USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=30 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 40 HIS : no HD1:sc= 0.526 K(o=1.4,f=-2.8) USER MOD Set 1.2: A 74 SER OG : rot 134:sc= 0.877 USER MOD Single : A 4 LYS NZ :NH3+ -166:sc=-0.00738 (180deg=-0.291) USER MOD Single : A 7 MET CE :methyl 161:sc= -0.269 (180deg=-1.42!) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0591) USER MOD Single : A 12 ASN : amide:sc= -0.427 K(o=-0.43,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -0.215 (180deg=-1.05!) 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= -0.894 F(o=-3.3!,f=-0.89) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.153 (180deg=-0.552) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.571 USER MOD Single : A 45 CYS SG : rot 48:sc= -1.56! USER MOD Single : A 47 GLN : amide:sc= -4.32! C(o=-4.3!,f=-12!) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= -0.318 (180deg=-1.33!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.849! C(o=-8.9!,f=-0.85!) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.4) USER MOD Single : A 67 HIS : no HD1:sc= -0.814 K(o=-0.81,f=-1.5!) USER MOD Single : A 68 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-7.7!) USER MOD Single : A 70 THR OG1 : rot 119:sc= -5.04! USER MOD Single : A 77 TYR OH : rot 150:sc= -0.405 USER MOD Single : A 80 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-2.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -1.35 USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0385) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -118:sc= 0.344 (180deg=-1.76!) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= -1.41! (180deg=-2.97!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00855) USER MOD Single : A 103 THR OG1 : rot -143:sc= -0.411! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.324! USER MOD Single : A 110 ASN :FLIP amide:sc= -16.9! C(o=-23!,f=-17!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 137:sc= -5.51! (180deg=-9.65!) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.851 -8.755 86.718 1.00 0.00 N ATOM 44 CA LYS A 4 -6.750 -8.310 88.135 1.00 0.00 C ATOM 45 C LYS A 4 -6.216 -9.449 89.010 1.00 0.00 C ATOM 46 O LYS A 4 -5.241 -9.293 89.717 1.00 0.00 O ATOM 47 CB LYS A 4 -8.136 -7.888 88.624 1.00 0.00 C ATOM 48 CG LYS A 4 -8.521 -6.559 87.968 1.00 0.00 C ATOM 49 CD LYS A 4 -9.924 -6.150 88.421 1.00 0.00 C ATOM 50 CE LYS A 4 -10.429 -5.004 87.542 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.514 -3.835 87.674 1.00 0.00 N ATOM 0 HA LYS A 4 -6.062 -7.467 88.202 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.870 -8.655 88.377 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.136 -7.785 89.709 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.801 -5.787 88.238 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.492 -6.656 86.883 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.602 -7.001 88.353 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.905 -5.840 89.466 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.479 -5.325 86.501 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.440 -4.723 87.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.971 -2.990 87.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.301 -3.673 88.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.631 -4.026 87.159 1.00 0.00 H new ATOM 65 N GLU A 5 -6.845 -10.592 88.975 1.00 0.00 N ATOM 66 CA GLU A 5 -6.367 -11.728 89.815 1.00 0.00 C ATOM 67 C GLU A 5 -4.955 -12.137 89.382 1.00 0.00 C ATOM 68 O GLU A 5 -4.040 -12.185 90.180 1.00 0.00 O ATOM 69 CB GLU A 5 -7.321 -12.918 89.654 1.00 0.00 C ATOM 70 CG GLU A 5 -8.475 -12.788 90.651 1.00 0.00 C ATOM 71 CD GLU A 5 -9.466 -13.934 90.439 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.182 -14.795 89.623 1.00 0.00 O ATOM 73 OE2 GLU A 5 -10.494 -13.930 91.097 1.00 0.00 O ATOM 0 H GLU A 5 -7.667 -10.789 88.403 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.344 -11.419 90.860 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.709 -12.951 88.636 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.785 -13.852 89.822 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.092 -12.809 91.671 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.977 -11.830 90.519 1.00 0.00 H new ATOM 80 N PHE A 6 -4.772 -12.441 88.129 1.00 0.00 N ATOM 81 CA PHE A 6 -3.423 -12.855 87.648 1.00 0.00 C ATOM 82 C PHE A 6 -2.410 -11.737 87.912 1.00 0.00 C ATOM 83 O PHE A 6 -1.277 -11.983 88.274 1.00 0.00 O ATOM 84 CB PHE A 6 -3.497 -13.134 86.143 1.00 0.00 C ATOM 85 CG PHE A 6 -2.107 -13.307 85.577 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.334 -14.416 85.943 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.590 -12.361 84.681 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.047 -14.577 85.416 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.303 -12.523 84.155 1.00 0.00 C ATOM 90 CZ PHE A 6 0.468 -13.631 84.522 1.00 0.00 C ATOM 0 H PHE A 6 -5.499 -12.421 87.414 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.106 -13.753 88.178 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.087 -14.032 85.961 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.004 -12.312 85.638 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.731 -15.147 86.632 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.185 -11.506 84.396 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.549 -15.432 85.699 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.095 -11.793 83.466 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.461 -13.757 84.116 1.00 0.00 H new ATOM 100 N MET A 7 -2.807 -10.511 87.718 1.00 0.00 N ATOM 101 CA MET A 7 -1.875 -9.367 87.934 1.00 0.00 C ATOM 102 C MET A 7 -1.745 -9.052 89.426 1.00 0.00 C ATOM 103 O MET A 7 -0.659 -9.005 89.971 1.00 0.00 O ATOM 104 CB MET A 7 -2.424 -8.141 87.202 1.00 0.00 C ATOM 105 CG MET A 7 -1.628 -6.895 87.601 1.00 0.00 C ATOM 106 SD MET A 7 -1.888 -5.585 86.377 1.00 0.00 S ATOM 107 CE MET A 7 -3.683 -5.764 86.204 1.00 0.00 C ATOM 0 H MET A 7 -3.745 -10.249 87.416 1.00 0.00 H new ATOM 0 HA MET A 7 -0.890 -9.630 87.549 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.363 -8.293 86.124 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.478 -8.003 87.445 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.942 -6.552 88.587 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.567 -7.136 87.670 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.099 -4.856 85.766 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.903 -6.613 85.557 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.128 -5.930 87.185 1.00 0.00 H new ATOM 117 N TRP A 8 -2.842 -8.818 90.089 1.00 0.00 N ATOM 118 CA TRP A 8 -2.782 -8.492 91.541 1.00 0.00 C ATOM 119 C TRP A 8 -1.949 -9.547 92.274 1.00 0.00 C ATOM 120 O TRP A 8 -1.648 -9.413 93.442 1.00 0.00 O ATOM 121 CB TRP A 8 -4.203 -8.471 92.111 1.00 0.00 C ATOM 122 CG TRP A 8 -4.177 -7.956 93.513 1.00 0.00 C ATOM 123 CD1 TRP A 8 -3.977 -8.715 94.614 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.359 -6.589 93.985 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.021 -7.902 95.732 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.252 -6.582 95.395 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.596 -5.366 93.332 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.386 -5.406 96.133 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.731 -4.180 94.072 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.622 -4.200 95.469 1.00 0.00 C ATOM 0 H TRP A 8 -3.779 -8.838 89.688 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.318 -7.515 91.676 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.843 -7.841 91.494 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.628 -9.474 92.090 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.810 -9.782 94.619 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.898 -8.236 96.688 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.675 -5.339 92.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.308 -5.428 97.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.920 -3.247 93.562 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.720 -3.284 96.032 1.00 0.00 H new ATOM 141 N ALA A 9 -1.571 -10.599 91.599 1.00 0.00 N ATOM 142 CA ALA A 9 -0.758 -11.657 92.258 1.00 0.00 C ATOM 143 C ALA A 9 0.724 -11.283 92.179 1.00 0.00 C ATOM 144 O ALA A 9 1.428 -11.301 93.169 1.00 0.00 O ATOM 145 CB ALA A 9 -1.002 -12.995 91.561 1.00 0.00 C ATOM 0 H ALA A 9 -1.791 -10.770 90.618 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.047 -11.745 93.305 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.407 -13.770 92.043 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.059 -13.254 91.629 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.715 -12.917 90.512 1.00 0.00 H new ATOM 151 N LEU A 10 1.207 -10.920 91.021 1.00 0.00 N ATOM 152 CA LEU A 10 2.640 -10.522 90.920 1.00 0.00 C ATOM 153 C LEU A 10 2.938 -9.507 92.017 1.00 0.00 C ATOM 154 O LEU A 10 4.073 -9.232 92.348 1.00 0.00 O ATOM 155 CB LEU A 10 2.908 -9.822 89.585 1.00 0.00 C ATOM 156 CG LEU A 10 2.382 -10.644 88.397 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.757 -9.698 87.361 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.547 -11.401 87.745 1.00 0.00 C ATOM 0 H LEU A 10 0.678 -10.882 90.150 1.00 0.00 H new ATOM 0 HA LEU A 10 3.257 -11.416 91.008 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.434 -8.841 89.587 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.979 -9.658 89.468 1.00 0.00 H new ATOM 0 HG LEU A 10 1.633 -11.353 88.749 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.383 -10.278 86.517 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.933 -9.151 87.819 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.511 -8.993 87.011 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.176 -11.984 86.902 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.292 -10.688 87.392 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.002 -12.069 88.477 1.00 0.00 H new ATOM 170 N LYS A 11 1.910 -8.904 92.527 1.00 0.00 N ATOM 171 CA LYS A 11 2.081 -7.838 93.550 1.00 0.00 C ATOM 172 C LYS A 11 2.105 -8.383 94.987 1.00 0.00 C ATOM 173 O LYS A 11 3.100 -8.280 95.674 1.00 0.00 O ATOM 174 CB LYS A 11 0.908 -6.881 93.390 1.00 0.00 C ATOM 175 CG LYS A 11 0.810 -5.942 94.591 1.00 0.00 C ATOM 176 CD LYS A 11 -0.117 -4.776 94.229 1.00 0.00 C ATOM 177 CE LYS A 11 -0.783 -4.228 95.488 1.00 0.00 C ATOM 178 NZ LYS A 11 0.261 -3.649 96.375 1.00 0.00 N ATOM 0 H LYS A 11 0.942 -9.105 92.277 1.00 0.00 H new ATOM 0 HA LYS A 11 3.042 -7.349 93.393 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.029 -6.299 92.476 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.018 -7.447 93.288 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.423 -6.477 95.458 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.798 -5.569 94.861 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.452 -3.988 93.736 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.876 -5.110 93.522 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.518 -3.467 95.225 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.319 -5.023 96.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.192 -3.083 97.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.812 -4.417 96.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.894 -3.042 95.816 1.00 0.00 H new ATOM 192 N ASN A 12 1.008 -8.906 95.466 1.00 0.00 N ATOM 193 CA ASN A 12 0.970 -9.382 96.883 1.00 0.00 C ATOM 194 C ASN A 12 1.671 -10.728 97.037 1.00 0.00 C ATOM 195 O ASN A 12 1.392 -11.485 97.946 1.00 0.00 O ATOM 196 CB ASN A 12 -0.483 -9.520 97.313 1.00 0.00 C ATOM 197 CG ASN A 12 -0.555 -9.768 98.821 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.434 -8.849 99.607 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.750 -10.981 99.259 1.00 0.00 N ATOM 0 H ASN A 12 0.141 -9.025 94.943 1.00 0.00 H new ATOM 0 HA ASN A 12 1.491 -8.657 97.508 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.035 -8.616 97.057 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.954 -10.344 96.777 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.801 -11.159 100.262 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.851 -11.752 98.598 1.00 0.00 H new ATOM 206 N GLY A 13 2.597 -11.020 96.178 1.00 0.00 N ATOM 207 CA GLY A 13 3.338 -12.300 96.294 1.00 0.00 C ATOM 208 C GLY A 13 2.383 -13.490 96.226 1.00 0.00 C ATOM 209 O GLY A 13 2.745 -14.592 96.585 1.00 0.00 O ATOM 0 H GLY A 13 2.875 -10.426 95.397 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.074 -12.373 95.493 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.888 -12.323 97.235 1.00 0.00 H new ATOM 213 N ASP A 14 1.179 -13.300 95.760 1.00 0.00 N ATOM 214 CA ASP A 14 0.254 -14.456 95.669 1.00 0.00 C ATOM 215 C ASP A 14 0.815 -15.398 94.613 1.00 0.00 C ATOM 216 O ASP A 14 0.148 -15.819 93.691 1.00 0.00 O ATOM 217 CB ASP A 14 -1.138 -13.995 95.268 1.00 0.00 C ATOM 218 CG ASP A 14 -1.508 -12.729 96.044 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.102 -12.619 97.190 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.195 -11.892 95.482 1.00 0.00 O ATOM 0 H ASP A 14 0.803 -12.406 95.443 1.00 0.00 H new ATOM 0 HA ASP A 14 0.172 -14.956 96.634 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.171 -13.799 94.196 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.864 -14.782 95.471 1.00 0.00 H new ATOM 225 N LEU A 15 2.062 -15.700 94.762 1.00 0.00 N ATOM 226 CA LEU A 15 2.776 -16.589 93.817 1.00 0.00 C ATOM 227 C LEU A 15 1.894 -17.785 93.461 1.00 0.00 C ATOM 228 O LEU A 15 1.984 -18.342 92.386 1.00 0.00 O ATOM 229 CB LEU A 15 4.071 -17.037 94.503 1.00 0.00 C ATOM 230 CG LEU A 15 4.912 -17.937 93.590 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.325 -19.353 93.553 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.971 -17.358 92.167 1.00 0.00 C ATOM 0 H LEU A 15 2.640 -15.355 95.529 1.00 0.00 H new ATOM 0 HA LEU A 15 3.010 -16.071 92.887 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.654 -16.161 94.788 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.830 -17.573 95.421 1.00 0.00 H new ATOM 0 HG LEU A 15 5.924 -17.982 93.992 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.932 -19.981 92.901 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.321 -19.772 94.559 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.304 -19.314 93.172 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.572 -18.010 91.533 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.962 -17.287 91.761 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.421 -16.366 92.196 1.00 0.00 H new ATOM 244 N ASP A 16 1.035 -18.175 94.351 1.00 0.00 N ATOM 245 CA ASP A 16 0.139 -19.321 94.078 1.00 0.00 C ATOM 246 C ASP A 16 -0.839 -18.956 92.960 1.00 0.00 C ATOM 247 O ASP A 16 -1.305 -19.805 92.225 1.00 0.00 O ATOM 248 CB ASP A 16 -0.643 -19.645 95.346 1.00 0.00 C ATOM 249 CG ASP A 16 0.331 -19.978 96.478 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.955 -19.061 96.986 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.436 -21.146 96.817 1.00 0.00 O ATOM 0 H ASP A 16 0.914 -17.743 95.267 1.00 0.00 H new ATOM 0 HA ASP A 16 0.729 -20.184 93.770 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.267 -18.797 95.627 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.311 -20.487 95.168 1.00 0.00 H new ATOM 256 N GLU A 17 -1.170 -17.699 92.839 1.00 0.00 N ATOM 257 CA GLU A 17 -2.138 -17.278 91.785 1.00 0.00 C ATOM 258 C GLU A 17 -1.448 -17.213 90.417 1.00 0.00 C ATOM 259 O GLU A 17 -1.961 -17.715 89.435 1.00 0.00 O ATOM 260 CB GLU A 17 -2.709 -15.904 92.148 1.00 0.00 C ATOM 261 CG GLU A 17 -3.940 -16.082 93.042 1.00 0.00 C ATOM 262 CD GLU A 17 -3.558 -16.901 94.277 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.256 -18.072 94.118 1.00 0.00 O ATOM 264 OE2 GLU A 17 -3.572 -16.341 95.361 1.00 0.00 O ATOM 0 H GLU A 17 -0.812 -16.945 93.425 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.945 -18.009 91.728 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.955 -15.310 92.664 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.979 -15.360 91.243 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.328 -15.109 93.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.734 -16.585 92.490 1.00 0.00 H new ATOM 271 N VAL A 18 -0.289 -16.622 90.332 1.00 0.00 N ATOM 272 CA VAL A 18 0.397 -16.565 89.010 1.00 0.00 C ATOM 273 C VAL A 18 0.781 -17.990 88.628 1.00 0.00 C ATOM 274 O VAL A 18 0.824 -18.355 87.472 1.00 0.00 O ATOM 275 CB VAL A 18 1.668 -15.703 89.107 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.392 -14.297 88.568 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.113 -15.614 90.567 1.00 0.00 C ATOM 0 H VAL A 18 0.207 -16.182 91.107 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.263 -16.124 88.263 1.00 0.00 H new ATOM 0 HB VAL A 18 2.457 -16.162 88.512 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.298 -13.695 88.641 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.082 -14.362 87.525 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.599 -13.832 89.154 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.013 -15.004 90.636 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.320 -15.160 91.162 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.323 -16.615 90.945 1.00 0.00 H new ATOM 287 N LYS A 19 1.049 -18.795 89.613 1.00 0.00 N ATOM 288 CA LYS A 19 1.424 -20.211 89.364 1.00 0.00 C ATOM 289 C LYS A 19 0.309 -20.917 88.594 1.00 0.00 C ATOM 290 O LYS A 19 0.553 -21.784 87.779 1.00 0.00 O ATOM 291 CB LYS A 19 1.622 -20.888 90.726 1.00 0.00 C ATOM 292 CG LYS A 19 2.012 -22.365 90.559 1.00 0.00 C ATOM 293 CD LYS A 19 3.529 -22.480 90.365 1.00 0.00 C ATOM 294 CE LYS A 19 4.236 -22.533 91.722 1.00 0.00 C ATOM 295 NZ LYS A 19 3.793 -23.742 92.468 1.00 0.00 N ATOM 0 H LYS A 19 1.024 -18.527 90.597 1.00 0.00 H new ATOM 0 HA LYS A 19 2.338 -20.264 88.773 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.397 -20.365 91.286 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.704 -20.815 91.309 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.704 -22.934 91.436 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.492 -22.794 89.702 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.762 -23.377 89.791 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.894 -21.629 89.790 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.316 -22.556 91.580 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.009 -21.635 92.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.573 -24.088 93.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.979 -23.500 93.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.517 -24.484 91.794 1.00 0.00 H new ATOM 309 N ASP A 20 -0.911 -20.564 88.867 1.00 0.00 N ATOM 310 CA ASP A 20 -2.061 -21.217 88.185 1.00 0.00 C ATOM 311 C ASP A 20 -2.120 -20.826 86.702 1.00 0.00 C ATOM 312 O ASP A 20 -2.310 -21.662 85.838 1.00 0.00 O ATOM 313 CB ASP A 20 -3.362 -20.788 88.872 1.00 0.00 C ATOM 314 CG ASP A 20 -4.495 -21.729 88.455 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.740 -21.837 87.265 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.098 -22.324 89.332 1.00 0.00 O ATOM 0 H ASP A 20 -1.166 -19.842 89.541 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.934 -22.298 88.251 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.238 -20.809 89.955 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.608 -19.762 88.599 1.00 0.00 H new ATOM 321 N TYR A 21 -1.990 -19.565 86.395 1.00 0.00 N ATOM 322 CA TYR A 21 -2.075 -19.138 84.966 1.00 0.00 C ATOM 323 C TYR A 21 -0.952 -19.769 84.137 1.00 0.00 C ATOM 324 O TYR A 21 -1.207 -20.424 83.146 1.00 0.00 O ATOM 325 CB TYR A 21 -2.001 -17.611 84.880 1.00 0.00 C ATOM 326 CG TYR A 21 -3.328 -17.028 85.313 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.714 -17.097 86.657 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.173 -16.423 84.372 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.947 -16.568 87.060 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.405 -15.892 84.776 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.790 -15.962 86.121 1.00 0.00 C ATOM 332 OH TYR A 21 -7.004 -15.441 86.519 1.00 0.00 O ATOM 0 H TYR A 21 -1.829 -18.814 87.066 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.027 -19.478 84.558 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.200 -17.237 85.517 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.769 -17.302 83.861 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.061 -17.558 87.383 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.874 -16.366 83.336 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.247 -16.628 88.096 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.058 -15.429 84.051 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.465 -15.056 85.744 1.00 0.00 H new ATOM 342 N VAL A 22 0.285 -19.585 84.510 1.00 0.00 N ATOM 343 CA VAL A 22 1.378 -20.193 83.701 1.00 0.00 C ATOM 344 C VAL A 22 1.327 -21.716 83.830 1.00 0.00 C ATOM 345 O VAL A 22 1.841 -22.429 82.991 1.00 0.00 O ATOM 346 CB VAL A 22 2.743 -19.673 84.153 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.014 -20.091 85.596 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.829 -20.252 83.241 1.00 0.00 C ATOM 0 H VAL A 22 0.583 -19.050 85.326 1.00 0.00 H new ATOM 0 HA VAL A 22 1.236 -19.913 82.657 1.00 0.00 H new ATOM 0 HB VAL A 22 2.750 -18.585 84.093 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.989 -19.715 85.907 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.242 -19.678 86.245 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.005 -21.179 85.668 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.805 -19.885 83.559 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.813 -21.340 83.302 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.643 -19.944 82.212 1.00 0.00 H new ATOM 358 N ALA A 23 0.696 -22.237 84.853 1.00 0.00 N ATOM 359 CA ALA A 23 0.624 -23.717 84.971 1.00 0.00 C ATOM 360 C ALA A 23 -0.023 -24.228 83.693 1.00 0.00 C ATOM 361 O ALA A 23 0.155 -25.360 83.291 1.00 0.00 O ATOM 362 CB ALA A 23 -0.231 -24.121 86.176 1.00 0.00 C ATOM 0 H ALA A 23 0.237 -21.710 85.596 1.00 0.00 H new ATOM 0 HA ALA A 23 1.619 -24.138 85.113 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.272 -25.208 86.245 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.209 -23.715 87.087 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.240 -23.727 86.054 1.00 0.00 H new ATOM 368 N LYS A 24 -0.755 -23.368 83.040 1.00 0.00 N ATOM 369 CA LYS A 24 -1.410 -23.748 81.766 1.00 0.00 C ATOM 370 C LYS A 24 -0.340 -24.229 80.790 1.00 0.00 C ATOM 371 O LYS A 24 -0.087 -25.408 80.655 1.00 0.00 O ATOM 372 CB LYS A 24 -2.108 -22.517 81.178 1.00 0.00 C ATOM 373 CG LYS A 24 -3.316 -22.144 82.042 1.00 0.00 C ATOM 374 CD LYS A 24 -4.551 -22.909 81.557 1.00 0.00 C ATOM 375 CE LYS A 24 -5.557 -23.049 82.704 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.208 -24.243 83.522 1.00 0.00 N ATOM 0 H LYS A 24 -0.926 -22.409 83.342 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.140 -24.538 81.940 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.411 -21.680 81.131 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.429 -22.723 80.157 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.116 -22.382 83.087 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.497 -21.070 81.988 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.010 -22.383 80.720 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.260 -23.895 81.193 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.545 -22.153 83.324 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.567 -23.149 82.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.889 -24.341 84.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.240 -25.094 82.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.250 -24.129 83.911 1.00 0.00 H new ATOM 390 N GLY A 25 0.296 -23.315 80.119 1.00 0.00 N ATOM 391 CA GLY A 25 1.358 -23.699 79.157 1.00 0.00 C ATOM 392 C GLY A 25 2.257 -22.494 78.869 1.00 0.00 C ATOM 393 O GLY A 25 1.966 -21.685 78.013 1.00 0.00 O ATOM 0 H GLY A 25 0.124 -22.313 80.197 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.951 -24.518 79.564 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.910 -24.059 78.231 1.00 0.00 H new ATOM 397 N GLU A 26 3.352 -22.394 79.577 1.00 0.00 N ATOM 398 CA GLU A 26 4.324 -21.273 79.373 1.00 0.00 C ATOM 399 C GLU A 26 3.628 -19.995 78.892 1.00 0.00 C ATOM 400 O GLU A 26 3.234 -19.877 77.747 1.00 0.00 O ATOM 401 CB GLU A 26 5.394 -21.700 78.369 1.00 0.00 C ATOM 402 CG GLU A 26 4.764 -22.562 77.281 1.00 0.00 C ATOM 403 CD GLU A 26 4.469 -23.959 77.833 1.00 0.00 C ATOM 404 OE1 GLU A 26 5.047 -24.309 78.849 1.00 0.00 O ATOM 405 OE2 GLU A 26 3.669 -24.656 77.230 1.00 0.00 O ATOM 0 H GLU A 26 3.621 -23.056 80.305 1.00 0.00 H new ATOM 0 HA GLU A 26 4.788 -21.050 80.334 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.861 -20.821 77.925 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.181 -22.257 78.877 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.843 -22.100 76.925 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.436 -22.633 76.426 1.00 0.00 H new ATOM 412 N ASP A 27 3.505 -19.024 79.754 1.00 0.00 N ATOM 413 CA ASP A 27 2.871 -17.735 79.362 1.00 0.00 C ATOM 414 C ASP A 27 3.531 -16.616 80.162 1.00 0.00 C ATOM 415 O ASP A 27 2.884 -15.689 80.609 1.00 0.00 O ATOM 416 CB ASP A 27 1.374 -17.766 79.676 1.00 0.00 C ATOM 417 CG ASP A 27 0.638 -18.556 78.593 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.437 -18.009 77.522 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.285 -19.694 78.856 1.00 0.00 O ATOM 0 H ASP A 27 3.820 -19.070 80.723 1.00 0.00 H new ATOM 0 HA ASP A 27 3.000 -17.571 78.292 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.206 -18.223 80.651 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.982 -16.750 79.729 1.00 0.00 H new ATOM 424 N VAL A 28 4.818 -16.707 80.359 1.00 0.00 N ATOM 425 CA VAL A 28 5.531 -15.662 81.146 1.00 0.00 C ATOM 426 C VAL A 28 6.127 -14.618 80.199 1.00 0.00 C ATOM 427 O VAL A 28 7.317 -14.372 80.185 1.00 0.00 O ATOM 428 CB VAL A 28 6.635 -16.325 81.967 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.993 -17.218 83.026 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.512 -17.179 81.051 1.00 0.00 C ATOM 0 H VAL A 28 5.407 -17.462 80.008 1.00 0.00 H new ATOM 0 HA VAL A 28 4.833 -15.163 81.818 1.00 0.00 H new ATOM 0 HB VAL A 28 7.249 -15.561 82.444 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.772 -17.697 83.619 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.361 -16.614 83.677 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.386 -17.982 82.539 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.299 -17.652 81.638 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.902 -17.948 80.577 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.961 -16.547 80.284 1.00 0.00 H new ATOM 440 N ASN A 29 5.293 -13.998 79.413 1.00 0.00 N ATOM 441 CA ASN A 29 5.763 -12.963 78.463 1.00 0.00 C ATOM 442 C ASN A 29 4.536 -12.362 77.774 1.00 0.00 C ATOM 443 O ASN A 29 4.502 -12.183 76.571 1.00 0.00 O ATOM 444 CB ASN A 29 6.685 -13.596 77.423 1.00 0.00 C ATOM 445 CG ASN A 29 6.142 -14.963 77.011 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.381 -15.998 77.764 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.497 -15.091 75.989 1.00 0.00 N flip ATOM 0 H ASN A 29 4.288 -14.171 79.392 1.00 0.00 H new ATOM 0 HA ASN A 29 6.318 -12.187 78.991 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.763 -12.948 76.550 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.690 -13.702 77.832 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.310 -14.280 75.399 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.143 -16.009 75.721 1.00 0.00 H new ATOM 454 N ARG A 30 3.519 -12.064 78.541 1.00 0.00 N ATOM 455 CA ARG A 30 2.269 -11.489 77.971 1.00 0.00 C ATOM 456 C ARG A 30 2.199 -9.994 78.289 1.00 0.00 C ATOM 457 O ARG A 30 2.187 -9.592 79.435 1.00 0.00 O ATOM 458 CB ARG A 30 1.064 -12.194 78.599 1.00 0.00 C ATOM 459 CG ARG A 30 1.123 -13.703 78.304 1.00 0.00 C ATOM 460 CD ARG A 30 -0.294 -14.252 78.109 1.00 0.00 C ATOM 461 NE ARG A 30 -1.252 -13.517 78.996 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.020 -13.377 80.274 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.004 -13.977 80.831 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.829 -12.659 81.005 1.00 0.00 N ATOM 0 H ARG A 30 3.504 -12.198 79.552 1.00 0.00 H new ATOM 0 HA ARG A 30 2.262 -11.630 76.890 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.055 -12.026 79.676 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.140 -11.774 78.203 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.719 -13.884 77.410 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.614 -14.224 79.126 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.595 -14.145 77.067 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.316 -15.317 78.339 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.101 -13.119 78.595 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.615 -14.560 80.268 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.171 -13.863 81.829 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.639 -12.210 80.578 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.651 -12.547 82.003 1.00 0.00 H new ATOM 478 N THR A 31 2.151 -9.171 77.281 1.00 0.00 N ATOM 479 CA THR A 31 2.082 -7.705 77.527 1.00 0.00 C ATOM 480 C THR A 31 0.845 -7.384 78.377 1.00 0.00 C ATOM 481 O THR A 31 -0.259 -7.284 77.879 1.00 0.00 O ATOM 482 CB THR A 31 2.009 -6.960 76.186 1.00 0.00 C ATOM 483 OG1 THR A 31 2.641 -7.738 75.180 1.00 0.00 O ATOM 484 CG2 THR A 31 2.720 -5.611 76.309 1.00 0.00 C ATOM 0 H THR A 31 2.157 -9.449 76.300 1.00 0.00 H new ATOM 0 HA THR A 31 2.975 -7.383 78.063 1.00 0.00 H new ATOM 0 HB THR A 31 0.965 -6.795 75.919 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.594 -7.265 74.323 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.667 -5.084 75.356 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.236 -5.014 77.082 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.764 -5.773 76.577 1.00 0.00 H new ATOM 492 N LEU A 32 1.030 -7.230 79.660 1.00 0.00 N ATOM 493 CA LEU A 32 -0.117 -6.923 80.568 1.00 0.00 C ATOM 494 C LEU A 32 -1.063 -5.894 79.947 1.00 0.00 C ATOM 495 O LEU A 32 -2.021 -6.223 79.278 1.00 0.00 O ATOM 496 CB LEU A 32 0.416 -6.310 81.864 1.00 0.00 C ATOM 497 CG LEU A 32 0.812 -7.392 82.872 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.190 -7.054 83.437 1.00 0.00 C ATOM 499 CD2 LEU A 32 -0.210 -7.412 84.014 1.00 0.00 C ATOM 0 H LEU A 32 1.935 -7.304 80.124 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.651 -7.856 80.747 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.280 -5.683 81.643 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.344 -5.663 82.302 1.00 0.00 H new ATOM 0 HG LEU A 32 0.837 -8.367 82.385 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.485 -7.817 84.157 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.917 -7.020 82.626 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.152 -6.083 83.932 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.066 -8.181 84.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.224 -6.440 84.507 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.200 -7.630 83.613 1.00 0.00 H new ATOM 511 N GLU A 33 -0.818 -4.645 80.238 1.00 0.00 N ATOM 512 CA GLU A 33 -1.709 -3.556 79.755 1.00 0.00 C ATOM 513 C GLU A 33 -1.410 -3.172 78.301 1.00 0.00 C ATOM 514 O GLU A 33 -2.312 -3.041 77.502 1.00 0.00 O ATOM 515 CB GLU A 33 -1.526 -2.337 80.665 1.00 0.00 C ATOM 516 CG GLU A 33 -0.228 -1.605 80.305 1.00 0.00 C ATOM 517 CD GLU A 33 0.169 -0.665 81.446 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.333 -1.146 82.556 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.307 0.520 81.190 1.00 0.00 O ATOM 0 H GLU A 33 -0.026 -4.331 80.798 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.739 -3.910 79.788 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.375 -1.662 80.558 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.498 -2.652 81.708 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.568 -2.326 80.122 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.363 -1.038 79.384 1.00 0.00 H new ATOM 526 N GLY A 34 -0.170 -2.969 77.942 1.00 0.00 N ATOM 527 CA GLY A 34 0.117 -2.573 76.530 1.00 0.00 C ATOM 528 C GLY A 34 1.610 -2.689 76.226 1.00 0.00 C ATOM 529 O GLY A 34 2.008 -2.873 75.094 1.00 0.00 O ATOM 0 H GLY A 34 0.643 -3.058 78.551 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.448 -3.208 75.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.215 -1.549 76.360 1.00 0.00 H new ATOM 533 N GLY A 35 2.441 -2.578 77.221 1.00 0.00 N ATOM 534 CA GLY A 35 3.909 -2.678 76.977 1.00 0.00 C ATOM 535 C GLY A 35 4.630 -3.005 78.288 1.00 0.00 C ATOM 536 O GLY A 35 5.659 -2.434 78.601 1.00 0.00 O ATOM 0 H GLY A 35 2.171 -2.423 78.192 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.112 -3.452 76.236 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.284 -1.740 76.569 1.00 0.00 H new ATOM 540 N ARG A 36 4.096 -3.913 79.066 1.00 0.00 N ATOM 541 CA ARG A 36 4.743 -4.265 80.364 1.00 0.00 C ATOM 542 C ARG A 36 4.793 -5.785 80.527 1.00 0.00 C ATOM 543 O ARG A 36 3.889 -6.496 80.136 1.00 0.00 O ATOM 544 CB ARG A 36 3.940 -3.658 81.523 1.00 0.00 C ATOM 545 CG ARG A 36 3.551 -2.208 81.202 1.00 0.00 C ATOM 546 CD ARG A 36 4.755 -1.286 81.416 1.00 0.00 C ATOM 547 NE ARG A 36 4.942 -1.043 82.874 1.00 0.00 N ATOM 548 CZ ARG A 36 6.070 -0.554 83.311 1.00 0.00 C ATOM 549 NH1 ARG A 36 7.033 -0.286 82.474 1.00 0.00 N ATOM 550 NH2 ARG A 36 6.233 -0.329 84.587 1.00 0.00 N ATOM 0 H ARG A 36 3.239 -4.425 78.857 1.00 0.00 H new ATOM 0 HA ARG A 36 5.758 -3.867 80.373 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.043 -4.251 81.702 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.531 -3.689 82.439 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.205 -2.135 80.171 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.724 -1.895 81.839 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.652 -1.738 80.994 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.600 -0.341 80.896 1.00 0.00 H new ATOM 0 HE ARG A 36 4.190 -1.258 83.529 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.905 -0.459 81.477 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.915 0.096 82.816 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.479 -0.536 85.242 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.115 0.053 84.929 1.00 0.00 H new ATOM 564 N LYS A 37 5.849 -6.278 81.115 1.00 0.00 N ATOM 565 CA LYS A 37 5.990 -7.750 81.330 1.00 0.00 C ATOM 566 C LYS A 37 5.730 -8.073 82.818 1.00 0.00 C ATOM 567 O LYS A 37 6.015 -7.263 83.675 1.00 0.00 O ATOM 568 CB LYS A 37 7.412 -8.186 80.946 1.00 0.00 C ATOM 569 CG LYS A 37 8.415 -7.707 82.002 1.00 0.00 C ATOM 570 CD LYS A 37 8.355 -6.183 82.118 1.00 0.00 C ATOM 571 CE LYS A 37 9.606 -5.672 82.833 1.00 0.00 C ATOM 572 NZ LYS A 37 9.594 -4.181 82.855 1.00 0.00 N ATOM 0 H LYS A 37 6.629 -5.719 81.460 1.00 0.00 H new ATOM 0 HA LYS A 37 5.269 -8.285 80.711 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.456 -9.272 80.858 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.675 -7.776 79.971 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.189 -8.164 82.966 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.422 -8.021 81.729 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.282 -5.736 81.127 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.462 -5.885 82.668 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.640 -6.061 83.851 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.501 -6.031 82.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.255 -3.839 83.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.884 -3.818 81.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.634 -3.845 83.074 1.00 0.00 H new ATOM 586 N PRO A 38 5.186 -9.239 83.091 1.00 0.00 N ATOM 587 CA PRO A 38 4.884 -9.659 84.480 1.00 0.00 C ATOM 588 C PRO A 38 6.174 -9.850 85.290 1.00 0.00 C ATOM 589 O PRO A 38 6.285 -10.766 86.078 1.00 0.00 O ATOM 590 CB PRO A 38 4.140 -11.000 84.328 1.00 0.00 C ATOM 591 CG PRO A 38 4.239 -11.420 82.840 1.00 0.00 C ATOM 592 CD PRO A 38 4.828 -10.230 82.059 1.00 0.00 C ATOM 0 HA PRO A 38 4.295 -8.913 85.013 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.584 -11.760 84.971 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.097 -10.897 84.629 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.873 -12.300 82.732 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.256 -11.685 82.451 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.701 -10.531 81.480 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.103 -9.822 81.354 1.00 0.00 H new ATOM 600 N LEU A 39 7.154 -9.005 85.111 1.00 0.00 N ATOM 601 CA LEU A 39 8.423 -9.174 85.883 1.00 0.00 C ATOM 602 C LEU A 39 8.723 -7.893 86.677 1.00 0.00 C ATOM 603 O LEU A 39 9.460 -7.906 87.645 1.00 0.00 O ATOM 604 CB LEU A 39 9.564 -9.467 84.895 1.00 0.00 C ATOM 605 CG LEU A 39 10.797 -10.112 85.579 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.450 -10.767 86.921 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.393 -11.181 84.654 1.00 0.00 C ATOM 0 H LEU A 39 7.134 -8.212 84.470 1.00 0.00 H new ATOM 0 HA LEU A 39 8.326 -10.001 86.586 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.199 -10.131 84.112 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.867 -8.539 84.410 1.00 0.00 H new ATOM 0 HG LEU A 39 11.512 -9.312 85.770 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.349 -11.203 87.356 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.046 -10.015 87.599 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.708 -11.549 86.763 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.260 -11.635 85.134 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.645 -11.948 84.455 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.698 -10.720 83.715 1.00 0.00 H new ATOM 619 N HIS A 40 8.159 -6.784 86.279 1.00 0.00 N ATOM 620 CA HIS A 40 8.421 -5.509 87.014 1.00 0.00 C ATOM 621 C HIS A 40 7.643 -5.504 88.329 1.00 0.00 C ATOM 622 O HIS A 40 8.156 -5.130 89.365 1.00 0.00 O ATOM 623 CB HIS A 40 7.973 -4.325 86.155 1.00 0.00 C ATOM 624 CG HIS A 40 8.322 -3.036 86.849 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.460 -2.310 86.532 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.691 -2.327 87.842 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.478 -1.219 87.321 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.422 -1.180 88.138 1.00 0.00 N ATOM 0 H HIS A 40 7.530 -6.704 85.480 1.00 0.00 H new ATOM 0 HA HIS A 40 9.487 -5.426 87.224 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.457 -4.367 85.179 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.898 -4.376 85.980 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.767 -2.616 88.321 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.252 -0.467 87.296 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.199 -0.464 88.830 1.00 0.00 H new ATOM 636 N TYR A 41 6.414 -5.928 88.300 1.00 0.00 N ATOM 637 CA TYR A 41 5.605 -5.963 89.549 1.00 0.00 C ATOM 638 C TYR A 41 6.191 -7.042 90.448 1.00 0.00 C ATOM 639 O TYR A 41 6.318 -6.880 91.644 1.00 0.00 O ATOM 640 CB TYR A 41 4.162 -6.312 89.191 1.00 0.00 C ATOM 641 CG TYR A 41 3.832 -5.639 87.894 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.230 -6.223 86.687 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.157 -4.421 87.894 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.952 -5.584 85.476 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.874 -3.781 86.686 1.00 0.00 C ATOM 646 CZ TYR A 41 3.271 -4.361 85.473 1.00 0.00 C ATOM 647 OH TYR A 41 2.993 -3.726 84.280 1.00 0.00 O ATOM 0 H TYR A 41 5.931 -6.254 87.462 1.00 0.00 H new ATOM 0 HA TYR A 41 5.622 -4.999 90.058 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.042 -7.392 89.102 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.483 -5.980 89.976 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.752 -7.168 86.691 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.853 -3.972 88.828 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.262 -6.033 84.544 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.348 -2.838 86.686 1.00 0.00 H new ATOM 0 HH TYR A 41 2.515 -2.889 84.458 1.00 0.00 H new ATOM 657 N ALA A 42 6.574 -8.137 89.856 1.00 0.00 N ATOM 658 CA ALA A 42 7.184 -9.239 90.637 1.00 0.00 C ATOM 659 C ALA A 42 8.542 -8.773 91.134 1.00 0.00 C ATOM 660 O ALA A 42 8.834 -8.809 92.309 1.00 0.00 O ATOM 661 CB ALA A 42 7.373 -10.458 89.731 1.00 0.00 C ATOM 0 H ALA A 42 6.488 -8.314 88.855 1.00 0.00 H new ATOM 0 HA ALA A 42 6.542 -9.508 91.476 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.822 -11.270 90.303 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.405 -10.778 89.345 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.027 -10.195 88.899 1.00 0.00 H new ATOM 667 N ALA A 43 9.376 -8.323 90.245 1.00 0.00 N ATOM 668 CA ALA A 43 10.714 -7.847 90.673 1.00 0.00 C ATOM 669 C ALA A 43 10.527 -6.710 91.677 1.00 0.00 C ATOM 670 O ALA A 43 10.992 -6.769 92.799 1.00 0.00 O ATOM 671 CB ALA A 43 11.486 -7.330 89.455 1.00 0.00 C ATOM 0 H ALA A 43 9.190 -8.264 89.244 1.00 0.00 H new ATOM 0 HA ALA A 43 11.273 -8.663 91.131 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.469 -6.980 89.769 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.602 -8.135 88.729 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.937 -6.507 88.999 1.00 0.00 H new ATOM 677 N ASP A 44 9.842 -5.678 91.274 1.00 0.00 N ATOM 678 CA ASP A 44 9.611 -4.516 92.175 1.00 0.00 C ATOM 679 C ASP A 44 9.014 -4.957 93.514 1.00 0.00 C ATOM 680 O ASP A 44 9.338 -4.410 94.547 1.00 0.00 O ATOM 681 CB ASP A 44 8.646 -3.543 91.499 1.00 0.00 C ATOM 682 CG ASP A 44 8.464 -2.308 92.382 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.216 -2.480 93.564 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.576 -1.211 91.862 1.00 0.00 O ATOM 0 H ASP A 44 9.427 -5.589 90.347 1.00 0.00 H new ATOM 0 HA ASP A 44 10.571 -4.037 92.367 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.032 -3.251 90.522 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.684 -4.027 91.330 1.00 0.00 H new ATOM 689 N CYS A 45 8.135 -5.922 93.514 1.00 0.00 N ATOM 690 CA CYS A 45 7.517 -6.349 94.805 1.00 0.00 C ATOM 691 C CYS A 45 6.898 -7.733 94.655 1.00 0.00 C ATOM 692 O CYS A 45 5.700 -7.902 94.773 1.00 0.00 O ATOM 693 CB CYS A 45 6.403 -5.373 95.179 1.00 0.00 C ATOM 694 SG CYS A 45 7.112 -3.801 95.724 1.00 0.00 S ATOM 0 H CYS A 45 7.820 -6.429 92.687 1.00 0.00 H new ATOM 0 HA CYS A 45 8.290 -6.367 95.574 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.750 -5.209 94.322 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.788 -5.798 95.972 1.00 0.00 H new ATOM 0 HG CYS A 45 8.023 -3.420 94.879 1.00 0.00 H new ATOM 700 N GLY A 46 7.702 -8.722 94.400 1.00 0.00 N ATOM 701 CA GLY A 46 7.162 -10.103 94.247 1.00 0.00 C ATOM 702 C GLY A 46 7.680 -10.974 95.385 1.00 0.00 C ATOM 703 O GLY A 46 7.957 -12.143 95.204 1.00 0.00 O ATOM 0 H GLY A 46 8.712 -8.637 94.290 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.072 -10.083 94.256 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.465 -10.520 93.287 1.00 0.00 H new ATOM 707 N GLN A 47 7.841 -10.421 96.554 1.00 0.00 N ATOM 708 CA GLN A 47 8.371 -11.241 97.674 1.00 0.00 C ATOM 709 C GLN A 47 9.670 -11.883 97.190 1.00 0.00 C ATOM 710 O GLN A 47 10.246 -12.738 97.831 1.00 0.00 O ATOM 711 CB GLN A 47 7.349 -12.312 98.057 1.00 0.00 C ATOM 712 CG GLN A 47 6.350 -11.734 99.064 1.00 0.00 C ATOM 713 CD GLN A 47 5.804 -10.395 98.556 1.00 0.00 C ATOM 714 OE1 GLN A 47 6.556 -9.475 98.303 1.00 0.00 O ATOM 715 NE2 GLN A 47 4.516 -10.242 98.401 1.00 0.00 N ATOM 0 H GLN A 47 7.631 -9.449 96.780 1.00 0.00 H new ATOM 0 HA GLN A 47 8.559 -10.629 98.556 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.824 -12.662 97.168 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.856 -13.175 98.488 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.530 -12.435 99.217 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.835 -11.595 100.030 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.882 -11.012 98.612 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.144 -9.352 98.068 1.00 0.00 H new ATOM 724 N LEU A 48 10.127 -11.432 96.055 1.00 0.00 N ATOM 725 CA LEU A 48 11.394 -11.929 95.456 1.00 0.00 C ATOM 726 C LEU A 48 11.280 -13.392 95.045 1.00 0.00 C ATOM 727 O LEU A 48 12.210 -13.980 94.532 1.00 0.00 O ATOM 728 CB LEU A 48 12.536 -11.736 96.443 1.00 0.00 C ATOM 729 CG LEU A 48 12.940 -10.244 96.526 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.105 -9.358 95.578 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.751 -9.742 97.962 1.00 0.00 C ATOM 0 H LEU A 48 9.657 -10.716 95.501 1.00 0.00 H new ATOM 0 HA LEU A 48 11.598 -11.353 94.553 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.236 -12.092 97.428 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.394 -12.334 96.136 1.00 0.00 H new ATOM 0 HG LEU A 48 13.985 -10.174 96.223 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.426 -8.321 95.673 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.248 -9.690 94.550 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.050 -9.437 95.841 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.035 -8.691 98.021 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.706 -9.852 98.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.377 -10.326 98.637 1.00 0.00 H new ATOM 743 N GLU A 49 10.152 -13.982 95.242 1.00 0.00 N ATOM 744 CA GLU A 49 9.975 -15.389 94.826 1.00 0.00 C ATOM 745 C GLU A 49 9.298 -15.422 93.452 1.00 0.00 C ATOM 746 O GLU A 49 9.565 -16.271 92.625 1.00 0.00 O ATOM 747 CB GLU A 49 9.088 -16.113 95.829 1.00 0.00 C ATOM 748 CG GLU A 49 9.481 -15.733 97.257 1.00 0.00 C ATOM 749 CD GLU A 49 8.705 -16.612 98.241 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.499 -16.712 98.088 1.00 0.00 O ATOM 751 OE2 GLU A 49 9.328 -17.171 99.129 1.00 0.00 O ATOM 0 H GLU A 49 9.336 -13.551 95.676 1.00 0.00 H new ATOM 0 HA GLU A 49 10.948 -15.878 94.779 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.043 -15.857 95.652 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.180 -17.191 95.694 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.553 -15.865 97.400 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.263 -14.681 97.440 1.00 0.00 H new ATOM 758 N ILE A 50 8.396 -14.513 93.228 1.00 0.00 N ATOM 759 CA ILE A 50 7.650 -14.483 91.942 1.00 0.00 C ATOM 760 C ILE A 50 8.573 -14.199 90.762 1.00 0.00 C ATOM 761 O ILE A 50 8.394 -14.734 89.688 1.00 0.00 O ATOM 762 CB ILE A 50 6.598 -13.378 92.021 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.752 -13.565 93.301 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.719 -13.422 90.765 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.251 -13.475 92.995 1.00 0.00 C ATOM 0 H ILE A 50 8.140 -13.780 93.889 1.00 0.00 H new ATOM 0 HA ILE A 50 7.191 -15.459 91.785 1.00 0.00 H new ATOM 0 HB ILE A 50 7.081 -12.402 92.069 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.976 -14.533 93.750 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.022 -12.804 94.033 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.967 -12.634 90.819 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.339 -13.272 89.881 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.225 -14.391 90.701 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.683 -13.611 93.916 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.024 -12.497 92.570 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.978 -14.253 92.282 1.00 0.00 H new ATOM 777 N LEU A 51 9.535 -13.346 90.929 1.00 0.00 N ATOM 778 CA LEU A 51 10.409 -13.033 89.777 1.00 0.00 C ATOM 779 C LEU A 51 11.154 -14.292 89.315 1.00 0.00 C ATOM 780 O LEU A 51 11.047 -14.682 88.176 1.00 0.00 O ATOM 781 CB LEU A 51 11.405 -11.882 90.070 1.00 0.00 C ATOM 782 CG LEU A 51 11.626 -11.595 91.566 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.328 -11.190 92.272 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.247 -12.812 92.236 1.00 0.00 C ATOM 0 H LEU A 51 9.752 -12.859 91.798 1.00 0.00 H new ATOM 0 HA LEU A 51 9.761 -12.684 88.973 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.365 -12.124 89.614 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.043 -10.974 89.588 1.00 0.00 H new ATOM 0 HG LEU A 51 12.309 -10.749 91.649 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.532 -10.997 93.325 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.928 -10.288 91.809 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.600 -11.996 92.185 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.402 -12.605 93.295 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.580 -13.667 92.127 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.205 -13.037 91.766 1.00 0.00 H new ATOM 796 N GLU A 52 11.913 -14.927 90.162 1.00 0.00 N ATOM 797 CA GLU A 52 12.644 -16.146 89.700 1.00 0.00 C ATOM 798 C GLU A 52 11.652 -17.229 89.252 1.00 0.00 C ATOM 799 O GLU A 52 11.991 -18.092 88.475 1.00 0.00 O ATOM 800 CB GLU A 52 13.597 -16.720 90.778 1.00 0.00 C ATOM 801 CG GLU A 52 13.163 -16.359 92.204 1.00 0.00 C ATOM 802 CD GLU A 52 12.116 -17.362 92.697 1.00 0.00 C ATOM 803 OE1 GLU A 52 11.280 -17.753 91.900 1.00 0.00 O ATOM 804 OE2 GLU A 52 12.169 -17.718 93.860 1.00 0.00 O ATOM 0 H GLU A 52 12.060 -14.664 91.137 1.00 0.00 H new ATOM 0 HA GLU A 52 13.260 -15.838 88.855 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.640 -17.805 90.679 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.605 -16.344 90.603 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.027 -16.364 92.869 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.751 -15.350 92.224 1.00 0.00 H new ATOM 811 N PHE A 53 10.444 -17.214 89.755 1.00 0.00 N ATOM 812 CA PHE A 53 9.460 -18.272 89.374 1.00 0.00 C ATOM 813 C PHE A 53 9.115 -18.230 87.888 1.00 0.00 C ATOM 814 O PHE A 53 9.545 -19.061 87.123 1.00 0.00 O ATOM 815 CB PHE A 53 8.165 -18.080 90.159 1.00 0.00 C ATOM 816 CG PHE A 53 7.074 -18.878 89.486 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.175 -20.271 89.411 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.976 -18.223 88.914 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.179 -21.010 88.762 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.979 -18.962 88.269 1.00 0.00 C ATOM 821 CZ PHE A 53 5.081 -20.354 88.193 1.00 0.00 C ATOM 0 H PHE A 53 10.097 -16.516 90.412 1.00 0.00 H new ATOM 0 HA PHE A 53 9.923 -19.232 89.602 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.295 -18.410 91.190 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.896 -17.024 90.193 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.021 -20.776 89.854 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.899 -17.147 88.971 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.258 -22.085 88.700 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.131 -18.458 87.830 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.311 -20.924 87.694 1.00 0.00 H new ATOM 831 N LEU A 54 8.294 -17.304 87.482 1.00 0.00 N ATOM 832 CA LEU A 54 7.893 -17.267 86.051 1.00 0.00 C ATOM 833 C LEU A 54 9.141 -17.172 85.180 1.00 0.00 C ATOM 834 O LEU A 54 9.093 -17.389 83.984 1.00 0.00 O ATOM 835 CB LEU A 54 6.956 -16.082 85.768 1.00 0.00 C ATOM 836 CG LEU A 54 7.124 -14.985 86.813 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.580 -14.538 86.858 1.00 0.00 C ATOM 838 CD2 LEU A 54 6.233 -13.799 86.434 1.00 0.00 C ATOM 0 H LEU A 54 7.887 -16.578 88.072 1.00 0.00 H new ATOM 0 HA LEU A 54 7.351 -18.183 85.816 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.164 -15.679 84.777 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.922 -16.426 85.761 1.00 0.00 H new ATOM 0 HG LEU A 54 6.838 -15.363 87.794 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.697 -13.754 87.606 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.213 -15.386 87.119 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.873 -14.154 85.881 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.345 -13.008 87.175 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.526 -13.422 85.454 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.192 -14.121 86.402 1.00 0.00 H new ATOM 850 N LEU A 55 10.263 -16.866 85.767 1.00 0.00 N ATOM 851 CA LEU A 55 11.514 -16.778 84.969 1.00 0.00 C ATOM 852 C LEU A 55 12.006 -18.199 84.670 1.00 0.00 C ATOM 853 O LEU A 55 12.604 -18.461 83.645 1.00 0.00 O ATOM 854 CB LEU A 55 12.571 -16.008 85.769 1.00 0.00 C ATOM 855 CG LEU A 55 13.613 -15.390 84.828 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.523 -14.455 85.632 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.457 -16.494 84.171 1.00 0.00 C ATOM 0 H LEU A 55 10.367 -16.673 86.763 1.00 0.00 H new ATOM 0 HA LEU A 55 11.331 -16.253 84.032 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.092 -15.224 86.355 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.062 -16.679 86.474 1.00 0.00 H new ATOM 0 HG LEU A 55 13.103 -14.828 84.046 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.266 -14.012 84.969 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.924 -13.665 86.085 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.027 -15.022 86.415 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.193 -16.042 83.506 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.970 -17.068 84.943 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.808 -17.156 83.598 1.00 0.00 H new ATOM 869 N LEU A 56 11.735 -19.124 85.555 1.00 0.00 N ATOM 870 CA LEU A 56 12.161 -20.533 85.326 1.00 0.00 C ATOM 871 C LEU A 56 11.603 -20.986 83.990 1.00 0.00 C ATOM 872 O LEU A 56 12.316 -21.440 83.118 1.00 0.00 O ATOM 873 CB LEU A 56 11.591 -21.455 86.415 1.00 0.00 C ATOM 874 CG LEU A 56 11.962 -20.957 87.810 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.622 -22.046 88.827 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.458 -20.644 87.881 1.00 0.00 C ATOM 0 H LEU A 56 11.235 -18.961 86.429 1.00 0.00 H new ATOM 0 HA LEU A 56 13.250 -20.583 85.345 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.506 -21.506 86.321 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.971 -22.467 86.274 1.00 0.00 H new ATOM 0 HG LEU A 56 11.403 -20.047 88.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.882 -21.703 89.828 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.555 -22.264 88.784 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.186 -22.949 88.595 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.709 -20.290 88.881 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.029 -21.546 87.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.703 -19.873 87.151 1.00 0.00 H new ATOM 888 N LYS A 57 10.326 -20.857 83.828 1.00 0.00 N ATOM 889 CA LYS A 57 9.705 -21.277 82.551 1.00 0.00 C ATOM 890 C LYS A 57 10.316 -20.432 81.430 1.00 0.00 C ATOM 891 O LYS A 57 11.457 -20.625 81.059 1.00 0.00 O ATOM 892 CB LYS A 57 8.178 -21.074 82.635 1.00 0.00 C ATOM 893 CG LYS A 57 7.470 -22.412 82.956 1.00 0.00 C ATOM 894 CD LYS A 57 6.781 -22.333 84.323 1.00 0.00 C ATOM 895 CE LYS A 57 7.830 -22.358 85.436 1.00 0.00 C ATOM 896 NZ LYS A 57 8.762 -23.504 85.228 1.00 0.00 N ATOM 0 H LYS A 57 9.683 -20.479 84.524 1.00 0.00 H new ATOM 0 HA LYS A 57 9.892 -22.332 82.350 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.945 -20.339 83.405 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.806 -20.676 81.691 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.735 -22.637 82.183 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.196 -23.225 82.953 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.189 -21.420 84.390 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.092 -23.169 84.442 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.387 -21.421 85.444 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.342 -22.446 86.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.127 -23.826 86.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.254 -24.284 84.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.555 -23.202 84.627 1.00 0.00 H new ATOM 910 N GLY A 58 9.599 -19.486 80.901 1.00 0.00 N ATOM 911 CA GLY A 58 10.188 -18.643 79.836 1.00 0.00 C ATOM 912 C GLY A 58 11.209 -17.716 80.489 1.00 0.00 C ATOM 913 O GLY A 58 11.921 -18.119 81.386 1.00 0.00 O ATOM 0 H GLY A 58 8.638 -19.262 81.159 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.665 -19.263 79.077 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.413 -18.065 79.334 1.00 0.00 H new ATOM 917 N ALA A 59 11.277 -16.478 80.077 1.00 0.00 N ATOM 918 CA ALA A 59 12.253 -15.542 80.713 1.00 0.00 C ATOM 919 C ALA A 59 12.176 -14.152 80.082 1.00 0.00 C ATOM 920 O ALA A 59 12.964 -13.803 79.225 1.00 0.00 O ATOM 921 CB ALA A 59 13.677 -16.080 80.555 1.00 0.00 C ATOM 0 H ALA A 59 10.705 -16.076 79.334 1.00 0.00 H new ATOM 0 HA ALA A 59 11.998 -15.465 81.770 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.380 -15.390 81.022 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.753 -17.056 81.035 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.914 -16.178 79.495 1.00 0.00 H new ATOM 927 N ASP A 60 11.261 -13.340 80.540 1.00 0.00 N ATOM 928 CA ASP A 60 11.163 -11.953 80.014 1.00 0.00 C ATOM 929 C ASP A 60 12.341 -11.184 80.606 1.00 0.00 C ATOM 930 O ASP A 60 12.500 -9.994 80.425 1.00 0.00 O ATOM 931 CB ASP A 60 9.835 -11.323 80.456 1.00 0.00 C ATOM 932 CG ASP A 60 9.474 -10.160 79.529 1.00 0.00 C ATOM 933 OD1 ASP A 60 9.977 -9.073 79.752 1.00 0.00 O ATOM 934 OD2 ASP A 60 8.693 -10.375 78.617 1.00 0.00 O ATOM 0 H ASP A 60 10.577 -13.581 81.257 1.00 0.00 H new ATOM 0 HA ASP A 60 11.192 -11.933 78.925 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.044 -12.072 80.438 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.915 -10.969 81.484 1.00 0.00 H new ATOM 939 N ILE A 61 13.163 -11.899 81.321 1.00 0.00 N ATOM 940 CA ILE A 61 14.363 -11.307 81.969 1.00 0.00 C ATOM 941 C ILE A 61 15.166 -10.486 80.957 1.00 0.00 C ATOM 942 O ILE A 61 15.959 -9.640 81.323 1.00 0.00 O ATOM 943 CB ILE A 61 15.230 -12.466 82.478 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.384 -11.940 83.342 1.00 0.00 C ATOM 945 CG2 ILE A 61 15.802 -13.232 81.282 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.427 -13.050 83.551 1.00 0.00 C ATOM 0 H ILE A 61 13.048 -12.899 81.487 1.00 0.00 H new ATOM 0 HA ILE A 61 14.062 -10.649 82.784 1.00 0.00 H new ATOM 0 HB ILE A 61 14.611 -13.126 83.085 1.00 0.00 H new ATOM 0 HG12 ILE A 61 16.848 -11.079 82.861 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.003 -11.600 84.305 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.419 -14.057 81.639 1.00 0.00 H new ATOM 0 HG22 ILE A 61 14.985 -13.626 80.677 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.410 -12.560 80.677 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.244 -12.671 84.165 1.00 0.00 H new ATOM 0 HD12 ILE A 61 16.960 -13.898 84.052 1.00 0.00 H new ATOM 0 HD13 ILE A 61 17.817 -13.369 82.585 1.00 0.00 H new ATOM 958 N ASN A 62 14.985 -10.745 79.692 1.00 0.00 N ATOM 959 CA ASN A 62 15.766 -10.008 78.652 1.00 0.00 C ATOM 960 C ASN A 62 14.861 -9.601 77.478 1.00 0.00 C ATOM 961 O ASN A 62 15.075 -8.590 76.834 1.00 0.00 O ATOM 962 CB ASN A 62 16.870 -10.927 78.128 1.00 0.00 C ATOM 963 CG ASN A 62 16.241 -12.206 77.569 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.273 -12.786 78.228 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 16.629 -12.679 76.520 1.00 0.00 N flip ATOM 0 H ASN A 62 14.329 -11.437 79.330 1.00 0.00 H new ATOM 0 HA ASN A 62 16.189 -9.108 79.098 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.443 -10.420 77.351 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.567 -11.171 78.930 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.385 -12.227 76.005 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.199 -13.529 76.154 1.00 0.00 H new ATOM 972 N ALA A 63 13.859 -10.396 77.214 1.00 0.00 N ATOM 973 CA ALA A 63 12.884 -10.137 76.098 1.00 0.00 C ATOM 974 C ALA A 63 12.812 -8.653 75.679 1.00 0.00 C ATOM 975 O ALA A 63 12.930 -8.356 74.504 1.00 0.00 O ATOM 976 CB ALA A 63 11.494 -10.601 76.547 1.00 0.00 C ATOM 0 H ALA A 63 13.664 -11.247 77.742 1.00 0.00 H new ATOM 0 HA ALA A 63 13.233 -10.692 75.227 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.774 -10.420 75.748 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.522 -11.666 76.775 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.195 -10.047 77.437 1.00 0.00 H new ATOM 982 N PRO A 64 12.597 -7.758 76.622 1.00 0.00 N ATOM 983 CA PRO A 64 12.471 -6.315 76.362 1.00 0.00 C ATOM 984 C PRO A 64 13.055 -5.848 75.022 1.00 0.00 C ATOM 985 O PRO A 64 14.131 -6.222 74.602 1.00 0.00 O ATOM 986 CB PRO A 64 13.173 -5.712 77.576 1.00 0.00 C ATOM 987 CG PRO A 64 12.994 -6.754 78.720 1.00 0.00 C ATOM 988 CD PRO A 64 12.482 -8.056 78.059 1.00 0.00 C ATOM 0 HA PRO A 64 11.433 -6.000 76.251 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.228 -5.533 77.370 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.733 -4.752 77.847 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.938 -6.928 79.237 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.285 -6.393 79.465 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.085 -8.918 78.343 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.454 -8.278 78.345 1.00 0.00 H new ATOM 996 N ASP A 65 12.299 -4.995 74.370 1.00 0.00 N ATOM 997 CA ASP A 65 12.694 -4.411 73.061 1.00 0.00 C ATOM 998 C ASP A 65 12.208 -2.957 73.053 1.00 0.00 C ATOM 999 O ASP A 65 12.932 -2.041 72.716 1.00 0.00 O ATOM 1000 CB ASP A 65 11.998 -5.178 71.931 1.00 0.00 C ATOM 1001 CG ASP A 65 12.719 -6.505 71.679 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.921 -6.476 71.483 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.050 -7.525 71.686 1.00 0.00 O ATOM 0 H ASP A 65 11.393 -4.673 74.710 1.00 0.00 H new ATOM 0 HA ASP A 65 13.773 -4.468 72.917 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.957 -5.364 72.194 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.994 -4.578 71.021 1.00 0.00 H new ATOM 1008 N LYS A 66 10.973 -2.756 73.445 1.00 0.00 N ATOM 1009 CA LYS A 66 10.396 -1.392 73.499 1.00 0.00 C ATOM 1010 C LYS A 66 10.639 -0.800 74.888 1.00 0.00 C ATOM 1011 O LYS A 66 10.700 0.401 75.068 1.00 0.00 O ATOM 1012 CB LYS A 66 8.898 -1.491 73.240 1.00 0.00 C ATOM 1013 CG LYS A 66 8.374 -0.129 72.808 1.00 0.00 C ATOM 1014 CD LYS A 66 8.488 0.020 71.286 1.00 0.00 C ATOM 1015 CE LYS A 66 8.444 1.502 70.909 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.311 2.160 71.617 1.00 0.00 N ATOM 0 H LYS A 66 10.336 -3.498 73.733 1.00 0.00 H new ATOM 0 HA LYS A 66 10.861 -0.752 72.749 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.699 -2.233 72.467 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.382 -1.823 74.141 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.334 -0.016 73.116 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.940 0.661 73.302 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.418 -0.427 70.936 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.674 -0.514 70.796 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.384 1.985 71.177 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.326 1.611 69.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.041 3.027 71.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.499 1.511 71.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.601 2.402 72.586 1.00 0.00 H new ATOM 1030 N HIS A 67 10.779 -1.647 75.870 1.00 0.00 N ATOM 1031 CA HIS A 67 11.020 -1.171 77.258 1.00 0.00 C ATOM 1032 C HIS A 67 12.493 -0.794 77.401 1.00 0.00 C ATOM 1033 O HIS A 67 12.934 -0.342 78.439 1.00 0.00 O ATOM 1034 CB HIS A 67 10.683 -2.302 78.233 1.00 0.00 C ATOM 1035 CG HIS A 67 9.567 -3.137 77.675 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.489 -2.578 77.009 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.345 -4.491 77.681 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.673 -3.584 76.645 1.00 0.00 C ATOM 1039 NE2 HIS A 67 8.147 -4.772 77.030 1.00 0.00 N ATOM 0 H HIS A 67 10.736 -2.661 75.767 1.00 0.00 H new ATOM 0 HA HIS A 67 10.398 -0.303 77.475 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.563 -2.922 78.404 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.392 -1.888 79.199 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.000 -5.227 78.123 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.747 -3.447 76.107 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.723 -5.687 76.880 1.00 0.00 H new ATOM 1047 N HIS A 68 13.247 -0.976 76.352 1.00 0.00 N ATOM 1048 CA HIS A 68 14.698 -0.635 76.382 1.00 0.00 C ATOM 1049 C HIS A 68 15.305 -0.972 77.744 1.00 0.00 C ATOM 1050 O HIS A 68 16.297 -0.399 78.139 1.00 0.00 O ATOM 1051 CB HIS A 68 14.869 0.863 76.128 1.00 0.00 C ATOM 1052 CG HIS A 68 14.075 1.644 77.144 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.434 1.703 78.482 1.00 0.00 N ATOM 1054 CD2 HIS A 68 12.941 2.409 77.027 1.00 0.00 C ATOM 1055 CE1 HIS A 68 13.532 2.477 79.111 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.601 2.934 78.270 1.00 0.00 N ATOM 0 H HIS A 68 12.915 -1.351 75.464 1.00 0.00 H new ATOM 0 HA HIS A 68 15.206 -1.215 75.611 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.923 1.134 76.189 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.534 1.112 75.121 1.00 0.00 H new ATOM 0 HD1 HIS A 68 15.237 1.243 78.911 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.396 2.578 76.110 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.557 2.701 80.167 1.00 0.00 H new ATOM 1064 N ILE A 69 14.734 -1.887 78.477 1.00 0.00 N ATOM 1065 CA ILE A 69 15.330 -2.200 79.799 1.00 0.00 C ATOM 1066 C ILE A 69 14.927 -3.586 80.282 1.00 0.00 C ATOM 1067 O ILE A 69 13.855 -4.082 79.995 1.00 0.00 O ATOM 1068 CB ILE A 69 14.867 -1.161 80.822 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.091 -0.558 81.527 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.933 -1.810 81.863 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.877 -1.656 82.259 1.00 0.00 C ATOM 0 H ILE A 69 13.901 -2.419 78.224 1.00 0.00 H new ATOM 0 HA ILE A 69 16.415 -2.177 79.693 1.00 0.00 H new ATOM 0 HB ILE A 69 14.318 -0.374 80.304 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.734 -0.066 80.797 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.772 0.205 82.237 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.613 -1.057 82.584 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.060 -2.225 81.360 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.465 -2.607 82.383 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.742 -1.215 82.755 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.235 -2.129 83.002 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.212 -2.404 81.540 1.00 0.00 H new ATOM 1083 N THR A 70 15.787 -4.182 81.057 1.00 0.00 N ATOM 1084 CA THR A 70 15.511 -5.522 81.637 1.00 0.00 C ATOM 1085 C THR A 70 15.116 -5.326 83.120 1.00 0.00 C ATOM 1086 O THR A 70 15.395 -4.291 83.690 1.00 0.00 O ATOM 1087 CB THR A 70 16.764 -6.387 81.480 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.809 -7.370 82.506 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.006 -5.486 81.532 1.00 0.00 C ATOM 0 H THR A 70 16.690 -3.786 81.318 1.00 0.00 H new ATOM 0 HA THR A 70 14.691 -6.029 81.128 1.00 0.00 H new ATOM 0 HB THR A 70 16.739 -6.902 80.520 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.793 -8.264 82.104 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.903 -6.096 81.421 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.960 -4.757 80.723 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.038 -4.965 82.489 1.00 0.00 H new ATOM 1097 N PRO A 71 14.419 -6.280 83.691 1.00 0.00 N ATOM 1098 CA PRO A 71 13.925 -6.164 85.084 1.00 0.00 C ATOM 1099 C PRO A 71 15.038 -6.125 86.158 1.00 0.00 C ATOM 1100 O PRO A 71 14.786 -5.691 87.266 1.00 0.00 O ATOM 1101 CB PRO A 71 13.017 -7.390 85.271 1.00 0.00 C ATOM 1102 CG PRO A 71 12.907 -8.096 83.896 1.00 0.00 C ATOM 1103 CD PRO A 71 14.045 -7.541 83.022 1.00 0.00 C ATOM 0 HA PRO A 71 13.409 -5.214 85.222 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.433 -8.066 86.018 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.032 -7.088 85.628 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.996 -9.177 84.008 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.937 -7.902 83.438 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.886 -8.233 82.973 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.715 -7.368 81.998 1.00 0.00 H new ATOM 1111 N LEU A 72 16.253 -6.569 85.906 1.00 0.00 N ATOM 1112 CA LEU A 72 17.251 -6.507 87.023 1.00 0.00 C ATOM 1113 C LEU A 72 17.319 -5.081 87.549 1.00 0.00 C ATOM 1114 O LEU A 72 17.406 -4.861 88.736 1.00 0.00 O ATOM 1115 CB LEU A 72 18.682 -6.948 86.618 1.00 0.00 C ATOM 1116 CG LEU A 72 18.732 -7.830 85.358 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.555 -8.817 85.299 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.752 -6.937 84.118 1.00 0.00 C ATOM 0 H LEU A 72 16.583 -6.953 85.021 1.00 0.00 H new ATOM 0 HA LEU A 72 16.905 -7.209 87.781 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.291 -6.060 86.452 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.132 -7.492 87.448 1.00 0.00 H new ATOM 0 HG LEU A 72 19.643 -8.428 85.394 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.630 -9.419 84.394 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.583 -9.469 86.172 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.616 -8.263 85.290 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.787 -7.558 83.223 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.852 -6.322 84.098 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.631 -6.293 84.148 1.00 0.00 H new ATOM 1130 N LEU A 73 17.285 -4.110 86.682 1.00 0.00 N ATOM 1131 CA LEU A 73 17.355 -2.706 87.168 1.00 0.00 C ATOM 1132 C LEU A 73 16.040 -2.334 87.846 1.00 0.00 C ATOM 1133 O LEU A 73 15.982 -1.436 88.658 1.00 0.00 O ATOM 1134 CB LEU A 73 17.649 -1.749 86.003 1.00 0.00 C ATOM 1135 CG LEU A 73 18.959 -2.169 85.304 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.681 -3.246 84.246 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.611 -0.942 84.637 1.00 0.00 C ATOM 0 H LEU A 73 17.213 -4.225 85.671 1.00 0.00 H new ATOM 0 HA LEU A 73 18.165 -2.619 87.892 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.824 -1.764 85.290 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.734 -0.727 86.372 1.00 0.00 H new ATOM 0 HG LEU A 73 19.638 -2.579 86.052 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.615 -3.531 83.763 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.239 -4.120 84.724 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.991 -2.853 83.499 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.536 -1.244 84.145 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.927 -0.523 83.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.832 -0.190 85.395 1.00 0.00 H new ATOM 1149 N SER A 74 14.983 -3.022 87.527 1.00 0.00 N ATOM 1150 CA SER A 74 13.680 -2.709 88.168 1.00 0.00 C ATOM 1151 C SER A 74 13.827 -2.845 89.684 1.00 0.00 C ATOM 1152 O SER A 74 13.413 -1.989 90.446 1.00 0.00 O ATOM 1153 CB SER A 74 12.610 -3.679 87.660 1.00 0.00 C ATOM 1154 OG SER A 74 11.352 -3.342 88.231 1.00 0.00 O ATOM 0 H SER A 74 14.965 -3.786 86.851 1.00 0.00 H new ATOM 0 HA SER A 74 13.381 -1.691 87.919 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.551 -3.634 86.573 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.878 -4.702 87.923 1.00 0.00 H new ATOM 0 HG SER A 74 10.665 -3.340 87.532 1.00 0.00 H new ATOM 1160 N ALA A 75 14.427 -3.915 90.125 1.00 0.00 N ATOM 1161 CA ALA A 75 14.616 -4.111 91.593 1.00 0.00 C ATOM 1162 C ALA A 75 15.692 -3.159 92.099 1.00 0.00 C ATOM 1163 O ALA A 75 15.639 -2.680 93.215 1.00 0.00 O ATOM 1164 CB ALA A 75 15.044 -5.554 91.862 1.00 0.00 C ATOM 0 H ALA A 75 14.795 -4.662 89.536 1.00 0.00 H new ATOM 0 HA ALA A 75 13.679 -3.907 92.111 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.182 -5.699 92.933 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.274 -6.235 91.500 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.981 -5.758 91.344 1.00 0.00 H new ATOM 1170 N VAL A 76 16.674 -2.885 91.292 1.00 0.00 N ATOM 1171 CA VAL A 76 17.765 -1.971 91.722 1.00 0.00 C ATOM 1172 C VAL A 76 17.172 -0.752 92.448 1.00 0.00 C ATOM 1173 O VAL A 76 17.320 -0.608 93.646 1.00 0.00 O ATOM 1174 CB VAL A 76 18.564 -1.545 90.484 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.441 -0.329 90.786 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.459 -2.711 90.048 1.00 0.00 C ATOM 0 H VAL A 76 16.769 -3.257 90.347 1.00 0.00 H new ATOM 0 HA VAL A 76 18.432 -2.479 92.418 1.00 0.00 H new ATOM 0 HB VAL A 76 17.864 -1.278 89.692 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.996 -0.049 89.891 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.812 0.505 91.098 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.141 -0.575 91.585 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.033 -2.420 89.168 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.142 -2.968 90.858 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.840 -3.575 89.808 1.00 0.00 H new ATOM 1186 N TYR A 77 16.501 0.126 91.746 1.00 0.00 N ATOM 1187 CA TYR A 77 15.908 1.322 92.424 1.00 0.00 C ATOM 1188 C TYR A 77 14.658 0.890 93.200 1.00 0.00 C ATOM 1189 O TYR A 77 13.604 1.486 93.082 1.00 0.00 O ATOM 1190 CB TYR A 77 15.528 2.393 91.385 1.00 0.00 C ATOM 1191 CG TYR A 77 16.280 2.161 90.102 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.747 1.309 89.131 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.499 2.806 89.877 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.433 1.101 87.932 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.189 2.598 88.678 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.656 1.745 87.705 1.00 0.00 C ATOM 1197 OH TYR A 77 18.333 1.542 86.521 1.00 0.00 O ATOM 0 H TYR A 77 16.338 0.069 90.741 1.00 0.00 H new ATOM 0 HA TYR A 77 16.642 1.746 93.109 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.455 2.363 91.197 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.756 3.385 91.774 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.805 0.811 89.308 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.908 3.465 90.629 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.021 0.444 87.181 1.00 0.00 H new ATOM 0 HE2 TYR A 77 19.132 3.095 88.503 1.00 0.00 H new ATOM 0 HH TYR A 77 18.849 2.345 86.298 1.00 0.00 H new ATOM 1207 N GLU A 78 14.763 -0.149 93.987 1.00 0.00 N ATOM 1208 CA GLU A 78 13.577 -0.623 94.761 1.00 0.00 C ATOM 1209 C GLU A 78 13.958 -0.834 96.225 1.00 0.00 C ATOM 1210 O GLU A 78 13.125 -0.788 97.107 1.00 0.00 O ATOM 1211 CB GLU A 78 13.089 -1.950 94.173 1.00 0.00 C ATOM 1212 CG GLU A 78 11.629 -2.167 94.567 1.00 0.00 C ATOM 1213 CD GLU A 78 10.742 -1.253 93.720 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.077 -1.038 92.566 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.742 -0.784 94.239 1.00 0.00 O ATOM 0 H GLU A 78 15.617 -0.689 94.127 1.00 0.00 H new ATOM 0 HA GLU A 78 12.787 0.126 94.700 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.187 -1.939 93.088 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.703 -2.772 94.540 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.349 -3.209 94.415 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.489 -1.951 95.626 1.00 0.00 H new ATOM 1222 N GLY A 79 15.207 -1.089 96.491 1.00 0.00 N ATOM 1223 CA GLY A 79 15.626 -1.329 97.896 1.00 0.00 C ATOM 1224 C GLY A 79 15.492 -2.820 98.174 1.00 0.00 C ATOM 1225 O GLY A 79 15.888 -3.317 99.210 1.00 0.00 O ATOM 0 H GLY A 79 15.953 -1.141 95.798 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.655 -1.003 98.049 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.004 -0.755 98.583 1.00 0.00 H new ATOM 1229 N HIS A 80 14.945 -3.537 97.231 1.00 0.00 N ATOM 1230 CA HIS A 80 14.789 -4.999 97.396 1.00 0.00 C ATOM 1231 C HIS A 80 16.123 -5.650 97.042 1.00 0.00 C ATOM 1232 O HIS A 80 16.747 -6.306 97.852 1.00 0.00 O ATOM 1233 CB HIS A 80 13.703 -5.499 96.435 1.00 0.00 C ATOM 1234 CG HIS A 80 12.351 -5.417 97.090 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.580 -6.541 97.342 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.608 -4.348 97.519 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.427 -6.127 97.892 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.390 -4.797 98.024 1.00 0.00 N ATOM 0 H HIS A 80 14.598 -3.164 96.347 1.00 0.00 H new ATOM 0 HA HIS A 80 14.503 -5.247 98.418 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.710 -4.901 95.524 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.912 -6.528 96.143 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.920 -3.315 97.473 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.627 -6.788 98.191 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.633 -4.233 98.411 1.00 0.00 H new ATOM 1246 N VAL A 81 16.557 -5.452 95.826 1.00 0.00 N ATOM 1247 CA VAL A 81 17.850 -6.039 95.364 1.00 0.00 C ATOM 1248 C VAL A 81 18.051 -7.444 95.940 1.00 0.00 C ATOM 1249 O VAL A 81 19.109 -8.035 95.821 1.00 0.00 O ATOM 1250 CB VAL A 81 19.016 -5.102 95.714 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.177 -4.067 94.591 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.726 -4.358 97.021 1.00 0.00 C ATOM 0 H VAL A 81 16.064 -4.901 95.123 1.00 0.00 H new ATOM 0 HA VAL A 81 17.821 -6.141 94.279 1.00 0.00 H new ATOM 0 HB VAL A 81 19.924 -5.694 95.828 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.003 -3.397 94.830 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.385 -4.579 93.652 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.257 -3.490 94.494 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.561 -3.698 97.257 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.817 -3.768 96.910 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.594 -5.078 97.828 1.00 0.00 H new ATOM 1262 N SER A 82 17.030 -8.015 96.508 1.00 0.00 N ATOM 1263 CA SER A 82 17.146 -9.407 97.010 1.00 0.00 C ATOM 1264 C SER A 82 16.955 -10.316 95.797 1.00 0.00 C ATOM 1265 O SER A 82 17.390 -11.452 95.754 1.00 0.00 O ATOM 1266 CB SER A 82 16.056 -9.672 98.050 1.00 0.00 C ATOM 1267 OG SER A 82 16.618 -9.562 99.347 1.00 0.00 O ATOM 0 H SER A 82 16.119 -7.577 96.646 1.00 0.00 H new ATOM 0 HA SER A 82 18.110 -9.586 97.486 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.241 -8.958 97.931 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.632 -10.666 97.906 1.00 0.00 H new ATOM 0 HG SER A 82 15.925 -9.729 100.019 1.00 0.00 H new ATOM 1273 N CYS A 83 16.295 -9.786 94.800 1.00 0.00 N ATOM 1274 CA CYS A 83 16.037 -10.546 93.551 1.00 0.00 C ATOM 1275 C CYS A 83 17.280 -10.481 92.664 1.00 0.00 C ATOM 1276 O CYS A 83 17.735 -11.479 92.143 1.00 0.00 O ATOM 1277 CB CYS A 83 14.848 -9.898 92.833 1.00 0.00 C ATOM 1278 SG CYS A 83 14.967 -10.171 91.044 1.00 0.00 S ATOM 0 H CYS A 83 15.918 -8.838 94.804 1.00 0.00 H new ATOM 0 HA CYS A 83 15.811 -11.589 93.773 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.915 -10.316 93.210 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.826 -8.829 93.044 1.00 0.00 H new ATOM 0 HG CYS A 83 13.951 -9.617 90.452 1.00 0.00 H new ATOM 1284 N VAL A 84 17.840 -9.311 92.500 1.00 0.00 N ATOM 1285 CA VAL A 84 19.065 -9.180 91.662 1.00 0.00 C ATOM 1286 C VAL A 84 20.013 -10.317 92.019 1.00 0.00 C ATOM 1287 O VAL A 84 20.652 -10.904 91.175 1.00 0.00 O ATOM 1288 CB VAL A 84 19.770 -7.849 91.959 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.895 -6.672 91.522 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.046 -7.753 93.457 1.00 0.00 C ATOM 0 H VAL A 84 17.501 -8.441 92.911 1.00 0.00 H new ATOM 0 HA VAL A 84 18.789 -9.215 90.608 1.00 0.00 H new ATOM 0 HB VAL A 84 20.708 -7.810 91.405 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.409 -5.736 91.740 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.702 -6.740 90.451 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.949 -6.701 92.063 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.547 -6.810 93.675 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.104 -7.799 94.004 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.684 -8.582 93.763 1.00 0.00 H new ATOM 1300 N LYS A 85 20.111 -10.621 93.281 1.00 0.00 N ATOM 1301 CA LYS A 85 21.024 -11.711 93.719 1.00 0.00 C ATOM 1302 C LYS A 85 20.739 -13.005 92.925 1.00 0.00 C ATOM 1303 O LYS A 85 21.452 -13.345 91.996 1.00 0.00 O ATOM 1304 CB LYS A 85 20.810 -11.937 95.227 1.00 0.00 C ATOM 1305 CG LYS A 85 22.142 -12.294 95.921 1.00 0.00 C ATOM 1306 CD LYS A 85 22.324 -11.436 97.183 1.00 0.00 C ATOM 1307 CE LYS A 85 22.859 -10.054 96.794 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.329 -10.139 96.548 1.00 0.00 N ATOM 0 H LYS A 85 19.596 -10.160 94.031 1.00 0.00 H new ATOM 0 HA LYS A 85 22.061 -11.432 93.530 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.389 -11.038 95.678 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.088 -12.739 95.381 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.152 -13.351 96.186 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.974 -12.129 95.236 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.373 -11.335 97.706 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.015 -11.924 97.870 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.350 -9.694 95.900 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.654 -9.336 97.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.776 -9.234 96.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.735 -10.900 97.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.502 -10.342 95.543 1.00 0.00 H new ATOM 1322 N LEU A 86 19.720 -13.742 93.281 1.00 0.00 N ATOM 1323 CA LEU A 86 19.440 -15.009 92.540 1.00 0.00 C ATOM 1324 C LEU A 86 19.113 -14.717 91.075 1.00 0.00 C ATOM 1325 O LEU A 86 18.763 -15.605 90.326 1.00 0.00 O ATOM 1326 CB LEU A 86 18.309 -15.820 93.206 1.00 0.00 C ATOM 1327 CG LEU A 86 16.994 -15.035 93.328 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.160 -13.857 94.288 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.521 -14.533 91.960 1.00 0.00 C ATOM 0 H LEU A 86 19.076 -13.526 94.042 1.00 0.00 H new ATOM 0 HA LEU A 86 20.343 -15.619 92.576 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.131 -16.727 92.628 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.631 -16.133 94.199 1.00 0.00 H new ATOM 0 HG LEU A 86 16.238 -15.712 93.725 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.219 -13.312 94.362 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.443 -14.228 95.273 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.937 -13.190 93.914 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.588 -13.981 92.077 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.279 -13.878 91.531 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.359 -15.383 91.297 1.00 0.00 H new ATOM 1341 N LEU A 87 19.210 -13.482 90.656 1.00 0.00 N ATOM 1342 CA LEU A 87 18.880 -13.160 89.238 1.00 0.00 C ATOM 1343 C LEU A 87 20.032 -13.573 88.327 1.00 0.00 C ATOM 1344 O LEU A 87 19.941 -14.550 87.610 1.00 0.00 O ATOM 1345 CB LEU A 87 18.622 -11.653 89.083 1.00 0.00 C ATOM 1346 CG LEU A 87 17.256 -11.418 88.431 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.973 -9.915 88.380 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.250 -11.987 87.009 1.00 0.00 C ATOM 0 H LEU A 87 19.501 -12.690 91.229 1.00 0.00 H new ATOM 0 HA LEU A 87 17.981 -13.709 88.957 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.656 -11.168 90.058 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.406 -11.202 88.475 1.00 0.00 H new ATOM 0 HG LEU A 87 16.486 -11.919 89.018 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.002 -9.743 87.917 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.969 -9.511 89.392 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.747 -9.419 87.795 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.275 -11.816 86.553 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.020 -11.493 86.416 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.451 -13.058 87.045 1.00 0.00 H new ATOM 1360 N LEU A 88 21.116 -12.842 88.325 1.00 0.00 N ATOM 1361 CA LEU A 88 22.231 -13.230 87.424 1.00 0.00 C ATOM 1362 C LEU A 88 22.526 -14.710 87.615 1.00 0.00 C ATOM 1363 O LEU A 88 23.154 -15.340 86.787 1.00 0.00 O ATOM 1364 CB LEU A 88 23.495 -12.377 87.652 1.00 0.00 C ATOM 1365 CG LEU A 88 24.155 -12.647 89.016 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.107 -12.603 90.126 1.00 0.00 C ATOM 1367 CD2 LEU A 88 24.859 -14.015 89.010 1.00 0.00 C ATOM 0 H LEU A 88 21.273 -12.012 88.896 1.00 0.00 H new ATOM 0 HA LEU A 88 21.924 -13.045 86.395 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.214 -12.581 86.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.233 -11.321 87.582 1.00 0.00 H new ATOM 0 HG LEU A 88 24.899 -11.872 89.201 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.586 -12.795 91.086 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.638 -11.619 90.145 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.348 -13.363 89.940 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.321 -14.191 89.982 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.129 -14.799 88.808 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.627 -14.026 88.236 1.00 0.00 H new ATOM 1379 N SER A 89 22.039 -15.285 88.680 1.00 0.00 N ATOM 1380 CA SER A 89 22.257 -16.738 88.884 1.00 0.00 C ATOM 1381 C SER A 89 21.671 -17.454 87.669 1.00 0.00 C ATOM 1382 O SER A 89 21.996 -18.585 87.369 1.00 0.00 O ATOM 1383 CB SER A 89 21.539 -17.203 90.154 1.00 0.00 C ATOM 1384 OG SER A 89 22.051 -18.470 90.549 1.00 0.00 O ATOM 0 H SER A 89 21.505 -14.814 89.410 1.00 0.00 H new ATOM 0 HA SER A 89 23.319 -16.958 88.994 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.682 -16.475 90.953 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.466 -17.272 89.974 1.00 0.00 H new ATOM 0 HG SER A 89 21.594 -18.768 91.363 1.00 0.00 H new ATOM 1390 N LYS A 90 20.807 -16.770 86.961 1.00 0.00 N ATOM 1391 CA LYS A 90 20.178 -17.349 85.746 1.00 0.00 C ATOM 1392 C LYS A 90 20.854 -16.757 84.510 1.00 0.00 C ATOM 1393 O LYS A 90 20.687 -17.236 83.405 1.00 0.00 O ATOM 1394 CB LYS A 90 18.695 -16.974 85.728 1.00 0.00 C ATOM 1395 CG LYS A 90 17.909 -17.957 86.592 1.00 0.00 C ATOM 1396 CD LYS A 90 16.545 -17.354 86.953 1.00 0.00 C ATOM 1397 CE LYS A 90 16.653 -16.596 88.277 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.084 -17.535 89.351 1.00 0.00 N ATOM 0 H LYS A 90 20.510 -15.820 87.182 1.00 0.00 H new ATOM 0 HA LYS A 90 20.288 -18.433 85.749 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.562 -15.959 86.101 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.318 -16.990 84.706 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.772 -18.897 86.057 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.468 -18.186 87.500 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.213 -16.680 86.163 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.797 -18.143 87.034 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.369 -15.779 88.184 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.692 -16.150 88.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.344 -17.593 90.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.244 -18.479 88.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.966 -17.190 89.781 1.00 0.00 H new ATOM 1412 N GLY A 91 21.614 -15.713 84.696 1.00 0.00 N ATOM 1413 CA GLY A 91 22.311 -15.069 83.551 1.00 0.00 C ATOM 1414 C GLY A 91 22.039 -13.562 83.573 1.00 0.00 C ATOM 1415 O GLY A 91 22.715 -12.811 84.248 1.00 0.00 O ATOM 0 H GLY A 91 21.782 -15.276 85.602 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.383 -15.257 83.611 1.00 0.00 H new ATOM 0 HA3 GLY A 91 21.964 -15.499 82.611 1.00 0.00 H new ATOM 1419 N ALA A 92 21.045 -13.120 82.845 1.00 0.00 N ATOM 1420 CA ALA A 92 20.713 -11.662 82.819 1.00 0.00 C ATOM 1421 C ALA A 92 21.996 -10.827 82.766 1.00 0.00 C ATOM 1422 O ALA A 92 21.977 -9.640 83.039 1.00 0.00 O ATOM 1423 CB ALA A 92 19.945 -11.297 84.096 1.00 0.00 C ATOM 0 H ALA A 92 20.447 -13.708 82.265 1.00 0.00 H new ATOM 0 HA ALA A 92 20.108 -11.454 81.937 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.700 -10.235 84.082 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.026 -11.881 84.147 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.563 -11.516 84.967 1.00 0.00 H new ATOM 1429 N ASP A 93 23.107 -11.432 82.434 1.00 0.00 N ATOM 1430 CA ASP A 93 24.392 -10.676 82.383 1.00 0.00 C ATOM 1431 C ASP A 93 24.345 -9.519 83.387 1.00 0.00 C ATOM 1432 O ASP A 93 24.388 -9.726 84.583 1.00 0.00 O ATOM 1433 CB ASP A 93 24.617 -10.153 80.966 1.00 0.00 C ATOM 1434 CG ASP A 93 26.054 -9.657 80.837 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.799 -9.811 81.791 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.389 -9.137 79.786 1.00 0.00 O ATOM 0 H ASP A 93 23.179 -12.421 82.195 1.00 0.00 H new ATOM 0 HA ASP A 93 25.220 -11.333 82.648 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.425 -10.943 80.239 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.919 -9.344 80.749 1.00 0.00 H new ATOM 1441 N LYS A 94 24.250 -8.310 82.920 1.00 0.00 N ATOM 1442 CA LYS A 94 24.188 -7.156 83.853 1.00 0.00 C ATOM 1443 C LYS A 94 23.675 -5.940 83.078 1.00 0.00 C ATOM 1444 O LYS A 94 22.851 -5.184 83.555 1.00 0.00 O ATOM 1445 CB LYS A 94 25.584 -6.909 84.411 1.00 0.00 C ATOM 1446 CG LYS A 94 25.601 -5.664 85.308 1.00 0.00 C ATOM 1447 CD LYS A 94 26.897 -4.888 85.066 1.00 0.00 C ATOM 1448 CE LYS A 94 26.824 -4.183 83.710 1.00 0.00 C ATOM 1449 NZ LYS A 94 27.840 -3.099 83.661 1.00 0.00 N ATOM 0 H LYS A 94 24.212 -8.070 81.929 1.00 0.00 H new ATOM 0 HA LYS A 94 23.513 -7.351 84.686 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.911 -7.778 84.982 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.291 -6.781 83.591 1.00 0.00 H new ATOM 0 HG2 LYS A 94 24.739 -5.033 85.091 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.527 -5.955 86.356 1.00 0.00 H new ATOM 0 HD2 LYS A 94 27.049 -4.157 85.860 1.00 0.00 H new ATOM 0 HD3 LYS A 94 27.750 -5.567 85.090 1.00 0.00 H new ATOM 0 HE2 LYS A 94 27.000 -4.898 82.906 1.00 0.00 H new ATOM 0 HE3 LYS A 94 25.827 -3.769 83.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.437 -2.266 83.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 28.122 -2.843 84.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.674 -3.428 83.133 1.00 0.00 H new ATOM 1463 N THR A 95 24.135 -5.779 81.864 1.00 0.00 N ATOM 1464 CA THR A 95 23.664 -4.654 81.004 1.00 0.00 C ATOM 1465 C THR A 95 23.029 -5.295 79.775 1.00 0.00 C ATOM 1466 O THR A 95 23.406 -5.046 78.646 1.00 0.00 O ATOM 1467 CB THR A 95 24.852 -3.762 80.584 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.068 -4.390 80.960 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.754 -2.389 81.268 1.00 0.00 C ATOM 0 H THR A 95 24.827 -6.388 81.427 1.00 0.00 H new ATOM 0 HA THR A 95 22.954 -4.021 81.537 1.00 0.00 H new ATOM 0 HB THR A 95 24.826 -3.622 79.503 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.824 -3.826 80.693 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.598 -1.770 80.963 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.823 -1.903 80.976 1.00 0.00 H new ATOM 0 HG23 THR A 95 24.772 -2.519 82.350 1.00 0.00 H new ATOM 1477 N VAL A 96 22.081 -6.158 80.002 1.00 0.00 N ATOM 1478 CA VAL A 96 21.440 -6.859 78.872 1.00 0.00 C ATOM 1479 C VAL A 96 20.583 -5.881 78.076 1.00 0.00 C ATOM 1480 O VAL A 96 20.161 -6.182 76.983 1.00 0.00 O ATOM 1481 CB VAL A 96 20.534 -7.970 79.417 1.00 0.00 C ATOM 1482 CG1 VAL A 96 19.960 -8.791 78.259 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.340 -8.885 80.335 1.00 0.00 C ATOM 0 H VAL A 96 21.726 -6.405 80.926 1.00 0.00 H new ATOM 0 HA VAL A 96 22.212 -7.280 78.228 1.00 0.00 H new ATOM 0 HB VAL A 96 19.716 -7.518 79.978 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.318 -9.578 78.654 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.378 -8.141 77.606 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.776 -9.239 77.691 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.694 -9.674 80.721 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.162 -9.331 79.774 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.741 -8.305 81.166 1.00 0.00 H new ATOM 1493 N LYS A 97 20.309 -4.715 78.603 1.00 0.00 N ATOM 1494 CA LYS A 97 19.467 -3.762 77.821 1.00 0.00 C ATOM 1495 C LYS A 97 19.491 -2.345 78.418 1.00 0.00 C ATOM 1496 O LYS A 97 18.843 -1.452 77.910 1.00 0.00 O ATOM 1497 CB LYS A 97 18.030 -4.294 77.791 1.00 0.00 C ATOM 1498 CG LYS A 97 17.433 -4.110 76.391 1.00 0.00 C ATOM 1499 CD LYS A 97 17.903 -5.245 75.477 1.00 0.00 C ATOM 1500 CE LYS A 97 17.191 -5.137 74.131 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.817 -4.050 73.327 1.00 0.00 N ATOM 0 H LYS A 97 20.622 -4.388 79.517 1.00 0.00 H new ATOM 0 HA LYS A 97 19.872 -3.690 76.812 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.018 -5.349 78.065 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.423 -3.767 78.527 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.344 -4.102 76.447 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.738 -3.148 75.979 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.982 -5.190 75.336 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.690 -6.210 75.937 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.256 -6.084 73.596 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.132 -4.929 74.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.379 -4.019 72.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.674 -3.138 73.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.836 -4.233 73.229 1.00 0.00 H new ATOM 1515 N GLY A 98 20.218 -2.113 79.475 1.00 0.00 N ATOM 1516 CA GLY A 98 20.246 -0.738 80.050 1.00 0.00 C ATOM 1517 C GLY A 98 21.018 0.178 79.098 1.00 0.00 C ATOM 1518 O GLY A 98 21.579 -0.288 78.127 1.00 0.00 O ATOM 0 H GLY A 98 20.788 -2.806 79.961 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.231 -0.367 80.191 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.720 -0.749 81.031 1.00 0.00 H new ATOM 1522 N PRO A 99 21.048 1.451 79.406 1.00 0.00 N ATOM 1523 CA PRO A 99 21.777 2.423 78.579 1.00 0.00 C ATOM 1524 C PRO A 99 23.221 1.963 78.453 1.00 0.00 C ATOM 1525 O PRO A 99 23.616 1.364 77.470 1.00 0.00 O ATOM 1526 CB PRO A 99 21.672 3.755 79.346 1.00 0.00 C ATOM 1527 CG PRO A 99 20.824 3.495 80.619 1.00 0.00 C ATOM 1528 CD PRO A 99 20.372 2.020 80.586 1.00 0.00 C ATOM 0 HA PRO A 99 21.379 2.525 77.569 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.663 4.122 79.614 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.206 4.520 78.724 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.409 3.696 81.516 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.960 4.160 80.646 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.659 1.497 81.498 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.288 1.939 80.500 1.00 0.00 H new ATOM 1536 N ASP A 100 24.003 2.225 79.451 1.00 0.00 N ATOM 1537 CA ASP A 100 25.419 1.799 79.420 1.00 0.00 C ATOM 1538 C ASP A 100 25.791 1.231 80.786 1.00 0.00 C ATOM 1539 O ASP A 100 25.069 0.448 81.376 1.00 0.00 O ATOM 1540 CB ASP A 100 26.309 3.004 79.095 1.00 0.00 C ATOM 1541 CG ASP A 100 27.706 2.515 78.716 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.975 1.342 78.918 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.484 3.319 78.229 1.00 0.00 O ATOM 0 H ASP A 100 23.719 2.721 80.296 1.00 0.00 H new ATOM 0 HA ASP A 100 25.563 1.036 78.655 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.878 3.578 78.275 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.366 3.671 79.955 1.00 0.00 H new ATOM 1548 N GLY A 101 26.913 1.622 81.291 1.00 0.00 N ATOM 1549 CA GLY A 101 27.353 1.108 82.612 1.00 0.00 C ATOM 1550 C GLY A 101 26.336 1.496 83.683 1.00 0.00 C ATOM 1551 O GLY A 101 26.533 1.249 84.864 1.00 0.00 O ATOM 0 H GLY A 101 27.553 2.280 80.847 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.459 0.024 82.574 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.332 1.515 82.863 1.00 0.00 H new ATOM 1555 N LEU A 102 25.238 2.087 83.294 1.00 0.00 N ATOM 1556 CA LEU A 102 24.234 2.475 84.313 1.00 0.00 C ATOM 1557 C LEU A 102 23.995 1.287 85.212 1.00 0.00 C ATOM 1558 O LEU A 102 24.334 1.303 86.382 1.00 0.00 O ATOM 1559 CB LEU A 102 22.912 2.881 83.654 1.00 0.00 C ATOM 1560 CG LEU A 102 21.917 3.442 84.697 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.590 3.774 84.009 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.642 2.430 85.812 1.00 0.00 C ATOM 0 H LEU A 102 24.999 2.313 82.328 1.00 0.00 H new ATOM 0 HA LEU A 102 24.608 3.327 84.880 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.101 3.632 82.887 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.471 2.018 83.154 1.00 0.00 H new ATOM 0 HG LEU A 102 22.363 4.335 85.134 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.888 4.169 84.743 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.760 4.519 83.232 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.176 2.870 83.562 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.939 2.858 86.527 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.216 1.523 85.383 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.575 2.188 86.321 1.00 0.00 H new ATOM 1574 N THR A 103 23.388 0.261 84.691 1.00 0.00 N ATOM 1575 CA THR A 103 23.090 -0.917 85.541 1.00 0.00 C ATOM 1576 C THR A 103 23.097 -0.475 87.007 1.00 0.00 C ATOM 1577 O THR A 103 22.217 0.233 87.464 1.00 0.00 O ATOM 1578 CB THR A 103 24.142 -2.004 85.328 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.176 -2.848 86.470 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.504 -1.353 85.122 1.00 0.00 C ATOM 0 H THR A 103 23.087 0.188 83.719 1.00 0.00 H new ATOM 0 HA THR A 103 22.114 -1.322 85.274 1.00 0.00 H new ATOM 0 HB THR A 103 23.892 -2.597 84.448 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.100 -3.120 86.648 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.257 -2.126 84.970 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.468 -0.704 84.247 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.762 -0.763 86.002 1.00 0.00 H new ATOM 1588 N ALA A 104 24.098 -0.870 87.739 1.00 0.00 N ATOM 1589 CA ALA A 104 24.178 -0.471 89.171 1.00 0.00 C ATOM 1590 C ALA A 104 25.040 0.793 89.339 1.00 0.00 C ATOM 1591 O ALA A 104 24.874 1.536 90.287 1.00 0.00 O ATOM 1592 CB ALA A 104 24.786 -1.618 89.979 1.00 0.00 C ATOM 0 H ALA A 104 24.866 -1.453 87.408 1.00 0.00 H new ATOM 0 HA ALA A 104 23.173 -0.252 89.532 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.847 -1.331 91.029 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.159 -2.504 89.881 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.786 -1.837 89.604 1.00 0.00 H new ATOM 1598 N LEU A 105 25.977 1.025 88.446 1.00 0.00 N ATOM 1599 CA LEU A 105 26.877 2.212 88.568 1.00 0.00 C ATOM 1600 C LEU A 105 26.096 3.530 88.653 1.00 0.00 C ATOM 1601 O LEU A 105 26.027 4.156 89.694 1.00 0.00 O ATOM 1602 CB LEU A 105 27.789 2.281 87.343 1.00 0.00 C ATOM 1603 CG LEU A 105 28.425 0.916 87.064 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.456 1.059 85.941 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.121 0.398 88.324 1.00 0.00 C ATOM 0 H LEU A 105 26.155 0.436 87.633 1.00 0.00 H new ATOM 0 HA LEU A 105 27.449 2.090 89.488 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.216 2.605 86.474 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.569 3.025 87.506 1.00 0.00 H new ATOM 0 HG LEU A 105 27.648 0.212 86.767 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.911 0.089 85.739 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.964 1.423 85.039 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.228 1.766 86.244 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.571 -0.573 88.118 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.897 1.101 88.626 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.391 0.297 89.127 1.00 0.00 H new ATOM 1617 N GLU A 106 25.559 3.989 87.558 1.00 0.00 N ATOM 1618 CA GLU A 106 24.851 5.294 87.567 1.00 0.00 C ATOM 1619 C GLU A 106 23.458 5.141 88.172 1.00 0.00 C ATOM 1620 O GLU A 106 22.663 6.063 88.160 1.00 0.00 O ATOM 1621 CB GLU A 106 24.741 5.805 86.125 1.00 0.00 C ATOM 1622 CG GLU A 106 26.083 5.629 85.409 1.00 0.00 C ATOM 1623 CD GLU A 106 27.095 6.630 85.967 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.807 7.814 85.933 1.00 0.00 O ATOM 1625 OE2 GLU A 106 28.139 6.193 86.422 1.00 0.00 O ATOM 0 H GLU A 106 25.581 3.514 86.656 1.00 0.00 H new ATOM 0 HA GLU A 106 25.411 6.006 88.173 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.961 5.259 85.594 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.452 6.856 86.123 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.449 4.611 85.545 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.958 5.782 84.337 1.00 0.00 H new ATOM 1632 N ALA A 107 23.146 3.991 88.707 1.00 0.00 N ATOM 1633 CA ALA A 107 21.793 3.811 89.306 1.00 0.00 C ATOM 1634 C ALA A 107 21.700 4.456 90.697 1.00 0.00 C ATOM 1635 O ALA A 107 20.752 5.159 90.983 1.00 0.00 O ATOM 1636 CB ALA A 107 21.468 2.324 89.432 1.00 0.00 C ATOM 0 H ALA A 107 23.761 3.178 88.755 1.00 0.00 H new ATOM 0 HA ALA A 107 21.077 4.299 88.645 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.477 2.204 89.871 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.486 1.863 88.445 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.208 1.843 90.071 1.00 0.00 H new ATOM 1642 N THR A 108 22.630 4.206 91.588 1.00 0.00 N ATOM 1643 CA THR A 108 22.489 4.806 92.948 1.00 0.00 C ATOM 1644 C THR A 108 23.834 4.945 93.662 1.00 0.00 C ATOM 1645 O THR A 108 24.871 5.135 93.058 1.00 0.00 O ATOM 1646 CB THR A 108 21.606 3.887 93.781 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.397 4.462 95.063 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.306 2.535 93.930 1.00 0.00 C ATOM 0 H THR A 108 23.458 3.629 91.438 1.00 0.00 H new ATOM 0 HA THR A 108 22.060 5.802 92.836 1.00 0.00 H new ATOM 0 HB THR A 108 20.642 3.752 93.291 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.827 3.871 95.598 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.684 1.867 94.525 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.468 2.098 92.944 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.266 2.675 94.427 1.00 0.00 H new ATOM 1656 N ASP A 109 23.794 4.838 94.971 1.00 0.00 N ATOM 1657 CA ASP A 109 25.026 4.942 95.792 1.00 0.00 C ATOM 1658 C ASP A 109 24.979 3.917 96.934 1.00 0.00 C ATOM 1659 O ASP A 109 25.947 3.732 97.647 1.00 0.00 O ATOM 1660 CB ASP A 109 25.150 6.348 96.379 1.00 0.00 C ATOM 1661 CG ASP A 109 26.444 6.445 97.187 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.474 6.707 96.589 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.384 6.248 98.390 1.00 0.00 O ATOM 0 H ASP A 109 22.940 4.680 95.506 1.00 0.00 H new ATOM 0 HA ASP A 109 25.888 4.741 95.156 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.150 7.090 95.580 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.293 6.566 97.016 1.00 0.00 H new ATOM 1668 N ASN A 110 23.876 3.230 97.117 1.00 0.00 N ATOM 1669 CA ASN A 110 23.836 2.215 98.215 1.00 0.00 C ATOM 1670 C ASN A 110 24.638 0.994 97.746 1.00 0.00 C ATOM 1671 O ASN A 110 24.589 0.607 96.597 1.00 0.00 O ATOM 1672 CB ASN A 110 22.390 1.832 98.577 1.00 0.00 C ATOM 1673 CG ASN A 110 21.703 1.147 97.406 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.297 1.122 96.258 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.612 0.631 97.543 1.00 0.00 N flip ATOM 0 H ASN A 110 23.022 3.325 96.568 1.00 0.00 H new ATOM 0 HA ASN A 110 24.276 2.628 99.123 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.390 1.169 99.442 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.833 2.725 98.860 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.148 0.653 98.451 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.160 0.175 96.750 1.00 0.00 H new ATOM 1682 N GLN A 111 25.433 0.438 98.611 1.00 0.00 N ATOM 1683 CA GLN A 111 26.320 -0.697 98.216 1.00 0.00 C ATOM 1684 C GLN A 111 25.555 -2.004 97.927 1.00 0.00 C ATOM 1685 O GLN A 111 26.159 -3.020 97.653 1.00 0.00 O ATOM 1686 CB GLN A 111 27.339 -0.897 99.336 1.00 0.00 C ATOM 1687 CG GLN A 111 28.113 -2.201 99.143 1.00 0.00 C ATOM 1688 CD GLN A 111 29.418 -2.121 99.933 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.448 -1.761 99.398 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.415 -2.440 101.196 1.00 0.00 N ATOM 0 H GLN A 111 25.510 0.722 99.588 1.00 0.00 H new ATOM 0 HA GLN A 111 26.810 -0.443 97.276 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.033 -0.057 99.356 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.829 -0.911 100.299 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.517 -3.048 99.484 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.321 -2.363 98.085 1.00 0.00 H new ATOM 0 HE21 GLN A 111 28.550 -2.742 101.644 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.278 -2.388 101.737 1.00 0.00 H new ATOM 1699 N ALA A 112 24.251 -2.009 97.933 1.00 0.00 N ATOM 1700 CA ALA A 112 23.536 -3.276 97.607 1.00 0.00 C ATOM 1701 C ALA A 112 23.405 -3.358 96.089 1.00 0.00 C ATOM 1702 O ALA A 112 23.674 -4.369 95.457 1.00 0.00 O ATOM 1703 CB ALA A 112 22.145 -3.277 98.253 1.00 0.00 C ATOM 0 H ALA A 112 23.658 -1.207 98.145 1.00 0.00 H new ATOM 0 HA ALA A 112 24.089 -4.134 97.990 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.631 -4.207 98.009 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.246 -3.192 99.335 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.568 -2.433 97.875 1.00 0.00 H new ATOM 1709 N ILE A 113 23.040 -2.271 95.506 1.00 0.00 N ATOM 1710 CA ILE A 113 22.916 -2.203 94.030 1.00 0.00 C ATOM 1711 C ILE A 113 24.314 -2.296 93.449 1.00 0.00 C ATOM 1712 O ILE A 113 24.617 -3.089 92.571 1.00 0.00 O ATOM 1713 CB ILE A 113 22.346 -0.827 93.670 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.814 -0.839 93.710 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.821 -0.405 92.275 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.310 -0.725 95.153 1.00 0.00 C ATOM 0 H ILE A 113 22.816 -1.404 95.994 1.00 0.00 H new ATOM 0 HA ILE A 113 22.278 -3.000 93.649 1.00 0.00 H new ATOM 0 HB ILE A 113 22.707 -0.110 94.408 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.423 -0.013 93.116 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.440 -1.759 93.260 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.409 0.574 92.031 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.910 -0.354 92.261 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.482 -1.134 91.539 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.220 -0.735 95.160 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.684 -1.566 95.737 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.667 0.208 95.590 1.00 0.00 H new ATOM 1728 N LYS A 114 25.169 -1.471 93.949 1.00 0.00 N ATOM 1729 CA LYS A 114 26.547 -1.460 93.459 1.00 0.00 C ATOM 1730 C LYS A 114 27.103 -2.874 93.607 1.00 0.00 C ATOM 1731 O LYS A 114 28.152 -3.202 93.102 1.00 0.00 O ATOM 1732 CB LYS A 114 27.358 -0.428 94.255 1.00 0.00 C ATOM 1733 CG LYS A 114 26.483 0.816 94.558 1.00 0.00 C ATOM 1734 CD LYS A 114 26.931 2.013 93.717 1.00 0.00 C ATOM 1735 CE LYS A 114 26.768 1.694 92.230 1.00 0.00 C ATOM 1736 NZ LYS A 114 28.099 1.379 91.647 1.00 0.00 N ATOM 0 H LYS A 114 24.965 -0.796 94.686 1.00 0.00 H new ATOM 0 HA LYS A 114 26.602 -1.171 92.409 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.710 -0.871 95.187 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.241 -0.132 93.689 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.437 0.590 94.349 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.550 1.064 95.617 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.341 2.892 93.976 1.00 0.00 H new ATOM 0 HD3 LYS A 114 27.972 2.252 93.935 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.092 0.849 92.099 1.00 0.00 H new ATOM 0 HE3 LYS A 114 26.322 2.542 91.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 28.016 0.554 91.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.442 2.196 91.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.771 1.166 92.411 1.00 0.00 H new ATOM 1750 N ALA A 115 26.371 -3.719 94.282 1.00 0.00 N ATOM 1751 CA ALA A 115 26.811 -5.126 94.449 1.00 0.00 C ATOM 1752 C ALA A 115 26.707 -5.842 93.111 1.00 0.00 C ATOM 1753 O ALA A 115 27.519 -6.687 92.787 1.00 0.00 O ATOM 1754 CB ALA A 115 25.918 -5.849 95.468 1.00 0.00 C ATOM 0 H ALA A 115 25.482 -3.489 94.726 1.00 0.00 H new ATOM 0 HA ALA A 115 27.841 -5.133 94.807 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.254 -6.880 95.579 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.980 -5.341 96.431 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.886 -5.839 95.118 1.00 0.00 H new ATOM 1760 N LEU A 116 25.713 -5.522 92.322 1.00 0.00 N ATOM 1761 CA LEU A 116 25.588 -6.220 91.013 1.00 0.00 C ATOM 1762 C LEU A 116 26.739 -5.804 90.099 1.00 0.00 C ATOM 1763 O LEU A 116 27.109 -6.529 89.195 1.00 0.00 O ATOM 1764 CB LEU A 116 24.242 -5.884 90.357 1.00 0.00 C ATOM 1765 CG LEU A 116 23.300 -7.107 90.368 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.065 -6.781 89.517 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.003 -8.343 89.775 1.00 0.00 C ATOM 0 H LEU A 116 24.998 -4.823 92.523 1.00 0.00 H new ATOM 0 HA LEU A 116 25.632 -7.297 91.177 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.773 -5.054 90.886 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.406 -5.556 89.331 1.00 0.00 H new ATOM 0 HG LEU A 116 23.015 -7.327 91.397 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.389 -7.636 89.515 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.553 -5.915 89.936 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.375 -6.561 88.495 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.321 -9.193 89.793 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.298 -8.135 88.746 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.889 -8.576 90.366 1.00 0.00 H new ATOM 1779 N LEU A 117 27.341 -4.669 90.329 1.00 0.00 N ATOM 1780 CA LEU A 117 28.481 -4.301 89.458 1.00 0.00 C ATOM 1781 C LEU A 117 29.652 -5.158 89.904 1.00 0.00 C ATOM 1782 O LEU A 117 30.558 -5.447 89.148 1.00 0.00 O ATOM 1783 CB LEU A 117 28.794 -2.803 89.589 1.00 0.00 C ATOM 1784 CG LEU A 117 29.766 -2.519 90.759 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.217 -2.557 90.261 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.480 -1.125 91.350 1.00 0.00 C ATOM 0 H LEU A 117 27.099 -4.001 91.061 1.00 0.00 H new ATOM 0 HA LEU A 117 28.258 -4.478 88.406 1.00 0.00 H new ATOM 0 HB2 LEU A 117 29.230 -2.440 88.658 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.867 -2.250 89.744 1.00 0.00 H new ATOM 0 HG LEU A 117 29.622 -3.283 91.523 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.892 -2.356 91.093 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.434 -3.542 89.847 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.357 -1.800 89.489 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.167 -0.931 92.173 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.615 -0.368 90.578 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.454 -1.089 91.718 1.00 0.00 H new ATOM 1798 N GLN A 118 29.587 -5.611 91.129 1.00 0.00 N ATOM 1799 CA GLN A 118 30.630 -6.513 91.685 1.00 0.00 C ATOM 1800 C GLN A 118 31.948 -6.371 90.911 1.00 0.00 C ATOM 1801 O GLN A 118 32.076 -7.000 89.873 1.00 0.00 O ATOM 1802 CB GLN A 118 30.108 -7.948 91.593 1.00 0.00 C ATOM 1803 CG GLN A 118 30.240 -8.641 92.947 1.00 0.00 C ATOM 1804 CD GLN A 118 29.977 -10.137 92.777 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.221 -10.547 91.795 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 30.463 -10.942 93.546 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 32.812 -5.648 91.379 1.00 0.00 O ATOM 0 H GLN A 118 28.835 -5.386 91.780 1.00 0.00 H new ATOM 0 HA GLN A 118 30.834 -6.249 92.723 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.065 -7.944 91.278 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.668 -8.499 90.837 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.238 -8.480 93.355 1.00 0.00 H new ATOM 0 HG3 GLN A 118 29.532 -8.214 93.657 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.054 -10.622 94.313 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.280 -11.938 93.424 1.00 0.00 H new