASP A 60 13.078 -9.983 81.166 1.00 0.00 O ATOM 931 CB ASP A 60 10.437 -11.318 81.031 1.00 0.00 C ATOM 932 CG ASP A 60 10.377 -9.807 80.817 1.00 0.00 C ATOM 933 OD1 ASP A 60 9.896 -9.396 79.773 1.00 0.00 O ATOM 934 OD2 ASP A 60 10.804 -9.086 81.702 1.00 0.00 O ATOM 0 H ASP A 60 11.178 -13.656 81.491 1.00 0.00 H new ATOM 0 HA ASP A 60 11.760 -11.694 79.398 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.591 -11.798 80.538 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.358 -11.547 82.094 1.00 0.00 H new ATOM 939 N ILE A 61 13.833 -12.002 81.657 1.00 0.00 N ATOM 940 CA ILE A 61 15.060 -11.496 82.334 1.00 0.00 C ATOM 941 C ILE A 61 15.856 -10.632 81.363 1.00 0.00 C ATOM 942 O ILE A 61 16.645 -9.795 81.756 1.00 0.00 O ATOM 943 CB ILE A 61 15.902 -12.710 82.736 1.00 0.00 C ATOM 944 CG1 ILE A 61 17.051 -12.285 83.655 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.474 -13.356 81.471 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.083 -13.415 83.736 1.00 0.00 C ATOM 0 H ILE A 61 13.750 -13.019 81.643 1.00 0.00 H new ATOM 0 HA ILE A 61 14.798 -10.900 83.208 1.00 0.00 H new ATOM 0 HB ILE A 61 15.273 -13.421 83.272 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.519 -11.377 83.274 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.669 -12.054 84.650 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.076 -14.222 81.745 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.657 -13.672 80.823 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.097 -12.634 80.943 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.902 -13.114 84.390 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.610 -14.312 84.136 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.473 -13.624 82.740 1.00 0.00 H new ATOM 958 N ASN A 62 15.656 -10.839 80.094 1.00 0.00 N ATOM 959 CA ASN A 62 16.401 -10.051 79.072 1.00 0.00 C ATOM 960 C ASN A 62 15.481 -9.746 77.885 1.00 0.00 C ATOM 961 O ASN A 62 15.552 -8.695 77.282 1.00 0.00 O ATOM 962 CB ASN A 62 17.613 -10.864 78.596 1.00 0.00 C ATOM 963 CG ASN A 62 17.142 -12.177 77.961 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.042 -12.738 78.385 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.784 -12.701 77.069 1.00 0.00 N flip ATOM 0 H ASN A 62 15.003 -11.526 79.716 1.00 0.00 H new ATOM 0 HA ASN A 62 16.741 -9.112 79.508 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.189 -10.286 77.873 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.275 -11.073 79.437 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.644 -12.265 76.736 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.462 -13.576 76.655 1.00 0.00 H new ATOM 972 N ALA A 63 14.618 -10.668 77.567 1.00 0.00 N ATOM 973 CA ALA A 63 13.651 -10.508 76.423 1.00 0.00 C ATOM 974 C ALA A 63 13.367 -9.039 76.034 1.00 0.00 C ATOM 975 O ALA A 63 13.474 -8.704 74.874 1.00 0.00 O ATOM 976 CB ALA A 63 12.343 -11.191 76.795 1.00 0.00 C ATOM 0 H ALA A 63 14.533 -11.556 78.062 1.00 0.00 H new ATOM 0 HA ALA A 63 14.117 -10.966 75.550 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.631 -11.084 75.976 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.525 -12.249 76.982 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.934 -10.729 77.694 1.00 0.00 H new ATOM 982 N PRO A 64 13.011 -8.206 76.990 1.00 0.00 N ATOM 983 CA PRO A 64 12.703 -6.791 76.759 1.00 0.00 C ATOM 984 C PRO A 64 13.156 -6.270 75.394 1.00 0.00 C ATOM 985 O PRO A 64 14.285 -6.430 74.973 1.00 0.00 O ATOM 986 CB PRO A 64 13.411 -6.141 77.944 1.00 0.00 C ATOM 987 CG PRO A 64 13.394 -7.224 79.073 1.00 0.00 C ATOM 988 CD PRO A 64 12.916 -8.538 78.414 1.00 0.00 C ATOM 0 HA PRO A 64 11.636 -6.573 76.713 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.431 -5.856 77.686 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.897 -5.233 78.261 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.386 -7.347 79.508 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.725 -6.930 79.882 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.550 -9.384 78.681 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.899 -8.797 78.707 1.00 0.00 H new ATOM 996 N ASP A 65 12.225 -5.649 74.708 1.00 0.00 N ATOM 997 CA ASP A 65 12.473 -5.082 73.352 1.00 0.00 C ATOM 998 C ASP A 65 11.865 -3.675 73.304 1.00 0.00 C ATOM 999 O ASP A 65 12.519 -2.714 72.941 1.00 0.00 O ATOM 1000 CB ASP A 65 11.785 -5.966 72.309 1.00 0.00 C ATOM 1001 CG ASP A 65 12.547 -7.282 72.170 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.623 -7.383 72.738 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.044 -8.168 71.501 1.00 0.00 O ATOM 0 H ASP A 65 11.273 -5.510 75.048 1.00 0.00 H new ATOM 0 HA ASP A 65 13.542 -5.039 73.144 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.754 -6.161 72.605 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.749 -5.452 71.349 1.00 0.00 H new ATOM 1008 N LYS A 66 10.619 -3.546 73.685 1.00 0.00 N ATOM 1009 CA LYS A 66 9.962 -2.220 73.689 1.00 0.00 C ATOM 1010 C LYS A 66 10.282 -1.534 75.016 1.00 0.00 C ATOM 1011 O LYS A 66 10.327 -0.324 75.116 1.00 0.00 O ATOM 1012 CB LYS A 66 8.457 -2.424 73.547 1.00 0.00 C ATOM 1013 CG LYS A 66 7.821 -1.137 73.034 1.00 0.00 C ATOM 1014 CD LYS A 66 7.841 -1.116 71.502 1.00 0.00 C ATOM 1015 CE LYS A 66 7.646 0.318 71.006 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.430 0.907 71.638 1.00 0.00 N ATOM 0 H LYS A 66 10.029 -4.317 73.996 1.00 0.00 H new ATOM 0 HA LYS A 66 10.317 -1.601 72.865 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.253 -3.244 72.858 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.023 -2.700 74.508 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.795 -1.061 73.393 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.361 -0.274 73.425 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.788 -1.513 71.135 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.053 -1.758 71.109 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.522 0.920 71.249 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.544 0.327 69.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.133 1.748 71.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.662 0.205 71.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.645 1.179 72.619 1.00 0.00 H new ATOM 1030 N HIS A 67 10.533 -2.316 76.027 1.00 0.00 N ATOM 1031 CA HIS A 67 10.888 -1.753 77.353 1.00 0.00 C ATOM 1032 C HIS A 67 12.374 -1.410 77.332 1.00 0.00 C ATOM 1033 O HIS A 67 12.898 -0.771 78.223 1.00 0.00 O ATOM 1034 CB HIS A 67 10.620 -2.807 78.430 1.00 0.00 C ATOM 1035 CG HIS A 67 9.457 -3.665 78.018 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.331 -4.642 77.064 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 8.217 -3.568 78.628 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 8.035 -5.147 77.078 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 7.405 -4.465 78.038 1.00 0.00 N flip ATOM 0 H HIS A 67 10.506 -3.335 75.988 1.00 0.00 H new ATOM 0 HA HIS A 67 10.297 -0.863 77.568 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.506 -3.424 78.577 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.408 -2.322 79.383 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.951 -2.896 79.430 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.626 -5.923 76.448 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.428 -4.607 78.293 1.00 0.00 H new ATOM 1047 N HIS A 68 13.049 -1.838 76.299 1.00 0.00 N ATOM 1048 CA HIS A 68 14.506 -1.562 76.162 1.00 0.00 C ATOM 1049 C HIS A 68 15.206 -1.646 77.510 1.00 0.00 C ATOM 1050 O HIS A 68 16.095 -0.869 77.792 1.00 0.00 O ATOM 1051 CB HIS A 68 14.703 -0.158 75.597 1.00 0.00 C ATOM 1052 CG HIS A 68 13.953 0.834 76.445 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.448 1.299 77.654 1.00 0.00 N ATOM 1054 CD2 HIS A 68 12.742 1.454 76.272 1.00 0.00 C ATOM 1055 CE1 HIS A 68 13.545 2.160 78.157 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.485 2.291 77.353 1.00 0.00 N ATOM 0 H HIS A 68 12.644 -2.376 75.533 1.00 0.00 H new ATOM 0 HA HIS A 68 14.934 -2.309 75.494 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.764 0.092 75.578 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.347 -0.115 74.568 1.00 0.00 H new ATOM 0 HD1 HIS A 68 15.335 1.036 78.084 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.087 1.314 75.425 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.662 2.682 79.095 1.00 0.00 H new ATOM 1064 N ILE A 69 14.854 -2.582 78.349 1.00 0.00 N ATOM 1065 CA ILE A 69 15.570 -2.652 79.645 1.00 0.00 C ATOM 1066 C ILE A 69 15.585 -4.056 80.207 1.00 0.00 C ATOM 1067 O ILE A 69 14.772 -4.910 79.909 1.00 0.00 O ATOM 1068 CB ILE A 69 14.948 -1.689 80.670 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.031 -0.723 81.176 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.362 -2.468 81.862 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.163 -1.489 81.884 1.00 0.00 C ATOM 0 H ILE A 69 14.125 -3.279 78.198 1.00 0.00 H new ATOM 0 HA ILE A 69 16.600 -2.353 79.453 1.00 0.00 H new ATOM 0 HB ILE A 69 14.144 -1.133 80.188 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.438 -0.156 80.339 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.589 -0.002 81.864 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.927 -1.768 82.575 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.590 -3.151 81.506 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.154 -3.037 82.349 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.917 -0.783 82.233 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.756 -2.035 82.735 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.619 -2.191 81.186 1.00 0.00 H new ATOM 1083 N THR A 70 16.528 -4.239 81.060 1.00 0.00 N ATOM 1084 CA THR A 70 16.733 -5.500 81.772 1.00 0.00 C ATOM 1085 C THR A 70 16.188 -5.217 83.186 1.00 0.00 C ATOM 1086 O THR A 70 16.753 -4.421 83.894 1.00 0.00 O ATOM 1087 CB THR A 70 18.241 -5.737 81.744 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.818 -5.276 82.949 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.841 -4.942 80.567 1.00 0.00 C ATOM 0 H THR A 70 17.205 -3.517 81.305 1.00 0.00 H new ATOM 0 HA THR A 70 16.243 -6.384 81.363 1.00 0.00 H new ATOM 0 HB THR A 70 18.444 -6.802 81.629 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.794 -5.342 82.891 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.919 -5.101 80.533 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.394 -5.282 79.633 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.635 -3.880 80.702 1.00 0.00 H new ATOM 1097 N PRO A 71 15.046 -5.784 83.510 1.00 0.00 N ATOM 1098 CA PRO A 71 14.359 -5.481 84.785 1.00 0.00 C ATOM 1099 C PRO A 71 15.227 -5.764 86.006 1.00 0.00 C ATOM 1100 O PRO A 71 14.891 -5.364 87.099 1.00 0.00 O ATOM 1101 CB PRO A 71 13.093 -6.352 84.758 1.00 0.00 C ATOM 1102 CG PRO A 71 12.966 -6.907 83.319 1.00 0.00 C ATOM 1103 CD PRO A 71 14.343 -6.757 82.660 1.00 0.00 C ATOM 0 HA PRO A 71 14.126 -4.420 84.872 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.167 -7.164 85.481 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.214 -5.766 85.026 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.657 -7.952 83.334 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.208 -6.359 82.759 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.872 -7.709 82.623 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.257 -6.400 81.634 1.00 0.00 H new ATOM 1111 N LEU A 72 16.354 -6.391 85.855 1.00 0.00 N ATOM 1112 CA LEU A 72 17.204 -6.590 87.050 1.00 0.00 C ATOM 1113 C LEU A 72 17.430 -5.198 87.635 1.00 0.00 C ATOM 1114 O LEU A 72 17.507 -5.011 88.827 1.00 0.00 O ATOM 1115 CB LEU A 72 18.548 -7.240 86.671 1.00 0.00 C ATOM 1116 CG LEU A 72 18.402 -8.136 85.427 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.105 -8.946 85.498 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.396 -7.283 84.158 1.00 0.00 C ATOM 0 H LEU A 72 16.716 -6.766 84.978 1.00 0.00 H new ATOM 0 HA LEU A 72 16.727 -7.258 87.767 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.289 -6.464 86.479 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.917 -7.833 87.508 1.00 0.00 H new ATOM 0 HG LEU A 72 19.250 -8.820 85.400 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.019 -9.573 84.611 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.117 -9.576 86.388 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.254 -8.267 85.546 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.292 -7.929 83.286 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.560 -6.584 84.193 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.331 -6.727 84.089 1.00 0.00 H new ATOM 1130 N LEU A 73 17.477 -4.210 86.771 1.00 0.00 N ATOM 1131 CA LEU A 73 17.635 -2.805 87.224 1.00 0.00 C ATOM 1132 C LEU A 73 16.328 -2.377 87.890 1.00 0.00 C ATOM 1133 O LEU A 73 16.285 -1.471 88.694 1.00 0.00 O ATOM 1134 CB LEU A 73 17.897 -1.891 86.020 1.00 0.00 C ATOM 1135 CG LEU A 73 19.316 -2.108 85.470 1.00 0.00 C ATOM 1136 CD1 LEU A 73 19.305 -3.241 84.445 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.797 -0.821 84.795 1.00 0.00 C ATOM 0 H LEU A 73 17.411 -4.327 85.760 1.00 0.00 H new ATOM 0 HA LEU A 73 18.473 -2.730 87.917 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.164 -2.092 85.238 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.771 -0.849 86.314 1.00 0.00 H new ATOM 0 HG LEU A 73 19.986 -2.369 86.289 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.313 -3.391 84.058 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.958 -4.159 84.921 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.636 -2.983 83.624 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.803 -0.970 84.403 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.123 -0.565 83.977 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.808 -0.010 85.523 1.00 0.00 H new ATOM 1149 N SER A 74 15.252 -3.031 87.552 1.00 0.00 N ATOM 1150 CA SER A 74 13.949 -2.670 88.165 1.00 0.00 C ATOM 1151 C SER A 74 14.036 -2.838 89.686 1.00 0.00 C ATOM 1152 O SER A 74 13.633 -1.976 90.449 1.00 0.00 O ATOM 1153 CB SER A 74 12.844 -3.565 87.597 1.00 0.00 C ATOM 1154 OG SER A 74 11.575 -3.031 87.950 1.00 0.00 O ATOM 0 H SER A 74 15.221 -3.797 86.880 1.00 0.00 H new ATOM 0 HA SER A 74 13.713 -1.631 87.934 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.935 -3.630 86.513 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.945 -4.578 87.986 1.00 0.00 H new ATOM 0 HG SER A 74 11.143 -3.619 88.604 1.00 0.00 H new ATOM 1160 N ALA A 75 14.568 -3.940 90.134 1.00 0.00 N ATOM 1161 CA ALA A 75 14.686 -4.163 91.608 1.00 0.00 C ATOM 1162 C ALA A 75 15.747 -3.222 92.187 1.00 0.00 C ATOM 1163 O ALA A 75 15.643 -2.765 93.309 1.00 0.00 O ATOM 1164 CB ALA A 75 15.076 -5.616 91.873 1.00 0.00 C ATOM 0 H ALA A 75 14.926 -4.695 89.549 1.00 0.00 H new ATOM 0 HA ALA A 75 13.729 -3.956 92.086 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.162 -5.779 92.947 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.312 -6.278 91.465 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.033 -5.829 91.396 1.00 0.00 H new ATOM 1170 N VAL A 76 16.764 -2.930 91.425 1.00 0.00 N ATOM 1171 CA VAL A 76 17.840 -2.024 91.910 1.00 0.00 C ATOM 1172 C VAL A 76 17.214 -0.815 92.632 1.00 0.00 C ATOM 1173 O VAL A 76 17.369 -0.653 93.826 1.00 0.00 O ATOM 1174 CB VAL A 76 18.680 -1.597 90.694 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.605 -0.429 91.047 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.523 -2.801 90.240 1.00 0.00 C ATOM 0 H VAL A 76 16.896 -3.284 90.478 1.00 0.00 H new ATOM 0 HA VAL A 76 18.487 -2.527 92.629 1.00 0.00 H new ATOM 0 HB VAL A 76 18.014 -1.270 89.896 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.187 -0.148 90.169 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.008 0.422 91.374 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.280 -0.729 91.849 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.126 -2.518 89.378 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.177 -3.115 91.054 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.863 -3.625 89.967 1.00 0.00 H new ATOM 1186 N TYR A 77 16.499 0.022 91.930 1.00 0.00 N ATOM 1187 CA TYR A 77 15.856 1.196 92.593 1.00 0.00 C ATOM 1188 C TYR A 77 14.624 0.724 93.371 1.00 0.00 C ATOM 1189 O TYR A 77 13.564 1.311 93.283 1.00 0.00 O ATOM 1190 CB TYR A 77 15.423 2.208 91.525 1.00 0.00 C ATOM 1191 CG TYR A 77 16.287 2.048 90.295 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.524 2.699 90.216 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.847 1.253 89.228 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.319 2.554 89.073 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.643 1.110 88.086 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.878 1.761 88.008 1.00 0.00 C ATOM 1197 OH TYR A 77 18.663 1.617 86.882 1.00 0.00 O ATOM 0 H TYR A 77 16.332 -0.055 90.927 1.00 0.00 H new ATOM 0 HA TYR A 77 16.565 1.665 93.276 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.375 2.055 91.268 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.511 3.222 91.914 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.865 3.313 91.037 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.893 0.750 89.287 1.00 0.00 H new ATOM 0 HE1 TYR A 77 19.274 3.055 89.013 1.00 0.00 H new ATOM 0 HE2 TYR A 77 16.303 0.497 87.265 1.00 0.00 H new ATOM 0 HH TYR A 77 18.096 1.635 86.083 1.00 0.00 H new ATOM 1207 N GLU A 78 14.746 -0.337 94.122 1.00 0.00 N ATOM 1208 CA GLU A 78 13.570 -0.845 94.890 1.00 0.00 C ATOM 1209 C GLU A 78 13.964 -1.118 96.339 1.00 0.00 C ATOM 1210 O GLU A 78 13.121 -1.230 97.205 1.00 0.00 O ATOM 1211 CB GLU A 78 13.081 -2.151 94.256 1.00 0.00 C ATOM 1212 CG GLU A 78 11.623 -2.396 94.648 1.00 0.00 C ATOM 1213 CD GLU A 78 10.722 -1.509 93.792 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.996 -1.392 92.609 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.778 -0.956 94.331 1.00 0.00 O ATOM 0 H GLU A 78 15.606 -0.873 94.238 1.00 0.00 H new ATOM 0 HA GLU A 78 12.781 -0.094 94.867 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.173 -2.097 93.171 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.702 -2.983 94.587 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.366 -3.445 94.503 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.475 -2.174 95.705 1.00 0.00 H new ATOM 1222 N GLY A 79 15.230 -1.257 96.614 1.00 0.00 N ATOM 1223 CA GLY A 79 15.646 -1.562 98.010 1.00 0.00 C ATOM 1224 C GLY A 79 15.438 -3.056 98.241 1.00 0.00 C ATOM 1225 O GLY A 79 15.798 -3.600 99.267 1.00 0.00 O ATOM 0 H GLY A 79 15.990 -1.173 95.938 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.691 -1.293 98.165 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.058 -0.980 98.720 1.00 0.00 H new ATOM 1229 N HIS A 80 14.870 -3.728 97.273 1.00 0.00 N ATOM 1230 CA HIS A 80 14.646 -5.188 97.409 1.00 0.00 C ATOM 1231 C HIS A 80 15.967 -5.884 97.111 1.00 0.00 C ATOM 1232 O HIS A 80 16.543 -6.529 97.961 1.00 0.00 O ATOM 1233 CB HIS A 80 13.591 -5.641 96.387 1.00 0.00 C ATOM 1234 CG HIS A 80 12.212 -5.538 96.983 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.351 -6.627 97.060 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.521 -4.481 97.517 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.206 -6.201 97.615 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.253 -4.901 97.914 1.00 0.00 N ATOM 0 H HIS A 80 14.552 -3.322 96.393 1.00 0.00 H new ATOM 0 HA HIS A 80 14.296 -5.433 98.412 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.655 -5.025 95.490 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.787 -6.669 96.082 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.902 -3.475 97.615 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.350 -6.834 97.798 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.519 -4.336 98.341 1.00 0.00 H new ATOM 1246 N VAL A 81 16.439 -5.735 95.903 1.00 0.00 N ATOM 1247 CA VAL A 81 17.723 -6.361 95.490 1.00 0.00 C ATOM 1248 C VAL A 81 17.903 -7.727 96.150 1.00 0.00 C ATOM 1249 O VAL A 81 18.971 -8.315 96.130 1.00 0.00 O ATOM 1250 CB VAL A 81 18.886 -5.407 95.794 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.029 -4.428 94.620 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.589 -4.615 97.077 1.00 0.00 C ATOM 0 H VAL A 81 15.977 -5.194 95.172 1.00 0.00 H new ATOM 0 HA VAL A 81 17.709 -6.537 94.414 1.00 0.00 H new ATOM 0 HB VAL A 81 19.805 -5.976 95.931 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.852 -3.741 94.818 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.233 -4.984 93.705 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.104 -3.863 94.503 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.418 -3.939 97.288 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.675 -4.037 96.944 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.463 -5.306 97.910 1.00 0.00 H new ATOM 1262 N SER A 82 16.838 -8.275 96.663 1.00 0.00 N ATOM 1263 CA SER A 82 16.902 -9.638 97.237 1.00 0.00 C ATOM 1264 C SER A 82 16.781 -10.577 96.041 1.00 0.00 C ATOM 1265 O SER A 82 17.184 -11.726 96.061 1.00 0.00 O ATOM 1266 CB SER A 82 15.736 -9.855 98.213 1.00 0.00 C ATOM 1267 OG SER A 82 16.206 -9.724 99.549 1.00 0.00 O ATOM 0 H SER A 82 15.921 -7.830 96.708 1.00 0.00 H new ATOM 0 HA SER A 82 17.822 -9.809 97.797 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.947 -9.128 98.021 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.302 -10.844 98.064 1.00 0.00 H new ATOM 0 HG SER A 82 15.462 -9.861 100.172 1.00 0.00 H new ATOM 1273 N CYS A 83 16.224 -10.042 94.985 1.00 0.00 N ATOM 1274 CA CYS A 83 16.037 -10.805 93.721 1.00 0.00 C ATOM 1275 C CYS A 83 17.335 -10.759 92.913 1.00 0.00 C ATOM 1276 O CYS A 83 17.890 -11.780 92.567 1.00 0.00 O ATOM 1277 CB CYS A 83 14.908 -10.149 92.915 1.00 0.00 C ATOM 1278 SG CYS A 83 14.728 -8.418 93.425 1.00 0.00 S ATOM 0 H CYS A 83 15.883 -9.081 94.949 1.00 0.00 H new ATOM 0 HA CYS A 83 15.782 -11.842 93.939 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.128 -10.204 91.849 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.973 -10.686 93.075 1.00 0.00 H new ATOM 0 HG CYS A 83 13.646 -7.922 92.902 1.00 0.00 H new ATOM 1284 N VAL A 84 17.829 -9.580 92.617 1.00 0.00 N ATOM 1285 CA VAL A 84 19.103 -9.475 91.838 1.00 0.00 C ATOM 1286 C VAL A 84 20.049 -10.587 92.283 1.00 0.00 C ATOM 1287 O VAL A 84 20.687 -11.237 91.485 1.00 0.00 O ATOM 1288 CB VAL A 84 19.777 -8.134 92.121 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.897 -6.989 91.620 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.000 -7.984 93.623 1.00 0.00 C ATOM 0 H VAL A 84 17.407 -8.690 92.880 1.00 0.00 H new ATOM 0 HA VAL A 84 18.879 -9.560 90.775 1.00 0.00 H new ATOM 0 HB VAL A 84 20.735 -8.100 91.602 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.386 -6.037 91.826 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.742 -7.092 90.546 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.934 -7.020 92.130 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.481 -7.027 93.826 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.041 -8.024 94.139 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.638 -8.793 93.979 1.00 0.00 H new ATOM 1300 N LYS A 85 20.142 -10.795 93.566 1.00 0.00 N ATOM 1301 CA LYS A 85 21.047 -11.846 94.096 1.00 0.00 C ATOM 1302 C LYS A 85 20.820 -13.180 93.354 1.00 0.00 C ATOM 1303 O LYS A 85 21.615 -13.584 92.523 1.00 0.00 O ATOM 1304 CB LYS A 85 20.759 -12.017 95.600 1.00 0.00 C ATOM 1305 CG LYS A 85 22.043 -11.823 96.418 1.00 0.00 C ATOM 1306 CD LYS A 85 22.362 -10.330 96.542 1.00 0.00 C ATOM 1307 CE LYS A 85 23.741 -10.150 97.180 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.904 -11.126 98.295 1.00 0.00 N ATOM 0 H LYS A 85 19.624 -10.276 94.275 1.00 0.00 H new ATOM 0 HA LYS A 85 22.085 -11.552 93.944 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.006 -11.295 95.917 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.348 -13.009 95.787 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.923 -12.262 97.409 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.872 -12.342 95.938 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.341 -9.861 95.558 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.603 -9.835 97.147 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.521 -10.300 96.434 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.850 -9.132 97.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.681 -10.819 98.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.022 -11.176 98.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.122 -12.065 97.905 1.00 0.00 H new ATOM 1322 N LEU A 86 19.756 -13.876 93.662 1.00 0.00 N ATOM 1323 CA LEU A 86 19.501 -15.191 92.988 1.00 0.00 C ATOM 1324 C LEU A 86 19.233 -14.989 91.490 1.00 0.00 C ATOM 1325 O LEU A 86 19.081 -15.933 90.743 1.00 0.00 O ATOM 1326 CB LEU A 86 18.355 -15.936 93.715 1.00 0.00 C ATOM 1327 CG LEU A 86 16.981 -15.750 93.047 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.682 -14.270 92.786 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.904 -16.541 91.732 1.00 0.00 C ATOM 0 H LEU A 86 19.054 -13.595 94.347 1.00 0.00 H new ATOM 0 HA LEU A 86 20.389 -15.820 93.056 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.591 -17.000 93.753 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.300 -15.584 94.745 1.00 0.00 H new ATOM 0 HG LEU A 86 16.228 -16.134 93.735 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.704 -14.174 92.314 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.683 -13.726 93.731 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.445 -13.855 92.128 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.924 -16.395 91.277 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.677 -16.189 91.050 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.055 -17.601 91.936 1.00 0.00 H new ATOM 1341 N LEU A 87 19.187 -13.766 91.034 1.00 0.00 N ATOM 1342 CA LEU A 87 18.923 -13.522 89.583 1.00 0.00 C ATOM 1343 C LEU A 87 20.166 -13.825 88.733 1.00 0.00 C ATOM 1344 O LEU A 87 20.154 -14.754 87.949 1.00 0.00 O ATOM 1345 CB LEU A 87 18.499 -12.063 89.383 1.00 0.00 C ATOM 1346 CG LEU A 87 17.133 -12.008 88.696 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.565 -10.593 88.795 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.285 -12.396 87.222 1.00 0.00 C ATOM 0 H LEU A 87 19.320 -12.927 91.599 1.00 0.00 H new ATOM 0 HA LEU A 87 18.124 -14.189 89.260 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.453 -11.553 90.345 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.241 -11.539 88.780 1.00 0.00 H new ATOM 0 HG LEU A 87 16.454 -12.705 89.187 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.592 -10.556 88.305 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.454 -10.318 89.844 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.244 -9.894 88.307 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.312 -12.357 86.733 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.966 -11.701 86.731 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.686 -13.407 87.151 1.00 0.00 H new ATOM 1360 N LEU A 88 21.234 -13.057 88.837 1.00 0.00 N ATOM 1361 CA LEU A 88 22.408 -13.374 87.970 1.00 0.00 C ATOM 1362 C LEU A 88 22.768 -14.840 88.147 1.00 0.00 C ATOM 1363 O LEU A 88 23.502 -15.411 87.365 1.00 0.00 O ATOM 1364 CB LEU A 88 23.626 -12.466 88.238 1.00 0.00 C ATOM 1365 CG LEU A 88 24.303 -12.759 89.585 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.260 -12.815 90.694 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.077 -14.088 89.522 1.00 0.00 C ATOM 0 H LEU A 88 21.337 -12.257 89.461 1.00 0.00 H new ATOM 0 HA LEU A 88 22.123 -13.180 86.936 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.353 -12.595 87.436 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.308 -11.424 88.216 1.00 0.00 H new ATOM 0 HG LEU A 88 25.008 -11.956 89.800 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.751 -13.023 91.645 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.742 -11.858 90.755 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.540 -13.604 90.477 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.550 -14.279 90.485 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.388 -14.900 89.289 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.842 -14.027 88.748 1.00 0.00 H new ATOM 1379 N SER A 89 22.221 -15.471 89.144 1.00 0.00 N ATOM 1380 CA SER A 89 22.496 -16.917 89.326 1.00 0.00 C ATOM 1381 C SER A 89 22.072 -17.622 88.034 1.00 0.00 C ATOM 1382 O SER A 89 22.482 -18.728 87.739 1.00 0.00 O ATOM 1383 CB SER A 89 21.680 -17.452 90.504 1.00 0.00 C ATOM 1384 OG SER A 89 22.317 -18.607 91.033 1.00 0.00 O ATOM 0 H SER A 89 21.600 -15.051 89.836 1.00 0.00 H new ATOM 0 HA SER A 89 23.552 -17.092 89.534 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.590 -16.687 91.275 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.669 -17.697 90.179 1.00 0.00 H new ATOM 0 HG SER A 89 21.796 -18.950 91.789 1.00 0.00 H new ATOM 1390 N LYS A 90 21.260 -16.955 87.250 1.00 0.00 N ATOM 1391 CA LYS A 90 20.798 -17.525 85.954 1.00 0.00 C ATOM 1392 C LYS A 90 21.526 -16.794 84.825 1.00 0.00 C ATOM 1393 O LYS A 90 21.573 -17.246 83.697 1.00 0.00 O ATOM 1394 CB LYS A 90 19.289 -17.295 85.806 1.00 0.00 C ATOM 1395 CG LYS A 90 18.526 -18.242 86.733 1.00 0.00 C ATOM 1396 CD LYS A 90 17.035 -17.862 86.753 1.00 0.00 C ATOM 1397 CE LYS A 90 16.730 -17.039 88.008 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.956 -17.876 89.223 1.00 0.00 N ATOM 0 H LYS A 90 20.895 -16.026 87.460 1.00 0.00 H new ATOM 0 HA LYS A 90 21.007 -18.594 85.916 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.044 -16.260 86.047 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.986 -17.462 84.772 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.644 -19.271 86.394 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.938 -18.189 87.741 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.784 -17.289 85.860 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.420 -18.762 86.738 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.367 -16.155 88.039 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.699 -16.688 87.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.148 -17.774 89.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.052 -18.873 88.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.825 -17.565 89.702 1.00 0.00 H new ATOM 1412 N GLY A 91 22.096 -15.659 85.135 1.00 0.00 N ATOM 1413 CA GLY A 91 22.830 -14.863 84.110 1.00 0.00 C ATOM 1414 C GLY A 91 22.420 -13.393 84.221 1.00 0.00 C ATOM 1415 O GLY A 91 23.058 -12.607 84.896 1.00 0.00 O ATOM 0 H GLY A 91 22.083 -15.245 86.067 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.905 -14.964 84.256 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.607 -15.240 83.112 1.00 0.00 H new ATOM 1419 N ALA A 92 21.348 -13.023 83.574 1.00 0.00 N ATOM 1420 CA ALA A 92 20.865 -11.612 83.639 1.00 0.00 C ATOM 1421 C ALA A 92 21.992 -10.625 83.326 1.00 0.00 C ATOM 1422 O ALA A 92 21.774 -9.430 83.326 1.00 0.00 O ATOM 1423 CB ALA A 92 20.327 -11.330 85.049 1.00 0.00 C ATOM 0 H ALA A 92 20.780 -13.644 82.997 1.00 0.00 H new ATOM 0 HA ALA A 92 20.078 -11.483 82.896 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.972 -10.301 85.104 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.503 -12.010 85.267 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.123 -11.479 85.779 1.00 0.00 H new ATOM 1429 N ASP A 93 23.185 -11.089 83.062 1.00 0.00 N ATOM 1430 CA ASP A 93 24.294 -10.134 82.763 1.00 0.00 C ATOM 1431 C ASP A 93 24.119 -8.888 83.636 1.00 0.00 C ATOM 1432 O ASP A 93 23.916 -8.985 84.831 1.00 0.00 O ATOM 1433 CB ASP A 93 24.245 -9.739 81.283 1.00 0.00 C ATOM 1434 CG ASP A 93 25.586 -9.128 80.867 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.537 -9.878 80.719 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.637 -7.921 80.700 1.00 0.00 O ATOM 0 H ASP A 93 23.439 -12.077 83.040 1.00 0.00 H new ATOM 0 HA ASP A 93 25.256 -10.602 82.975 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.027 -10.614 80.670 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.440 -9.023 81.114 1.00 0.00 H new ATOM 1441 N LYS A 94 24.187 -7.722 83.061 1.00 0.00 N ATOM 1442 CA LYS A 94 24.008 -6.497 83.884 1.00 0.00 C ATOM 1443 C LYS A 94 23.770 -5.289 82.976 1.00 0.00 C ATOM 1444 O LYS A 94 22.938 -4.450 83.252 1.00 0.00 O ATOM 1445 CB LYS A 94 25.251 -6.277 84.746 1.00 0.00 C ATOM 1446 CG LYS A 94 25.058 -5.044 85.628 1.00 0.00 C ATOM 1447 CD LYS A 94 23.938 -5.295 86.661 1.00 0.00 C ATOM 1448 CE LYS A 94 22.630 -4.617 86.213 1.00 0.00 C ATOM 1449 NZ LYS A 94 22.000 -3.934 87.374 1.00 0.00 N ATOM 0 H LYS A 94 24.357 -7.565 82.068 1.00 0.00 H new ATOM 0 HA LYS A 94 23.141 -6.619 84.534 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.434 -7.154 85.367 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.127 -6.147 84.111 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.990 -4.806 86.142 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.806 -4.182 85.010 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.777 -6.367 86.779 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.240 -4.909 87.635 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.835 -3.896 85.421 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.947 -5.359 85.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.965 -3.955 87.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.270 -4.422 88.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.324 -2.946 87.413 1.00 0.00 H new ATOM 1463 N THR A 95 24.489 -5.192 81.893 1.00 0.00 N ATOM 1464 CA THR A 95 24.296 -4.035 80.970 1.00 0.00 C ATOM 1465 C THR A 95 23.918 -4.564 79.592 1.00 0.00 C ATOM 1466 O THR A 95 24.455 -4.148 78.585 1.00 0.00 O ATOM 1467 CB THR A 95 25.592 -3.226 80.872 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.695 -4.110 80.737 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.761 -2.383 82.135 1.00 0.00 C ATOM 0 H THR A 95 25.202 -5.862 81.606 1.00 0.00 H new ATOM 0 HA THR A 95 23.505 -3.389 81.351 1.00 0.00 H new ATOM 0 HB THR A 95 25.547 -2.571 80.002 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.524 -3.591 80.673 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.683 -1.806 82.067 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.915 -1.703 82.235 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.806 -3.037 83.006 1.00 0.00 H new ATOM 1477 N VAL A 96 23.000 -5.488 79.542 1.00 0.00 N ATOM 1478 CA VAL A 96 22.587 -6.058 78.238 1.00 0.00 C ATOM 1479 C VAL A 96 21.593 -5.113 77.552 1.00 0.00 C ATOM 1480 O VAL A 96 21.312 -5.250 76.377 1.00 0.00 O ATOM 1481 CB VAL A 96 21.953 -7.437 78.483 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.891 -7.741 77.423 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.045 -8.510 78.421 1.00 0.00 C ATOM 0 H VAL A 96 22.518 -5.872 80.355 1.00 0.00 H new ATOM 0 HA VAL A 96 23.451 -6.173 77.584 1.00 0.00 H new ATOM 0 HB VAL A 96 21.479 -7.435 79.464 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.455 -8.721 77.615 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.109 -6.982 77.463 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.351 -7.736 76.435 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.602 -9.491 78.594 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.516 -8.493 77.438 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.795 -8.311 79.187 1.00 0.00 H new ATOM 1493 N LYS A 97 21.067 -4.142 78.261 1.00 0.00 N ATOM 1494 CA LYS A 97 20.112 -3.201 77.601 1.00 0.00 C ATOM 1495 C LYS A 97 19.903 -1.909 78.420 1.00 0.00 C ATOM 1496 O LYS A 97 19.152 -1.047 78.014 1.00 0.00 O ATOM 1497 CB LYS A 97 18.771 -3.909 77.376 1.00 0.00 C ATOM 1498 CG LYS A 97 18.354 -3.743 75.911 1.00 0.00 C ATOM 1499 CD LYS A 97 17.088 -4.555 75.638 1.00 0.00 C ATOM 1500 CE LYS A 97 16.780 -4.547 74.137 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.961 -3.171 73.593 1.00 0.00 N ATOM 0 H LYS A 97 21.253 -3.964 79.248 1.00 0.00 H new ATOM 0 HA LYS A 97 20.542 -2.906 76.644 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.858 -4.967 77.624 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.010 -3.489 78.033 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.176 -2.690 75.691 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.158 -4.075 75.255 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.220 -5.579 75.986 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.249 -4.135 76.193 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.438 -5.243 73.617 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.758 -4.885 73.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.377 -3.055 72.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.671 -2.474 74.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.961 -3.022 73.351 1.00 0.00 H new ATOM 1515 N GLY A 98 20.568 -1.729 79.538 1.00 0.00 N ATOM 1516 CA GLY A 98 20.386 -0.451 80.291 1.00 0.00 C ATOM 1517 C GLY A 98 21.051 0.645 79.466 1.00 0.00 C ATOM 1518 O GLY A 98 21.683 0.348 78.472 1.00 0.00 O ATOM 0 H GLY A 98 21.216 -2.398 79.953 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.327 -0.236 80.438 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.838 -0.518 81.281 1.00 0.00 H new ATOM 1522 N PRO A 99 20.926 1.873 79.884 1.00 0.00 N ATOM 1523 CA PRO A 99 21.558 2.979 79.157 1.00 0.00 C ATOM 1524 C PRO A 99 23.023 2.643 78.945 1.00 0.00 C ATOM 1525 O PRO A 99 23.440 2.272 77.866 1.00 0.00 O ATOM 1526 CB PRO A 99 21.391 4.199 80.074 1.00 0.00 C ATOM 1527 CG PRO A 99 20.628 3.722 81.338 1.00 0.00 C ATOM 1528 CD PRO A 99 20.178 2.269 81.090 1.00 0.00 C ATOM 0 HA PRO A 99 21.120 3.165 78.176 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.362 4.613 80.344 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.838 4.989 79.566 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.270 3.779 82.217 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.767 4.362 81.530 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.415 1.626 81.938 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.101 2.205 80.933 1.00 0.00 H new ATOM 1536 N ASP A 100 23.801 2.753 79.971 1.00 0.00 N ATOM 1537 CA ASP A 100 25.240 2.423 79.844 1.00 0.00 C ATOM 1538 C ASP A 100 25.732 1.850 81.170 1.00 0.00 C ATOM 1539 O ASP A 100 25.107 0.992 81.766 1.00 0.00 O ATOM 1540 CB ASP A 100 26.026 3.690 79.497 1.00 0.00 C ATOM 1541 CG ASP A 100 27.433 3.307 79.035 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.842 2.191 79.312 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.078 4.135 78.414 1.00 0.00 O ATOM 0 H ASP A 100 23.504 3.058 80.898 1.00 0.00 H new ATOM 0 HA ASP A 100 25.387 1.689 79.052 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.513 4.246 78.712 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.083 4.345 80.366 1.00 0.00 H new ATOM 1548 N GLY A 101 26.843 2.325 81.636 1.00 0.00 N ATOM 1549 CA GLY A 101 27.390 1.821 82.924 1.00 0.00 C ATOM 1550 C GLY A 101 26.379 2.080 84.046 1.00 0.00 C ATOM 1551 O GLY A 101 26.619 1.770 85.204 1.00 0.00 O ATOM 0 H GLY A 101 27.403 3.046 81.180 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.601 0.754 82.849 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.334 2.317 83.149 1.00 0.00 H new ATOM 1555 N LEU A 102 25.230 2.625 83.722 1.00 0.00 N ATOM 1556 CA LEU A 102 24.226 2.878 84.787 1.00 0.00 C ATOM 1557 C LEU A 102 24.052 1.623 85.578 1.00 0.00 C ATOM 1558 O LEU A 102 24.466 1.549 86.717 1.00 0.00 O ATOM 1559 CB LEU A 102 22.873 3.281 84.193 1.00 0.00 C ATOM 1560 CG LEU A 102 21.894 3.754 85.292 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.546 4.073 84.659 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.680 2.667 86.358 1.00 0.00 C ATOM 0 H LEU A 102 24.953 2.900 82.780 1.00 0.00 H new ATOM 0 HA LEU A 102 24.580 3.695 85.416 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.017 4.078 83.464 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.442 2.434 83.659 1.00 0.00 H new ATOM 0 HG LEU A 102 22.323 4.636 85.767 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.852 4.407 85.430 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.670 4.861 83.916 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.150 3.179 84.177 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.987 3.032 87.116 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.268 1.774 85.889 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.634 2.424 86.826 1.00 0.00 H new ATOM 1574 N THR A 103 23.415 0.639 85.010 1.00 0.00 N ATOM 1575 CA THR A 103 23.184 -0.603 85.780 1.00 0.00 C ATOM 1576 C THR A 103 23.230 -0.251 87.266 1.00 0.00 C ATOM 1577 O THR A 103 22.370 0.439 87.789 1.00 0.00 O ATOM 1578 CB THR A 103 24.270 -1.635 85.461 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.341 -2.574 86.525 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.627 -0.948 85.303 1.00 0.00 C ATOM 0 H THR A 103 23.050 0.644 84.058 1.00 0.00 H new ATOM 0 HA THR A 103 22.217 -1.031 85.516 1.00 0.00 H new ATOM 0 HB THR A 103 24.020 -2.140 84.528 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.280 -2.771 86.725 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.388 -1.694 85.077 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.576 -0.224 84.490 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.885 -0.436 86.230 1.00 0.00 H new ATOM 1588 N ALA A 104 24.227 -0.704 87.946 1.00 0.00 N ATOM 1589 CA ALA A 104 24.338 -0.401 89.401 1.00 0.00 C ATOM 1590 C ALA A 104 25.191 0.865 89.638 1.00 0.00 C ATOM 1591 O ALA A 104 25.020 1.550 90.624 1.00 0.00 O ATOM 1592 CB ALA A 104 24.978 -1.597 90.112 1.00 0.00 C ATOM 0 H ALA A 104 24.980 -1.276 87.563 1.00 0.00 H new ATOM 0 HA ALA A 104 23.341 -0.218 89.800 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.063 -1.384 91.178 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.357 -2.481 89.967 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.970 -1.778 89.698 1.00 0.00 H new ATOM 1598 N LEU A 105 26.127 1.159 88.764 1.00 0.00 N ATOM 1599 CA LEU A 105 27.013 2.337 88.978 1.00 0.00 C ATOM 1600 C LEU A 105 26.234 3.641 89.177 1.00 0.00 C ATOM 1601 O LEU A 105 26.228 4.207 90.254 1.00 0.00 O ATOM 1602 CB LEU A 105 27.921 2.517 87.768 1.00 0.00 C ATOM 1603 CG LEU A 105 28.495 1.175 87.311 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.565 1.433 86.251 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.120 0.433 88.499 1.00 0.00 C ATOM 0 H LEU A 105 26.311 0.629 87.912 1.00 0.00 H new ATOM 0 HA LEU A 105 27.583 2.137 89.885 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.360 2.974 86.952 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.734 3.199 88.017 1.00 0.00 H new ATOM 0 HG LEU A 105 27.695 0.561 86.897 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.982 0.483 85.917 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.119 1.952 85.403 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.358 2.048 86.677 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.525 -0.521 88.160 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.922 1.037 88.924 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.358 0.255 89.258 1.00 0.00 H new ATOM 1617 N GLU A 106 25.624 4.151 88.143 1.00 0.00 N ATOM 1618 CA GLU A 106 24.909 5.441 88.272 1.00 0.00 C ATOM 1619 C GLU A 106 23.537 5.233 88.914 1.00 0.00 C ATOM 1620 O GLU A 106 22.755 6.160 89.034 1.00 0.00 O ATOM 1621 CB GLU A 106 24.733 6.055 86.880 1.00 0.00 C ATOM 1622 CG GLU A 106 26.064 6.028 86.124 1.00 0.00 C ATOM 1623 CD GLU A 106 27.007 7.084 86.706 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.630 7.716 87.679 1.00 0.00 O ATOM 1625 OE2 GLU A 106 28.091 7.244 86.169 1.00 0.00 O ATOM 0 H GLU A 106 25.593 3.726 87.216 1.00 0.00 H new ATOM 0 HA GLU A 106 25.492 6.109 88.906 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.977 5.502 86.322 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.376 7.081 86.969 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.517 5.040 86.200 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.896 6.220 85.064 1.00 0.00 H new ATOM 1632 N ALA A 107 23.225 4.035 89.323 1.00 0.00 N ATOM 1633 CA ALA A 107 21.894 3.810 89.947 1.00 0.00 C ATOM 1634 C ALA A 107 21.851 4.334 91.389 1.00 0.00 C ATOM 1635 O ALA A 107 20.912 5.004 91.772 1.00 0.00 O ATOM 1636 CB ALA A 107 21.573 2.320 89.969 1.00 0.00 C ATOM 0 H ALA A 107 23.825 3.213 89.253 1.00 0.00 H new ATOM 0 HA ALA A 107 21.160 4.352 89.350 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.596 2.165 90.428 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.560 1.936 88.949 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.333 1.793 90.546 1.00 0.00 H new ATOM 1642 N THR A 108 22.807 4.007 92.222 1.00 0.00 N ATOM 1643 CA THR A 108 22.703 4.480 93.632 1.00 0.00 C ATOM 1644 C THR A 108 24.057 4.531 94.343 1.00 0.00 C ATOM 1645 O THR A 108 25.097 4.735 93.750 1.00 0.00 O ATOM 1646 CB THR A 108 21.827 3.487 94.377 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.611 3.943 95.705 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.542 2.135 94.402 1.00 0.00 C ATOM 0 H THR A 108 23.631 3.450 91.995 1.00 0.00 H new ATOM 0 HA THR A 108 22.295 5.491 93.622 1.00 0.00 H new ATOM 0 HB THR A 108 20.863 3.389 93.879 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.044 3.302 96.183 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.928 1.408 94.933 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.708 1.792 93.381 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.501 2.240 94.910 1.00 0.00 H new ATOM 1656 N ASP A 109 24.018 4.331 95.640 1.00 0.00 N ATOM 1657 CA ASP A 109 25.252 4.339 96.463 1.00 0.00 C ATOM 1658 C ASP A 109 25.140 3.272 97.558 1.00 0.00 C ATOM 1659 O ASP A 109 26.083 3.032 98.285 1.00 0.00 O ATOM 1660 CB ASP A 109 25.451 5.714 97.108 1.00 0.00 C ATOM 1661 CG ASP A 109 26.642 5.658 98.071 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.592 4.956 97.766 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.581 6.316 99.097 1.00 0.00 O ATOM 0 H ASP A 109 23.161 4.160 96.165 1.00 0.00 H new ATOM 0 HA ASP A 109 26.107 4.123 95.823 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.626 6.466 96.339 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.549 6.010 97.644 1.00 0.00 H new ATOM 1668 N ASN A 110 24.015 2.598 97.670 1.00 0.00 N ATOM 1669 CA ASN A 110 23.917 1.531 98.712 1.00 0.00 C ATOM 1670 C ASN A 110 24.691 0.326 98.180 1.00 0.00 C ATOM 1671 O ASN A 110 24.651 0.019 97.006 1.00 0.00 O ATOM 1672 CB ASN A 110 22.452 1.171 99.022 1.00 0.00 C ATOM 1673 CG ASN A 110 21.794 0.534 97.808 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.401 0.585 96.668 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.716 -0.020 97.904 1.00 0.00 N flip ATOM 0 H ASN A 110 23.182 2.738 97.098 1.00 0.00 H new ATOM 0 HA ASN A 110 24.341 1.876 99.655 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.411 0.485 99.868 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.904 2.068 99.312 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.241 -0.058 98.806 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.287 -0.447 97.083 1.00 0.00 H new ATOM 1682 N GLN A 111 25.462 -0.300 99.017 1.00 0.00 N ATOM 1683 CA GLN A 111 26.331 -1.426 98.558 1.00 0.00 C ATOM 1684 C GLN A 111 25.541 -2.705 98.195 1.00 0.00 C ATOM 1685 O GLN A 111 26.125 -3.726 97.897 1.00 0.00 O ATOM 1686 CB GLN A 111 27.357 -1.696 99.664 1.00 0.00 C ATOM 1687 CG GLN A 111 28.044 -3.044 99.460 1.00 0.00 C ATOM 1688 CD GLN A 111 29.333 -3.058 100.280 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.450 -2.337 101.249 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.313 -3.840 99.930 1.00 0.00 N ATOM 0 H GLN A 111 25.532 -0.082 100.011 1.00 0.00 H new ATOM 0 HA GLN A 111 26.825 -1.134 97.631 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.103 -0.902 99.673 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.862 -1.680 100.635 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.387 -3.856 99.773 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.265 -3.201 98.404 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.216 -4.446 99.116 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.178 -3.846 100.470 1.00 0.00 H new ATOM 1699 N ALA A 112 24.235 -2.670 98.164 1.00 0.00 N ATOM 1700 CA ALA A 112 23.478 -3.903 97.773 1.00 0.00 C ATOM 1701 C ALA A 112 23.384 -3.939 96.246 1.00 0.00 C ATOM 1702 O ALA A 112 23.608 -4.948 95.590 1.00 0.00 O ATOM 1703 CB ALA A 112 22.069 -3.859 98.370 1.00 0.00 C ATOM 0 H ALA A 112 23.663 -1.856 98.388 1.00 0.00 H new ATOM 0 HA ALA A 112 23.989 -4.791 98.145 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.524 -4.758 98.082 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.136 -3.807 99.457 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.543 -2.980 97.997 1.00 0.00 H new ATOM 1709 N ILE A 113 23.095 -2.810 95.696 1.00 0.00 N ATOM 1710 CA ILE A 113 23.004 -2.655 94.220 1.00 0.00 C ATOM 1711 C ILE A 113 24.403 -2.775 93.652 1.00 0.00 C ATOM 1712 O ILE A 113 24.683 -3.545 92.750 1.00 0.00 O ATOM 1713 CB ILE A 113 22.510 -1.233 93.942 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.985 -1.181 93.938 1.00 0.00 C ATOM 1715 CG2 ILE A 113 23.047 -0.742 92.597 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.456 -1.126 95.373 1.00 0.00 C ATOM 0 H ILE A 113 22.910 -1.954 96.220 1.00 0.00 H new ATOM 0 HA ILE A 113 22.341 -3.402 93.783 1.00 0.00 H new ATOM 0 HB ILE A 113 22.879 -0.583 94.736 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.645 -0.307 93.383 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.585 -2.057 93.428 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.689 0.270 92.410 1.00 0.00 H new ATOM 0 HG22 ILE A 113 24.137 -0.744 92.618 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.698 -1.402 91.803 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.367 -1.089 95.358 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.782 -2.014 95.915 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.842 -0.236 95.869 1.00 0.00 H new ATOM 1728 N LYS A 114 25.278 -1.993 94.191 1.00 0.00 N ATOM 1729 CA LYS A 114 26.677 -2.001 93.730 1.00 0.00 C ATOM 1730 C LYS A 114 27.184 -3.437 93.824 1.00 0.00 C ATOM 1731 O LYS A 114 28.201 -3.799 93.256 1.00 0.00 O ATOM 1732 CB LYS A 114 27.486 -1.029 94.613 1.00 0.00 C ATOM 1733 CG LYS A 114 26.623 0.226 94.918 1.00 0.00 C ATOM 1734 CD LYS A 114 27.156 1.449 94.170 1.00 0.00 C ATOM 1735 CE LYS A 114 26.936 1.289 92.659 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.246 1.013 92.008 1.00 0.00 N ATOM 0 H LYS A 114 25.078 -1.337 94.946 1.00 0.00 H new ATOM 0 HA LYS A 114 26.778 -1.668 92.697 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.776 -1.519 95.542 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.406 -0.738 94.105 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.589 0.040 94.629 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.624 0.421 95.990 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.652 2.348 94.524 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.218 1.576 94.378 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.239 0.474 92.464 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.492 2.194 92.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.112 0.333 91.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.638 1.898 91.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.904 0.615 92.708 1.00 0.00 H new ATOM 1750 N ALA A 115 26.443 -4.273 94.511 1.00 0.00 N ATOM 1751 CA ALA A 115 26.833 -5.698 94.625 1.00 0.00 C ATOM 1752 C ALA A 115 26.766 -6.347 93.246 1.00 0.00 C ATOM 1753 O ALA A 115 27.633 -7.106 92.872 1.00 0.00 O ATOM 1754 CB ALA A 115 25.885 -6.428 95.579 1.00 0.00 C ATOM 0 H ALA A 115 25.582 -4.021 94.997 1.00 0.00 H new ATOM 0 HA ALA A 115 27.848 -5.763 95.017 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.180 -7.474 95.656 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.932 -5.965 96.564 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.866 -6.366 95.197 1.00 0.00 H new ATOM 1760 N LEU A 116 25.736 -6.072 92.479 1.00 0.00 N ATOM 1761 CA LEU A 116 25.655 -6.706 91.129 1.00 0.00 C ATOM 1762 C LEU A 116 26.725 -6.108 90.207 1.00 0.00 C ATOM 1763 O LEU A 116 27.051 -6.683 89.189 1.00 0.00 O ATOM 1764 CB LEU A 116 24.273 -6.474 90.497 1.00 0.00 C ATOM 1765 CG LEU A 116 23.380 -7.728 90.592 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.200 -7.571 89.631 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.152 -9.001 90.210 1.00 0.00 C ATOM 0 H LEU A 116 24.966 -5.450 92.724 1.00 0.00 H new ATOM 0 HA LEU A 116 25.818 -7.777 91.249 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.781 -5.639 90.996 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.395 -6.193 89.451 1.00 0.00 H new ATOM 0 HG LEU A 116 23.039 -7.824 91.623 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.562 -8.453 89.691 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.623 -6.687 89.904 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.572 -7.461 88.613 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.491 -9.864 90.288 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.514 -8.913 89.186 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.999 -9.129 90.885 1.00 0.00 H new ATOM 1779 N LEU A 117 27.292 -4.978 90.547 1.00 0.00 N ATOM 1780 CA LEU A 117 28.345 -4.412 89.658 1.00 0.00 C ATOM 1781 C LEU A 117 29.593 -5.256 89.873 1.00 0.00 C ATOM 1782 O LEU A 117 30.632 -5.049 89.279 1.00 0.00 O ATOM 1783 CB LEU A 117 28.585 -2.920 89.983 1.00 0.00 C ATOM 1784 CG LEU A 117 29.846 -2.710 90.841 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.104 -2.692 89.955 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.740 -1.363 91.547 1.00 0.00 C ATOM 0 H LEU A 117 27.076 -4.435 91.383 1.00 0.00 H new ATOM 0 HA LEU A 117 28.048 -4.446 88.610 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.681 -2.358 89.054 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.718 -2.520 90.509 1.00 0.00 H new ATOM 0 HG LEU A 117 29.922 -3.525 91.561 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.986 -2.543 90.578 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.190 -3.641 89.426 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.028 -1.879 89.232 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.628 -1.202 92.159 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.662 -0.568 90.805 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.855 -1.354 92.183 1.00 0.00 H new ATOM 1798 N GLN A 118 29.453 -6.251 90.700 1.00 0.00 N ATOM 1799 CA GLN A 118 30.583 -7.183 90.965 1.00 0.00 C ATOM 1800 C GLN A 118 30.938 -7.912 89.669 1.00 0.00 C ATOM 1801 O GLN A 118 30.234 -8.849 89.333 1.00 0.00 O ATOM 1802 CB GLN A 118 30.145 -8.227 91.995 1.00 0.00 C ATOM 1803 CG GLN A 118 30.372 -7.700 93.410 1.00 0.00 C ATOM 1804 CD GLN A 118 29.726 -8.653 94.419 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.408 -9.418 95.071 1.00 0.00 O ATOM 1806 NE2 GLN A 118 28.430 -8.642 94.575 1.00 0.00 N ATOM 1807 OXT GLN A 118 31.906 -7.523 89.037 1.00 0.00 O ATOM 0 H GLN A 118 28.595 -6.461 91.210 1.00 0.00 H new ATOM 0 HA GLN A 118 31.440 -6.621 91.337 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.091 -8.468 91.854 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.706 -9.150 91.849 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.440 -7.611 93.610 1.00 0.00 H new ATOM 0 HG3 GLN A 118 29.945 -6.702 93.511 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.856 -8.000 94.028 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.991 -9.275 95.244 1.00 0.00 H new