USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 898 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.0126 USER MOD Set 2.1: A 25 THR OG1 : rot 158:sc= 0.345 USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= 0.3 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 1.69 USER MOD Set 3.2: A 9 THR OG1 : rot 48:sc= 1.3 USER MOD Set 4.1: A 4 LYS NZ :NH3+ -146:sc= 0.967 (180deg=0) USER MOD Set 4.2: A 6 TYR OH : rot 180:sc= 0.855 USER MOD Single : A 3 MET CE :methyl 164:sc= -0.0461 (180deg=-0.43) USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= 2.03 (180deg=1.63) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.729 X(o=-0.73,f=-0.73) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 160:sc= -0.358 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 27 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.035 K(o=0.035,f=-3.3!) USER MOD Single : A 31 GLN : amide:sc=-0.00505 X(o=-0.0051,f=-0.0051) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -115:sc= 0.0906 (180deg=0) USER MOD Single : A 55 SER OG : rot -170:sc= 0.00211 USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -74:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 1.11 (180deg=1.05) USER MOD Single : A 77 ASN : amide:sc= 0.153 K(o=0.15,f=-2.4!) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0318) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.931 K(o=0.93,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 152:sc= -0.0877 (180deg=-0.593) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -172:sc= -0.712 (180deg=-1.26) USER MOD Single : A 103 SER OG : rot -38:sc= 0.0261 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 11.892 -2.516 -8.594 1.00 0.00 N ATOM 41 CA MET A 3 11.887 -3.748 -7.832 1.00 0.00 C ATOM 42 C MET A 3 10.610 -3.749 -6.983 1.00 0.00 C ATOM 43 O MET A 3 9.980 -2.693 -6.853 1.00 0.00 O ATOM 44 CB MET A 3 13.170 -3.737 -7.000 1.00 0.00 C ATOM 45 CG MET A 3 13.303 -5.010 -6.195 1.00 0.00 C ATOM 46 SD MET A 3 14.968 -5.325 -5.567 1.00 0.00 S ATOM 47 CE MET A 3 15.324 -3.699 -4.855 1.00 0.00 C ATOM 0 HA MET A 3 11.877 -4.655 -8.437 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.033 -3.626 -7.657 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.166 -2.877 -6.330 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.612 -4.967 -5.353 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.997 -5.852 -6.816 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.177 -3.776 -4.180 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.556 -2.995 -5.654 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.454 -3.346 -4.301 1.00 0.00 H new ATOM 57 N LYS A 4 10.155 -4.892 -6.453 1.00 0.00 N ATOM 58 CA LYS A 4 8.812 -4.944 -5.874 1.00 0.00 C ATOM 59 C LYS A 4 8.651 -6.034 -4.824 1.00 0.00 C ATOM 60 O LYS A 4 8.415 -7.192 -5.169 1.00 0.00 O ATOM 61 CB LYS A 4 7.799 -5.036 -7.029 1.00 0.00 C ATOM 62 CG LYS A 4 6.346 -5.357 -6.654 1.00 0.00 C ATOM 63 CD LYS A 4 5.420 -4.779 -7.732 1.00 0.00 C ATOM 64 CE LYS A 4 3.994 -5.322 -7.644 1.00 0.00 C ATOM 65 NZ LYS A 4 3.889 -6.712 -8.134 1.00 0.00 N ATOM 0 H LYS A 4 10.680 -5.766 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 4 8.622 -4.030 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.809 -4.087 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.146 -5.800 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.206 -6.435 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.104 -4.931 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.396 -3.693 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.830 -5.006 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.655 -5.278 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.329 -4.684 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.966 -6.850 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.648 -6.896 -8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.979 -7.370 -7.334 1.00 0.00 H new ATOM 79 N LYS A 5 8.753 -5.662 -3.543 1.00 0.00 N ATOM 80 CA LYS A 5 8.376 -6.552 -2.437 1.00 0.00 C ATOM 81 C LYS A 5 6.940 -6.302 -1.968 1.00 0.00 C ATOM 82 O LYS A 5 6.211 -5.486 -2.540 1.00 0.00 O ATOM 83 CB LYS A 5 9.394 -6.458 -1.292 1.00 0.00 C ATOM 84 CG LYS A 5 10.837 -6.815 -1.710 1.00 0.00 C ATOM 85 CD LYS A 5 11.346 -8.183 -1.246 1.00 0.00 C ATOM 86 CE LYS A 5 12.833 -8.282 -1.606 1.00 0.00 C ATOM 87 NZ LYS A 5 13.442 -9.569 -1.219 1.00 0.00 N ATOM 0 H LYS A 5 9.094 -4.748 -3.245 1.00 0.00 H new ATOM 0 HA LYS A 5 8.398 -7.577 -2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.382 -5.445 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.084 -7.124 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.901 -6.774 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.508 -6.048 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.206 -8.297 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.783 -8.983 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.950 -8.141 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.373 -7.471 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.475 -9.463 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.078 -9.860 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.203 -10.293 -1.926 1.00 0.00 H new ATOM 101 N TYR A 6 6.546 -7.032 -0.923 1.00 0.00 N ATOM 102 CA TYR A 6 5.198 -7.149 -0.373 1.00 0.00 C ATOM 103 C TYR A 6 5.256 -7.122 1.156 1.00 0.00 C ATOM 104 O TYR A 6 6.341 -7.200 1.736 1.00 0.00 O ATOM 105 CB TYR A 6 4.618 -8.496 -0.817 1.00 0.00 C ATOM 106 CG TYR A 6 4.447 -8.655 -2.311 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.556 -8.958 -3.123 1.00 0.00 C ATOM 108 CD2 TYR A 6 3.177 -8.491 -2.888 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.417 -9.020 -4.516 1.00 0.00 C ATOM 110 CE2 TYR A 6 3.018 -8.624 -4.275 1.00 0.00 C ATOM 111 CZ TYR A 6 4.141 -8.875 -5.096 1.00 0.00 C ATOM 112 OH TYR A 6 3.993 -8.993 -6.441 1.00 0.00 O ATOM 0 H TYR A 6 7.214 -7.599 -0.401 1.00 0.00 H new ATOM 0 HA TYR A 6 4.582 -6.322 -0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.268 -9.292 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.648 -8.633 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.519 -9.144 -2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.325 -8.263 -2.265 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.283 -9.178 -5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.036 -8.535 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 6 3.051 -8.867 -6.679 1.00 0.00 H new ATOM 122 N THR A 7 4.106 -7.075 1.825 1.00 0.00 N ATOM 123 CA THR A 7 3.964 -7.057 3.265 1.00 0.00 C ATOM 124 C THR A 7 3.120 -8.258 3.690 1.00 0.00 C ATOM 125 O THR A 7 2.549 -8.971 2.863 1.00 0.00 O ATOM 126 CB THR A 7 3.285 -5.741 3.670 1.00 0.00 C ATOM 127 OG1 THR A 7 1.997 -5.695 3.112 1.00 0.00 O ATOM 128 CG2 THR A 7 4.065 -4.503 3.223 1.00 0.00 C ATOM 0 H THR A 7 3.206 -7.047 1.345 1.00 0.00 H new ATOM 0 HA THR A 7 4.935 -7.121 3.756 1.00 0.00 H new ATOM 0 HB THR A 7 3.245 -5.724 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.558 -4.858 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.534 -3.605 3.539 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.057 -4.516 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.160 -4.505 2.137 1.00 0.00 H new ATOM 136 N LYS A 8 3.010 -8.464 5.001 1.00 0.00 N ATOM 137 CA LYS A 8 1.985 -9.330 5.576 1.00 0.00 C ATOM 138 C LYS A 8 0.651 -8.608 5.626 1.00 0.00 C ATOM 139 O LYS A 8 -0.377 -9.228 5.378 1.00 0.00 O ATOM 140 CB LYS A 8 2.352 -9.834 6.979 1.00 0.00 C ATOM 141 CG LYS A 8 3.468 -10.888 6.953 1.00 0.00 C ATOM 142 CD LYS A 8 4.772 -10.427 7.596 1.00 0.00 C ATOM 143 CE LYS A 8 5.326 -9.209 6.866 1.00 0.00 C ATOM 144 NZ LYS A 8 6.529 -8.661 7.518 1.00 0.00 N ATOM 0 H LYS A 8 3.627 -8.037 5.692 1.00 0.00 H new ATOM 0 HA LYS A 8 1.912 -10.201 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.668 -8.991 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.467 -10.259 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.119 -11.784 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.664 -11.169 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.601 -10.183 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.502 -11.236 7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.566 -9.483 5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.558 -8.437 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.867 -7.835 6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.297 -8.374 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.273 -9.387 7.540 1.00 0.00 H new ATOM 158 N THR A 9 0.638 -7.300 5.859 1.00 0.00 N ATOM 159 CA THR A 9 -0.566 -6.477 5.925 1.00 0.00 C ATOM 160 C THR A 9 -1.169 -6.194 4.527 1.00 0.00 C ATOM 161 O THR A 9 -1.957 -5.269 4.348 1.00 0.00 O ATOM 162 CB THR A 9 -0.223 -5.251 6.791 1.00 0.00 C ATOM 163 OG1 THR A 9 1.058 -4.735 6.462 1.00 0.00 O ATOM 164 CG2 THR A 9 -0.113 -5.671 8.267 1.00 0.00 C ATOM 0 H THR A 9 1.493 -6.765 6.012 1.00 0.00 H new ATOM 0 HA THR A 9 -1.392 -6.998 6.409 1.00 0.00 H new ATOM 0 HB THR A 9 -1.007 -4.514 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.134 -4.644 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.130 -4.800 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.063 -6.091 8.597 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.672 -6.419 8.375 1.00 0.00 H new ATOM 172 N HIS A 10 -0.869 -7.064 3.551 1.00 0.00 N ATOM 173 CA HIS A 10 -1.503 -7.205 2.247 1.00 0.00 C ATOM 174 C HIS A 10 -1.393 -5.947 1.399 1.00 0.00 C ATOM 175 O HIS A 10 -2.365 -5.471 0.815 1.00 0.00 O ATOM 176 CB HIS A 10 -2.909 -7.836 2.336 1.00 0.00 C ATOM 177 CG HIS A 10 -3.581 -7.853 3.690 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.542 -6.965 4.138 1.00 0.00 N ATOM 179 CD2 HIS A 10 -3.398 -8.802 4.660 1.00 0.00 C ATOM 180 CE1 HIS A 10 -4.957 -7.403 5.339 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.271 -8.507 5.683 1.00 0.00 N ATOM 0 H HIS A 10 -0.114 -7.739 3.671 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.928 -7.940 1.683 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.561 -7.304 1.643 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.839 -8.865 1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.701 -9.626 4.629 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.726 -6.938 5.938 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.378 -9.034 6.550 1.00 0.00 H new ATOM 190 N GLU A 11 -0.166 -5.467 1.250 1.00 0.00 N ATOM 191 CA GLU A 11 0.226 -4.347 0.421 1.00 0.00 C ATOM 192 C GLU A 11 1.329 -4.809 -0.532 1.00 0.00 C ATOM 193 O GLU A 11 2.213 -5.590 -0.157 1.00 0.00 O ATOM 194 CB GLU A 11 0.684 -3.148 1.276 1.00 0.00 C ATOM 195 CG GLU A 11 -0.371 -2.650 2.290 1.00 0.00 C ATOM 196 CD GLU A 11 -0.071 -2.885 3.782 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.857 -3.665 4.117 1.00 0.00 O ATOM 198 OE2 GLU A 11 -0.786 -2.305 4.627 1.00 0.00 O ATOM 0 H GLU A 11 0.629 -5.879 1.738 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.632 -4.004 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.588 -3.427 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.951 -2.325 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.510 -1.580 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.320 -3.131 2.055 1.00 0.00 H new ATOM 205 N TRP A 12 1.271 -4.327 -1.773 1.00 0.00 N ATOM 206 CA TRP A 12 2.366 -4.398 -2.733 1.00 0.00 C ATOM 207 C TRP A 12 3.153 -3.087 -2.659 1.00 0.00 C ATOM 208 O TRP A 12 2.640 -2.069 -2.183 1.00 0.00 O ATOM 209 CB TRP A 12 1.801 -4.638 -4.140 1.00 0.00 C ATOM 210 CG TRP A 12 0.731 -3.681 -4.581 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.598 -3.887 -4.455 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.866 -2.385 -5.243 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.289 -2.804 -4.948 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.438 -1.856 -5.467 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.948 -1.621 -5.732 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.661 -0.639 -6.131 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.729 -0.416 -6.430 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.432 0.077 -6.635 1.00 0.00 C ATOM 0 H TRP A 12 0.441 -3.866 -2.145 1.00 0.00 H new ATOM 0 HA TRP A 12 3.035 -5.226 -2.501 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.622 -4.591 -4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.398 -5.650 -4.183 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.051 -4.771 -4.030 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.305 -2.715 -4.931 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.959 -1.965 -5.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.665 -0.259 -6.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.574 0.137 -6.813 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.278 0.999 -7.176 1.00 0.00 H new ATOM 229 N VAL A 13 4.400 -3.107 -3.134 1.00 0.00 N ATOM 230 CA VAL A 13 5.326 -1.992 -3.035 1.00 0.00 C ATOM 231 C VAL A 13 6.039 -1.906 -4.384 1.00 0.00 C ATOM 232 O VAL A 13 6.921 -2.703 -4.664 1.00 0.00 O ATOM 233 CB VAL A 13 6.308 -2.228 -1.854 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.979 -0.914 -1.473 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.641 -2.783 -0.577 1.00 0.00 C ATOM 0 H VAL A 13 4.796 -3.919 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 13 4.822 -1.048 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 13 7.017 -2.973 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.667 -1.083 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.531 -0.526 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.220 -0.192 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.395 -2.919 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.884 -2.081 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.172 -3.742 -0.799 1.00 0.00 H new ATOM 245 N SER A 14 5.634 -0.996 -5.266 1.00 0.00 N ATOM 246 CA SER A 14 6.310 -0.762 -6.538 1.00 0.00 C ATOM 247 C SER A 14 7.461 0.205 -6.331 1.00 0.00 C ATOM 248 O SER A 14 7.276 1.403 -6.538 1.00 0.00 O ATOM 249 CB SER A 14 5.346 -0.136 -7.542 1.00 0.00 C ATOM 250 OG SER A 14 4.765 -1.119 -8.372 1.00 0.00 O ATOM 0 H SER A 14 4.822 -0.397 -5.117 1.00 0.00 H new ATOM 0 HA SER A 14 6.673 -1.718 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.563 0.404 -7.010 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.877 0.593 -8.154 1.00 0.00 H new ATOM 0 HG SER A 14 4.151 -0.692 -9.005 1.00 0.00 H new ATOM 256 N ILE A 15 8.645 -0.261 -5.944 1.00 0.00 N ATOM 257 CA ILE A 15 9.820 0.600 -5.965 1.00 0.00 C ATOM 258 C ILE A 15 10.153 0.852 -7.433 1.00 0.00 C ATOM 259 O ILE A 15 10.116 -0.062 -8.259 1.00 0.00 O ATOM 260 CB ILE A 15 10.996 0.009 -5.159 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.576 -0.250 -3.702 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.166 1.011 -5.149 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.070 -1.664 -3.444 1.00 0.00 C ATOM 0 H ILE A 15 8.814 -1.213 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 15 9.617 1.548 -5.467 1.00 0.00 H new ATOM 0 HB ILE A 15 11.295 -0.929 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.427 -0.055 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.795 0.460 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.997 0.594 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.488 1.205 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.842 1.944 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.794 -1.766 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.198 -1.858 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.855 -2.381 -3.684 1.00 0.00 H new ATOM 275 N GLU A 16 10.438 2.108 -7.771 1.00 0.00 N ATOM 276 CA GLU A 16 10.718 2.512 -9.138 1.00 0.00 C ATOM 277 C GLU A 16 12.098 3.157 -9.221 1.00 0.00 C ATOM 278 O GLU A 16 13.021 2.580 -9.799 1.00 0.00 O ATOM 279 CB GLU A 16 9.583 3.406 -9.659 1.00 0.00 C ATOM 280 CG GLU A 16 9.819 3.720 -11.141 1.00 0.00 C ATOM 281 CD GLU A 16 8.746 4.597 -11.779 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.996 5.324 -11.091 1.00 0.00 O ATOM 283 OE2 GLU A 16 8.664 4.573 -13.030 1.00 0.00 O ATOM 0 H GLU A 16 10.480 2.873 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 16 10.751 1.642 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.623 2.905 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.540 4.330 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.785 4.215 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.880 2.782 -11.693 1.00 0.00 H new ATOM 290 N ASP A 17 12.231 4.342 -8.626 1.00 0.00 N ATOM 291 CA ASP A 17 13.421 5.180 -8.729 1.00 0.00 C ATOM 292 C ASP A 17 13.936 5.378 -7.308 1.00 0.00 C ATOM 293 O ASP A 17 14.775 4.602 -6.856 1.00 0.00 O ATOM 294 CB ASP A 17 13.113 6.492 -9.477 1.00 0.00 C ATOM 295 CG ASP A 17 12.962 6.298 -10.986 1.00 0.00 C ATOM 296 OD1 ASP A 17 13.929 5.828 -11.626 1.00 0.00 O ATOM 297 OD2 ASP A 17 11.874 6.598 -11.527 1.00 0.00 O ATOM 0 H ASP A 17 11.498 4.753 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 17 14.203 4.711 -9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.195 6.924 -9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.912 7.209 -9.287 1.00 0.00 H new ATOM 302 N LYS A 18 13.394 6.348 -6.563 1.00 0.00 N ATOM 303 CA LYS A 18 13.637 6.534 -5.122 1.00 0.00 C ATOM 304 C LYS A 18 12.319 6.578 -4.358 1.00 0.00 C ATOM 305 O LYS A 18 12.281 6.986 -3.201 1.00 0.00 O ATOM 306 CB LYS A 18 14.442 7.812 -4.826 1.00 0.00 C ATOM 307 CG LYS A 18 15.783 7.951 -5.560 1.00 0.00 C ATOM 308 CD LYS A 18 15.723 8.495 -6.995 1.00 0.00 C ATOM 309 CE LYS A 18 15.080 9.886 -7.054 1.00 0.00 C ATOM 310 NZ LYS A 18 14.865 10.340 -8.440 1.00 0.00 N ATOM 0 H LYS A 18 12.758 7.044 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 18 14.227 5.680 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.823 8.673 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.632 7.857 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.427 8.606 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.262 6.972 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.731 8.543 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.156 7.806 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.126 9.866 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.717 10.601 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.429 11.284 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.778 10.384 -8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.236 9.672 -8.930 1.00 0.00 H new ATOM 324 N VAL A 19 11.235 6.192 -5.013 1.00 0.00 N ATOM 325 CA VAL A 19 9.889 6.228 -4.495 1.00 0.00 C ATOM 326 C VAL A 19 9.326 4.828 -4.727 1.00 0.00 C ATOM 327 O VAL A 19 9.732 4.146 -5.679 1.00 0.00 O ATOM 328 CB VAL A 19 9.124 7.372 -5.202 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.626 7.412 -4.898 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.687 8.745 -4.796 1.00 0.00 C ATOM 0 H VAL A 19 11.279 5.829 -5.965 1.00 0.00 H new ATOM 0 HA VAL A 19 9.812 6.451 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 19 9.262 7.165 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.168 8.243 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.165 6.477 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.476 7.544 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.132 9.532 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.590 8.874 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.739 8.804 -5.075 1.00 0.00 H new ATOM 340 N ALA A 20 8.415 4.403 -3.852 1.00 0.00 N ATOM 341 CA ALA A 20 7.576 3.237 -4.046 1.00 0.00 C ATOM 342 C ALA A 20 6.130 3.699 -4.052 1.00 0.00 C ATOM 343 O ALA A 20 5.741 4.549 -3.243 1.00 0.00 O ATOM 344 CB ALA A 20 7.806 2.193 -2.953 1.00 0.00 C ATOM 0 H ALA A 20 8.241 4.878 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 20 7.826 2.759 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.161 1.333 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.848 1.874 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.573 2.627 -1.981 1.00 0.00 H new ATOM 350 N THR A 21 5.333 3.112 -4.934 1.00 0.00 N ATOM 351 CA THR A 21 3.885 3.241 -4.897 1.00 0.00 C ATOM 352 C THR A 21 3.353 2.081 -4.060 1.00 0.00 C ATOM 353 O THR A 21 3.798 0.944 -4.241 1.00 0.00 O ATOM 354 CB THR A 21 3.323 3.235 -6.329 1.00 0.00 C ATOM 355 OG1 THR A 21 4.044 4.166 -7.108 1.00 0.00 O ATOM 356 CG2 THR A 21 1.838 3.610 -6.346 1.00 0.00 C ATOM 0 H THR A 21 5.676 2.530 -5.699 1.00 0.00 H new ATOM 0 HA THR A 21 3.574 4.183 -4.446 1.00 0.00 H new ATOM 0 HB THR A 21 3.427 2.229 -6.737 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.931 3.955 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.471 3.597 -7.372 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.275 2.892 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.710 4.608 -5.928 1.00 0.00 H new ATOM 364 N VAL A 22 2.445 2.378 -3.134 1.00 0.00 N ATOM 365 CA VAL A 22 1.757 1.409 -2.291 1.00 0.00 C ATOM 366 C VAL A 22 0.274 1.328 -2.688 1.00 0.00 C ATOM 367 O VAL A 22 -0.383 2.356 -2.881 1.00 0.00 O ATOM 368 CB VAL A 22 1.930 1.820 -0.813 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.494 0.692 0.134 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.386 2.214 -0.490 1.00 0.00 C ATOM 0 H VAL A 22 2.158 3.338 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 22 2.187 0.417 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 22 1.291 2.689 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.628 1.012 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.444 0.457 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.100 -0.194 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.462 2.496 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.044 1.368 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.682 3.057 -1.114 1.00 0.00 H new ATOM 380 N GLY A 23 -0.267 0.109 -2.725 1.00 0.00 N ATOM 381 CA GLY A 23 -1.690 -0.222 -2.768 1.00 0.00 C ATOM 382 C GLY A 23 -1.895 -1.553 -2.033 1.00 0.00 C ATOM 383 O GLY A 23 -0.904 -2.222 -1.713 1.00 0.00 O ATOM 0 H GLY A 23 0.317 -0.727 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.278 0.566 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.031 -0.301 -3.800 1.00 0.00 H new ATOM 387 N ILE A 24 -3.143 -1.951 -1.748 1.00 0.00 N ATOM 388 CA ILE A 24 -3.414 -3.267 -1.153 1.00 0.00 C ATOM 389 C ILE A 24 -3.521 -4.335 -2.251 1.00 0.00 C ATOM 390 O ILE A 24 -3.713 -4.017 -3.422 1.00 0.00 O ATOM 391 CB ILE A 24 -4.615 -3.273 -0.171 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.945 -2.785 -0.771 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.261 -2.435 1.072 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.157 -3.305 0.022 1.00 0.00 C ATOM 0 H ILE A 24 -3.975 -1.385 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.561 -3.521 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.783 -4.318 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.960 -1.695 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.019 -3.116 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.103 -2.437 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.387 -2.863 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.042 -1.411 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.076 -2.937 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.158 -4.395 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.097 -2.952 1.051 1.00 0.00 H new ATOM 406 N THR A 25 -3.340 -5.608 -1.900 1.00 0.00 N ATOM 407 CA THR A 25 -3.416 -6.724 -2.853 1.00 0.00 C ATOM 408 C THR A 25 -4.868 -7.228 -3.070 1.00 0.00 C ATOM 409 O THR A 25 -5.765 -6.916 -2.282 1.00 0.00 O ATOM 410 CB THR A 25 -2.476 -7.832 -2.341 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.695 -8.114 -0.964 1.00 0.00 O ATOM 412 CG2 THR A 25 -1.005 -7.416 -2.494 1.00 0.00 C ATOM 0 H THR A 25 -3.136 -5.899 -0.944 1.00 0.00 H new ATOM 0 HA THR A 25 -3.095 -6.390 -3.840 1.00 0.00 H new ATOM 0 HB THR A 25 -2.692 -8.717 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.361 -9.012 -0.757 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.361 -8.214 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.787 -7.230 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.822 -6.508 -1.919 1.00 0.00 H new ATOM 420 N ASN A 26 -5.117 -8.063 -4.093 1.00 0.00 N ATOM 421 CA ASN A 26 -6.433 -8.669 -4.378 1.00 0.00 C ATOM 422 C ASN A 26 -7.014 -9.419 -3.172 1.00 0.00 C ATOM 423 O ASN A 26 -8.191 -9.222 -2.857 1.00 0.00 O ATOM 424 CB ASN A 26 -6.372 -9.618 -5.586 1.00 0.00 C ATOM 425 CG ASN A 26 -7.742 -10.230 -5.910 1.00 0.00 C ATOM 426 OD1 ASN A 26 -8.158 -11.227 -5.327 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.477 -9.656 -6.851 1.00 0.00 N ATOM 0 H ASN A 26 -4.397 -8.342 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.095 -7.835 -4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.004 -9.074 -6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.658 -10.416 -5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.390 -10.042 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.130 -8.828 -7.335 1.00 0.00 H new ATOM 434 N HIS A 27 -6.195 -10.190 -2.439 1.00 0.00 N ATOM 435 CA HIS A 27 -6.609 -10.931 -1.232 1.00 0.00 C ATOM 436 C HIS A 27 -7.199 -10.026 -0.141 1.00 0.00 C ATOM 437 O HIS A 27 -7.686 -10.514 0.878 1.00 0.00 O ATOM 438 CB HIS A 27 -5.408 -11.723 -0.674 1.00 0.00 C ATOM 439 CG HIS A 27 -5.729 -12.893 0.241 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.725 -14.222 -0.134 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.982 -12.852 1.584 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.924 -14.973 0.966 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.053 -14.160 2.032 1.00 0.00 N ATOM 0 H HIS A 27 -5.210 -10.320 -2.670 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.405 -11.613 -1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.827 -12.099 -1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.767 -11.030 -0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.104 -11.963 2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.972 -16.052 0.990 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.181 -14.456 3.000 1.00 0.00 H new ATOM 452 N ALA A 28 -7.111 -8.702 -0.284 1.00 0.00 N ATOM 453 CA ALA A 28 -7.622 -7.730 0.666 1.00 0.00 C ATOM 454 C ALA A 28 -8.913 -7.094 0.174 1.00 0.00 C ATOM 455 O ALA A 28 -9.875 -7.077 0.942 1.00 0.00 O ATOM 456 CB ALA A 28 -6.524 -6.729 0.969 1.00 0.00 C ATOM 0 H ALA A 28 -6.666 -8.270 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.895 -8.221 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.891 -5.991 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.665 -7.248 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.225 -6.227 0.049 1.00 0.00 H new ATOM 462 N GLN A 29 -9.000 -6.646 -1.088 1.00 0.00 N ATOM 463 CA GLN A 29 -10.296 -6.209 -1.618 1.00 0.00 C ATOM 464 C GLN A 29 -11.323 -7.347 -1.557 1.00 0.00 C ATOM 465 O GLN A 29 -12.496 -7.085 -1.331 1.00 0.00 O ATOM 466 CB GLN A 29 -10.165 -5.546 -3.002 1.00 0.00 C ATOM 467 CG GLN A 29 -9.507 -6.342 -4.124 1.00 0.00 C ATOM 468 CD GLN A 29 -10.450 -7.285 -4.856 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.166 -6.909 -5.771 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.411 -8.558 -4.538 1.00 0.00 N ATOM 0 H GLN A 29 -8.218 -6.578 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.683 -5.420 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.165 -5.268 -3.334 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.602 -4.621 -2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.076 -5.646 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.683 -6.921 -3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.814 -8.875 -3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.978 -9.230 -5.055 1.00 0.00 H new ATOM 479 N GLU A 30 -10.888 -8.615 -1.590 1.00 0.00 N ATOM 480 CA GLU A 30 -11.739 -9.777 -1.434 1.00 0.00 C ATOM 481 C GLU A 30 -12.497 -9.744 -0.102 1.00 0.00 C ATOM 482 O GLU A 30 -13.656 -10.153 -0.042 1.00 0.00 O ATOM 483 CB GLU A 30 -10.852 -11.021 -1.521 1.00 0.00 C ATOM 484 CG GLU A 30 -10.817 -11.655 -2.915 1.00 0.00 C ATOM 485 CD GLU A 30 -12.073 -12.436 -3.319 1.00 0.00 C ATOM 486 OE1 GLU A 30 -13.198 -11.890 -3.258 1.00 0.00 O ATOM 487 OE2 GLU A 30 -11.921 -13.589 -3.790 1.00 0.00 O ATOM 0 H GLU A 30 -9.906 -8.854 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.492 -9.789 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.837 -10.754 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.207 -11.761 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.649 -10.867 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.960 -12.327 -2.968 1.00 0.00 H new ATOM 494 N GLN A 31 -11.856 -9.286 0.978 1.00 0.00 N ATOM 495 CA GLN A 31 -12.446 -9.359 2.310 1.00 0.00 C ATOM 496 C GLN A 31 -13.412 -8.201 2.575 1.00 0.00 C ATOM 497 O GLN A 31 -14.246 -8.320 3.475 1.00 0.00 O ATOM 498 CB GLN A 31 -11.368 -9.386 3.403 1.00 0.00 C ATOM 499 CG GLN A 31 -10.253 -10.412 3.174 1.00 0.00 C ATOM 500 CD GLN A 31 -10.748 -11.847 2.992 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.521 -12.381 3.786 1.00 0.00 O ATOM 502 NE2 GLN A 31 -10.306 -12.528 1.955 1.00 0.00 N ATOM 0 H GLN A 31 -10.929 -8.862 0.951 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.009 -10.292 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.921 -8.395 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.845 -9.595 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.683 -10.122 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.567 -10.381 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.665 -12.090 1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.605 -13.493 1.814 1.00 0.00 H new ATOM 511 N LEU A 32 -13.316 -7.099 1.822 1.00 0.00 N ATOM 512 CA LEU A 32 -14.153 -5.920 2.018 1.00 0.00 C ATOM 513 C LEU A 32 -15.251 -5.832 0.963 1.00 0.00 C ATOM 514 O LEU A 32 -16.351 -5.375 1.278 1.00 0.00 O ATOM 515 CB LEU A 32 -13.291 -4.643 2.028 1.00 0.00 C ATOM 516 CG LEU A 32 -12.329 -4.518 3.232 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.664 -3.137 3.267 1.00 0.00 C ATOM 518 CD2 LEU A 32 -13.038 -4.756 4.566 1.00 0.00 C ATOM 0 H LEU A 32 -12.650 -7.004 1.056 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.642 -6.013 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.706 -4.609 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.951 -3.776 2.017 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.571 -5.290 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.993 -3.078 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.095 -2.984 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.430 -2.366 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.321 -4.658 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.834 -4.022 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.465 -5.759 4.577 1.00 0.00 H new ATOM 530 N GLY A 33 -15.002 -6.307 -0.255 1.00 0.00 N ATOM 531 CA GLY A 33 -15.908 -6.148 -1.372 1.00 0.00 C ATOM 532 C GLY A 33 -16.053 -4.674 -1.698 1.00 0.00 C ATOM 533 O GLY A 33 -15.065 -3.980 -1.953 1.00 0.00 O ATOM 0 H GLY A 33 -14.152 -6.819 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.531 -6.688 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.881 -6.575 -1.129 1.00 0.00 H new ATOM 537 N ASP A 34 -17.293 -4.197 -1.686 1.00 0.00 N ATOM 538 CA ASP A 34 -17.610 -2.799 -1.926 1.00 0.00 C ATOM 539 C ASP A 34 -16.971 -1.974 -0.818 1.00 0.00 C ATOM 540 O ASP A 34 -17.313 -2.112 0.362 1.00 0.00 O ATOM 541 CB ASP A 34 -19.124 -2.557 -2.001 1.00 0.00 C ATOM 542 CG ASP A 34 -19.694 -2.984 -3.351 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.234 -2.485 -4.401 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.595 -3.852 -3.390 1.00 0.00 O ATOM 0 H ASP A 34 -18.112 -4.778 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.210 -2.498 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.621 -3.110 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.333 -1.500 -1.835 1.00 0.00 H new ATOM 549 N VAL A 35 -16.010 -1.134 -1.195 1.00 0.00 N ATOM 550 CA VAL A 35 -15.608 -0.011 -0.367 1.00 0.00 C ATOM 551 C VAL A 35 -16.396 1.210 -0.848 1.00 0.00 C ATOM 552 O VAL A 35 -17.398 1.098 -1.550 1.00 0.00 O ATOM 553 CB VAL A 35 -14.080 0.203 -0.319 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.688 0.836 1.029 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.274 -1.091 -0.405 1.00 0.00 C ATOM 0 H VAL A 35 -15.496 -1.214 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.850 -0.210 0.677 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.853 0.832 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.609 0.986 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.191 1.796 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.986 0.174 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.210 -0.860 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.536 -1.739 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.500 -1.599 -1.343 1.00 0.00 H new ATOM 565 N VAL A 36 -16.016 2.367 -0.328 1.00 0.00 N ATOM 566 CA VAL A 36 -16.900 3.483 -0.061 1.00 0.00 C ATOM 567 C VAL A 36 -16.046 4.670 0.363 1.00 0.00 C ATOM 568 O VAL A 36 -16.432 5.808 0.097 1.00 0.00 O ATOM 569 CB VAL A 36 -17.881 3.048 1.053 1.00 0.00 C ATOM 570 CG1 VAL A 36 -17.413 3.243 2.487 1.00 0.00 C ATOM 571 CG2 VAL A 36 -19.299 3.579 0.854 1.00 0.00 C ATOM 0 H VAL A 36 -15.047 2.558 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.478 3.776 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.900 1.966 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.188 2.901 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.502 2.669 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.213 4.300 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.934 3.236 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -19.281 4.669 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.696 3.212 -0.093 1.00 0.00 H new ATOM 581 N TYR A 37 -14.899 4.403 1.010 1.00 0.00 N ATOM 582 CA TYR A 37 -13.975 5.455 1.413 1.00 0.00 C ATOM 583 C TYR A 37 -12.532 4.952 1.519 1.00 0.00 C ATOM 584 O TYR A 37 -12.325 3.750 1.676 1.00 0.00 O ATOM 585 CB TYR A 37 -14.462 5.978 2.767 1.00 0.00 C ATOM 586 CG TYR A 37 -13.714 7.206 3.235 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.697 8.363 2.435 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.952 7.161 4.417 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.918 9.466 2.813 1.00 0.00 C ATOM 590 CE2 TYR A 37 -12.166 8.262 4.801 1.00 0.00 C ATOM 591 CZ TYR A 37 -12.148 9.427 3.998 1.00 0.00 C ATOM 592 OH TYR A 37 -11.384 10.498 4.352 1.00 0.00 O ATOM 0 H TYR A 37 -14.597 3.462 1.262 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.964 6.243 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.524 6.212 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.357 5.190 3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.284 8.402 1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.971 6.275 5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.906 10.351 2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.578 8.219 5.706 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.920 10.305 5.193 1.00 0.00 H new ATOM 602 N VAL A 38 -11.550 5.861 1.482 1.00 0.00 N ATOM 603 CA VAL A 38 -10.220 5.655 2.047 1.00 0.00 C ATOM 604 C VAL A 38 -9.775 6.947 2.694 1.00 0.00 C ATOM 605 O VAL A 38 -10.069 8.045 2.208 1.00 0.00 O ATOM 606 CB VAL A 38 -9.168 5.120 1.041 1.00 0.00 C ATOM 607 CG1 VAL A 38 -9.689 4.043 0.087 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.515 6.223 0.197 1.00 0.00 C ATOM 0 H VAL A 38 -11.665 6.777 1.049 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.295 4.860 2.789 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.425 4.669 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.886 3.728 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.040 3.186 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.513 4.446 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.790 5.778 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.281 6.743 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.009 6.932 0.853 1.00 0.00 H new ATOM 618 N ASP A 39 -9.029 6.803 3.782 1.00 0.00 N ATOM 619 CA ASP A 39 -8.347 7.907 4.420 1.00 0.00 C ATOM 620 C ASP A 39 -6.952 8.049 3.800 1.00 0.00 C ATOM 621 O ASP A 39 -6.405 7.033 3.368 1.00 0.00 O ATOM 622 CB ASP A 39 -8.237 7.637 5.926 1.00 0.00 C ATOM 623 CG ASP A 39 -7.721 8.884 6.639 1.00 0.00 C ATOM 624 OD1 ASP A 39 -8.368 9.947 6.515 1.00 0.00 O ATOM 625 OD2 ASP A 39 -6.666 8.819 7.302 1.00 0.00 O ATOM 0 H ASP A 39 -8.883 5.906 4.246 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.904 8.832 4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.211 7.355 6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.564 6.799 6.106 1.00 0.00 H new ATOM 630 N LEU A 40 -6.352 9.244 3.733 1.00 0.00 N ATOM 631 CA LEU A 40 -4.986 9.410 3.219 1.00 0.00 C ATOM 632 C LEU A 40 -4.164 10.330 4.128 1.00 0.00 C ATOM 633 O LEU A 40 -4.746 11.168 4.823 1.00 0.00 O ATOM 634 CB LEU A 40 -4.997 9.909 1.753 1.00 0.00 C ATOM 635 CG LEU A 40 -5.344 8.805 0.735 1.00 0.00 C ATOM 636 CD1 LEU A 40 -5.670 9.420 -0.628 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.197 7.797 0.566 1.00 0.00 C ATOM 0 H LEU A 40 -6.793 10.114 4.030 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.503 8.433 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.719 10.720 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.018 10.323 1.510 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.213 8.276 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.913 8.628 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.522 10.092 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.807 9.979 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.485 7.037 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.305 8.316 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.986 7.322 1.524 1.00 0.00 H new ATOM 649 N PRO A 41 -2.823 10.193 4.108 1.00 0.00 N ATOM 650 CA PRO A 41 -1.881 11.021 4.854 1.00 0.00 C ATOM 651 C PRO A 41 -1.619 12.327 4.082 1.00 0.00 C ATOM 652 O PRO A 41 -2.385 12.685 3.188 1.00 0.00 O ATOM 653 CB PRO A 41 -0.630 10.157 4.997 1.00 0.00 C ATOM 654 CG PRO A 41 -0.635 9.324 3.722 1.00 0.00 C ATOM 655 CD PRO A 41 -2.090 9.237 3.295 1.00 0.00 C ATOM 0 HA PRO A 41 -2.248 11.325 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.272 10.764 5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.673 9.530 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.027 9.790 2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.219 8.332 3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.197 9.469 2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.476 8.228 3.441 1.00 0.00 H new ATOM 663 N GLU A 42 -0.554 13.063 4.416 1.00 0.00 N ATOM 664 CA GLU A 42 -0.126 14.263 3.713 1.00 0.00 C ATOM 665 C GLU A 42 1.160 14.007 2.926 1.00 0.00 C ATOM 666 O GLU A 42 2.038 13.272 3.375 1.00 0.00 O ATOM 667 CB GLU A 42 0.107 15.371 4.737 1.00 0.00 C ATOM 668 CG GLU A 42 0.351 16.729 4.088 1.00 0.00 C ATOM 669 CD GLU A 42 0.420 17.865 5.115 1.00 0.00 C ATOM 670 OE1 GLU A 42 0.853 17.622 6.265 1.00 0.00 O ATOM 671 OE2 GLU A 42 0.010 19.002 4.766 1.00 0.00 O ATOM 0 H GLU A 42 0.047 12.828 5.206 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.901 14.558 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.758 15.438 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.963 15.111 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.283 16.696 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.447 16.936 3.375 1.00 0.00 H new ATOM 678 N VAL A 43 1.309 14.711 1.807 1.00 0.00 N ATOM 679 CA VAL A 43 2.375 14.720 0.800 1.00 0.00 C ATOM 680 C VAL A 43 3.802 15.098 1.268 1.00 0.00 C ATOM 681 O VAL A 43 4.712 15.326 0.471 1.00 0.00 O ATOM 682 CB VAL A 43 1.827 15.620 -0.348 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.484 16.999 -0.491 1.00 0.00 C ATOM 684 CG2 VAL A 43 1.853 14.880 -1.673 1.00 0.00 C ATOM 0 H VAL A 43 0.586 15.382 1.548 1.00 0.00 H new ATOM 0 HA VAL A 43 2.572 13.696 0.483 1.00 0.00 H new ATOM 0 HB VAL A 43 0.800 15.834 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.024 17.537 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.346 17.565 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.550 16.876 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.466 15.528 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.878 14.594 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.234 13.986 -1.602 1.00 0.00 H new ATOM 694 N GLY A 44 4.017 15.163 2.567 1.00 0.00 N ATOM 695 CA GLY A 44 5.290 15.434 3.224 1.00 0.00 C ATOM 696 C GLY A 44 5.347 14.850 4.633 1.00 0.00 C ATOM 697 O GLY A 44 6.149 15.289 5.458 1.00 0.00 O ATOM 0 H GLY A 44 3.263 15.020 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.101 15.018 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.450 16.511 3.272 1.00 0.00 H new ATOM 701 N ARG A 45 4.457 13.905 4.962 1.00 0.00 N ATOM 702 CA ARG A 45 4.514 13.262 6.276 1.00 0.00 C ATOM 703 C ARG A 45 5.615 12.206 6.243 1.00 0.00 C ATOM 704 O ARG A 45 5.745 11.505 5.237 1.00 0.00 O ATOM 705 CB ARG A 45 3.151 12.638 6.595 1.00 0.00 C ATOM 706 CG ARG A 45 2.991 12.469 8.109 1.00 0.00 C ATOM 707 CD ARG A 45 1.669 11.782 8.431 1.00 0.00 C ATOM 708 NE ARG A 45 1.445 11.684 9.884 1.00 0.00 N ATOM 709 CZ ARG A 45 0.978 12.630 10.716 1.00 0.00 C ATOM 710 NH1 ARG A 45 0.633 13.840 10.279 1.00 0.00 N ATOM 711 NH2 ARG A 45 0.853 12.352 12.008 1.00 0.00 N ATOM 0 H ARG A 45 3.708 13.577 4.353 1.00 0.00 H new ATOM 0 HA ARG A 45 4.741 13.987 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.353 13.270 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.061 11.670 6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.819 11.881 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.030 13.443 8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.850 12.337 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.662 10.784 7.994 1.00 0.00 H new ATOM 0 HE ARG A 45 1.673 10.786 10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.720 14.069 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.281 14.538 10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.110 11.429 12.358 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.500 13.061 12.650 1.00 0.00 H new ATOM 725 N GLU A 46 6.395 12.029 7.307 1.00 0.00 N ATOM 726 CA GLU A 46 7.291 10.910 7.412 1.00 0.00 C ATOM 727 C GLU A 46 6.475 9.704 7.902 1.00 0.00 C ATOM 728 O GLU A 46 5.424 9.876 8.525 1.00 0.00 O ATOM 729 CB GLU A 46 8.449 11.341 8.325 1.00 0.00 C ATOM 730 CG GLU A 46 9.292 10.116 8.597 1.00 0.00 C ATOM 731 CD GLU A 46 10.662 10.350 9.229 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.767 10.871 10.358 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.671 9.962 8.594 1.00 0.00 O ATOM 0 H GLU A 46 6.415 12.660 8.108 1.00 0.00 H new ATOM 0 HA GLU A 46 7.741 10.602 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.045 12.119 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.068 11.759 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.726 9.452 9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.438 9.588 7.655 1.00 0.00 H new ATOM 740 N VAL A 47 6.931 8.480 7.622 1.00 0.00 N ATOM 741 CA VAL A 47 6.341 7.233 8.088 1.00 0.00 C ATOM 742 C VAL A 47 7.446 6.242 8.500 1.00 0.00 C ATOM 743 O VAL A 47 8.595 6.344 8.063 1.00 0.00 O ATOM 744 CB VAL A 47 5.397 6.669 7.001 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.189 7.600 6.771 1.00 0.00 C ATOM 746 CG2 VAL A 47 6.115 6.441 5.657 1.00 0.00 C ATOM 0 H VAL A 47 7.755 8.330 7.040 1.00 0.00 H new ATOM 0 HA VAL A 47 5.738 7.412 8.978 1.00 0.00 H new ATOM 0 HB VAL A 47 5.052 5.705 7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.544 7.176 6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.627 7.703 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.541 8.580 6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.407 6.044 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.517 7.387 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.929 5.730 5.796 1.00 0.00 H new ATOM 756 N LYS A 48 7.083 5.236 9.301 1.00 0.00 N ATOM 757 CA LYS A 48 7.898 4.087 9.701 1.00 0.00 C ATOM 758 C LYS A 48 7.123 2.829 9.311 1.00 0.00 C ATOM 759 O LYS A 48 5.911 2.917 9.099 1.00 0.00 O ATOM 760 CB LYS A 48 8.179 4.152 11.211 1.00 0.00 C ATOM 761 CG LYS A 48 9.337 5.095 11.590 1.00 0.00 C ATOM 762 CD LYS A 48 10.750 4.565 11.286 1.00 0.00 C ATOM 763 CE LYS A 48 11.061 3.270 12.049 1.00 0.00 C ATOM 764 NZ LYS A 48 12.459 2.831 11.886 1.00 0.00 N ATOM 0 H LYS A 48 6.151 5.201 9.714 1.00 0.00 H new ATOM 0 HA LYS A 48 8.867 4.083 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.275 4.478 11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.407 3.149 11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.201 6.039 11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.271 5.313 12.656 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.846 4.386 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.486 5.325 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.853 3.419 13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.394 2.480 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.612 1.953 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.654 2.660 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.099 3.570 12.242 1.00 0.00 H new ATOM 778 N LYS A 49 7.785 1.668 9.243 1.00 0.00 N ATOM 779 CA LYS A 49 7.313 0.501 8.481 1.00 0.00 C ATOM 780 C LYS A 49 6.155 -0.307 9.077 1.00 0.00 C ATOM 781 O LYS A 49 5.982 -1.491 8.773 1.00 0.00 O ATOM 782 CB LYS A 49 8.498 -0.362 8.045 1.00 0.00 C ATOM 783 CG LYS A 49 9.076 -1.409 9.009 1.00 0.00 C ATOM 784 CD LYS A 49 9.992 -2.369 8.228 1.00 0.00 C ATOM 785 CE LYS A 49 10.136 -3.730 8.913 1.00 0.00 C ATOM 786 NZ LYS A 49 10.796 -3.633 10.228 1.00 0.00 N ATOM 0 H LYS A 49 8.673 1.509 9.720 1.00 0.00 H new ATOM 0 HA LYS A 49 6.831 0.924 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.202 -0.886 7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.310 0.313 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.638 -0.918 9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.269 -1.965 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.592 -2.512 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.977 -1.916 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.150 -4.177 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.710 -4.398 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.708 -4.132 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.957 -2.633 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.189 -4.066 10.954 1.00 0.00 H new ATOM 800 N GLY A 50 5.368 0.322 9.931 1.00 0.00 N ATOM 801 CA GLY A 50 4.127 -0.227 10.448 1.00 0.00 C ATOM 802 C GLY A 50 3.105 0.833 10.844 1.00 0.00 C ATOM 803 O GLY A 50 2.223 0.542 11.649 1.00 0.00 O ATOM 0 H GLY A 50 5.579 1.252 10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.687 -0.879 9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.349 -0.848 11.316 1.00 0.00 H new ATOM 807 N GLU A 51 3.217 2.078 10.380 1.00 0.00 N ATOM 808 CA GLU A 51 2.293 3.136 10.750 1.00 0.00 C ATOM 809 C GLU A 51 0.977 3.020 9.973 1.00 0.00 C ATOM 810 O GLU A 51 0.992 2.702 8.787 1.00 0.00 O ATOM 811 CB GLU A 51 2.986 4.465 10.458 1.00 0.00 C ATOM 812 CG GLU A 51 4.101 4.702 11.485 1.00 0.00 C ATOM 813 CD GLU A 51 4.580 6.152 11.533 1.00 0.00 C ATOM 814 OE1 GLU A 51 4.182 6.985 10.692 1.00 0.00 O ATOM 815 OE2 GLU A 51 5.279 6.512 12.502 1.00 0.00 O ATOM 0 H GLU A 51 3.952 2.375 9.738 1.00 0.00 H new ATOM 0 HA GLU A 51 2.036 3.062 11.807 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.402 4.456 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.263 5.280 10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.743 4.412 12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.946 4.055 11.249 1.00 0.00 H new ATOM 822 N VAL A 52 -0.146 3.334 10.624 1.00 0.00 N ATOM 823 CA VAL A 52 -1.473 3.331 10.013 1.00 0.00 C ATOM 824 C VAL A 52 -1.775 4.757 9.581 1.00 0.00 C ATOM 825 O VAL A 52 -2.011 5.630 10.419 1.00 0.00 O ATOM 826 CB VAL A 52 -2.569 2.757 10.930 1.00 0.00 C ATOM 827 CG1 VAL A 52 -3.951 2.872 10.273 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.263 1.294 11.244 1.00 0.00 C ATOM 0 H VAL A 52 -0.156 3.602 11.608 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.471 2.662 9.153 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.582 3.334 11.855 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.707 2.460 10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.174 3.921 10.076 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.955 2.318 9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.040 0.891 11.893 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.232 0.722 10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.298 1.224 11.747 1.00 0.00 H new ATOM 838 N VAL A 53 -1.732 4.997 8.279 1.00 0.00 N ATOM 839 CA VAL A 53 -1.637 6.332 7.695 1.00 0.00 C ATOM 840 C VAL A 53 -2.627 6.519 6.545 1.00 0.00 C ATOM 841 O VAL A 53 -2.599 7.550 5.881 1.00 0.00 O ATOM 842 CB VAL A 53 -0.192 6.526 7.186 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.880 6.369 8.261 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.165 5.479 6.128 1.00 0.00 C ATOM 0 H VAL A 53 -1.763 4.254 7.581 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.885 7.074 8.454 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.192 7.546 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.864 6.521 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.718 7.107 9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.824 5.367 8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.188 5.640 5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.079 4.482 6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.517 5.569 5.283 1.00 0.00 H new ATOM 854 N ALA A 54 -3.376 5.471 6.199 1.00 0.00 N ATOM 855 CA ALA A 54 -4.075 5.372 4.932 1.00 0.00 C ATOM 856 C ALA A 54 -5.202 4.337 5.034 1.00 0.00 C ATOM 857 O ALA A 54 -5.293 3.451 4.184 1.00 0.00 O ATOM 858 CB ALA A 54 -3.035 5.006 3.858 1.00 0.00 C ATOM 0 H ALA A 54 -3.511 4.661 6.804 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.548 6.316 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.527 4.923 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.271 5.782 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.570 4.054 4.112 1.00 0.00 H new ATOM 864 N SER A 55 -6.001 4.386 6.103 1.00 0.00 N ATOM 865 CA SER A 55 -7.081 3.439 6.354 1.00 0.00 C ATOM 866 C SER A 55 -8.005 3.299 5.140 1.00 0.00 C ATOM 867 O SER A 55 -8.079 4.173 4.273 1.00 0.00 O ATOM 868 CB SER A 55 -7.891 3.900 7.576 1.00 0.00 C ATOM 869 OG SER A 55 -8.627 2.848 8.173 1.00 0.00 O ATOM 0 H SER A 55 -5.911 5.098 6.828 1.00 0.00 H new ATOM 0 HA SER A 55 -6.638 2.462 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.214 4.329 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.577 4.692 7.274 1.00 0.00 H new ATOM 0 HG SER A 55 -9.243 3.217 8.840 1.00 0.00 H new ATOM 875 N ILE A 56 -8.740 2.194 5.116 1.00 0.00 N ATOM 876 CA ILE A 56 -9.737 1.859 4.121 1.00 0.00 C ATOM 877 C ILE A 56 -10.967 1.511 4.951 1.00 0.00 C ATOM 878 O ILE A 56 -10.953 0.524 5.692 1.00 0.00 O ATOM 879 CB ILE A 56 -9.228 0.692 3.245 1.00 0.00 C ATOM 880 CG1 ILE A 56 -7.842 0.978 2.638 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.279 0.320 2.187 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.304 -0.120 1.711 1.00 0.00 C ATOM 0 H ILE A 56 -8.647 1.472 5.831 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.961 2.658 3.414 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.087 -0.178 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.892 1.913 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.130 1.129 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.906 -0.503 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.202 0.017 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.475 1.183 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.324 0.171 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.216 -1.054 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.989 -0.258 0.875 1.00 0.00 H new ATOM 894 N GLU A 57 -12.015 2.325 4.901 1.00 0.00 N ATOM 895 CA GLU A 57 -13.272 2.102 5.596 1.00 0.00 C ATOM 896 C GLU A 57 -14.296 1.754 4.535 1.00 0.00 C ATOM 897 O GLU A 57 -14.385 2.468 3.545 1.00 0.00 O ATOM 898 CB GLU A 57 -13.703 3.363 6.350 1.00 0.00 C ATOM 899 CG GLU A 57 -13.398 3.260 7.850 1.00 0.00 C ATOM 900 CD GLU A 57 -11.929 3.386 8.273 1.00 0.00 C ATOM 901 OE1 GLU A 57 -11.207 4.304 7.828 1.00 0.00 O ATOM 902 OE2 GLU A 57 -11.516 2.627 9.178 1.00 0.00 O ATOM 0 H GLU A 57 -12.010 3.187 4.356 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.173 1.302 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.190 4.229 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.771 3.526 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.966 4.035 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.772 2.300 8.206 1.00 0.00 H new ATOM 909 N SER A 58 -15.057 0.678 4.734 1.00 0.00 N ATOM 910 CA SER A 58 -15.955 0.100 3.749 1.00 0.00 C ATOM 911 C SER A 58 -17.405 0.274 4.191 1.00 0.00 C ATOM 912 O SER A 58 -17.701 0.960 5.181 1.00 0.00 O ATOM 913 CB SER A 58 -15.586 -1.373 3.525 1.00 0.00 C ATOM 914 OG SER A 58 -15.860 -2.113 4.692 1.00 0.00 O ATOM 0 H SER A 58 -15.061 0.171 5.619 1.00 0.00 H new ATOM 0 HA SER A 58 -15.849 0.619 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.152 -1.776 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.530 -1.459 3.268 1.00 0.00 H new ATOM 0 HG SER A 58 -15.778 -3.070 4.499 1.00 0.00 H new ATOM 920 N VAL A 59 -18.318 -0.354 3.446 1.00 0.00 N ATOM 921 CA VAL A 59 -19.747 -0.384 3.722 1.00 0.00 C ATOM 922 C VAL A 59 -20.037 -0.758 5.187 1.00 0.00 C ATOM 923 O VAL A 59 -20.817 -0.045 5.819 1.00 0.00 O ATOM 924 CB VAL A 59 -20.445 -1.267 2.665 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.311 -0.617 1.275 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.869 -2.688 2.577 1.00 0.00 C ATOM 0 H VAL A 59 -18.068 -0.873 2.604 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.176 0.613 3.625 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.486 -1.345 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.805 -1.243 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.777 0.368 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.256 -0.516 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.407 -3.252 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.813 -2.637 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.978 -3.185 3.541 1.00 0.00 H new ATOM 936 N LYS A 60 -19.355 -1.764 5.759 1.00 0.00 N ATOM 937 CA LYS A 60 -19.176 -1.950 7.205 1.00 0.00 C ATOM 938 C LYS A 60 -17.917 -2.776 7.447 1.00 0.00 C ATOM 939 O LYS A 60 -18.008 -4.007 7.512 1.00 0.00 O ATOM 940 CB LYS A 60 -20.377 -2.640 7.901 1.00 0.00 C ATOM 941 CG LYS A 60 -21.460 -1.671 8.394 1.00 0.00 C ATOM 942 CD LYS A 60 -22.733 -1.761 7.554 1.00 0.00 C ATOM 943 CE LYS A 60 -23.552 -0.505 7.827 1.00 0.00 C ATOM 944 NZ LYS A 60 -24.785 -0.492 7.029 1.00 0.00 N ATOM 0 H LYS A 60 -18.899 -2.492 5.209 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.094 -0.954 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.828 -3.348 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.008 -3.217 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -21.696 -1.891 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -21.076 -0.651 8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.489 -1.836 6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -23.302 -2.654 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -23.801 -0.453 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -22.957 0.378 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -25.323 0.374 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -24.544 -0.518 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -25.362 -1.323 7.269 1.00 0.00 H new ATOM 958 N ALA A 61 -16.752 -2.140 7.556 1.00 0.00 N ATOM 959 CA ALA A 61 -15.524 -2.669 8.148 1.00 0.00 C ATOM 960 C ALA A 61 -14.418 -1.622 8.001 1.00 0.00 C ATOM 961 O ALA A 61 -14.606 -0.585 7.356 1.00 0.00 O ATOM 962 CB ALA A 61 -15.073 -3.972 7.473 1.00 0.00 C ATOM 0 H ALA A 61 -16.633 -1.187 7.214 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.721 -2.889 9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.157 -4.328 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.853 -4.726 7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.888 -3.788 6.415 1.00 0.00 H new ATOM 968 N ALA A 62 -13.233 -1.946 8.522 1.00 0.00 N ATOM 969 CA ALA A 62 -11.994 -1.212 8.323 1.00 0.00 C ATOM 970 C ALA A 62 -10.855 -2.159 7.965 1.00 0.00 C ATOM 971 O ALA A 62 -10.785 -3.272 8.501 1.00 0.00 O ATOM 972 CB ALA A 62 -11.627 -0.487 9.597 1.00 0.00 C ATOM 0 H ALA A 62 -13.112 -2.764 9.119 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.145 -0.505 7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.698 0.063 9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.423 0.209 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.495 -1.210 10.402 1.00 0.00 H new ATOM 978 N ALA A 63 -9.923 -1.673 7.150 1.00 0.00 N ATOM 979 CA ALA A 63 -8.654 -2.279 6.803 1.00 0.00 C ATOM 980 C ALA A 63 -7.598 -1.184 6.947 1.00 0.00 C ATOM 981 O ALA A 63 -7.480 -0.315 6.084 1.00 0.00 O ATOM 982 CB ALA A 63 -8.716 -2.860 5.389 1.00 0.00 C ATOM 0 H ALA A 63 -10.052 -0.776 6.682 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.404 -3.115 7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.756 -3.313 5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.498 -3.618 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.938 -2.064 4.678 1.00 0.00 H new ATOM 988 N ASP A 64 -6.874 -1.184 8.065 1.00 0.00 N ATOM 989 CA ASP A 64 -5.766 -0.274 8.324 1.00 0.00 C ATOM 990 C ASP A 64 -4.678 -0.600 7.282 1.00 0.00 C ATOM 991 O ASP A 64 -4.231 -1.752 7.211 1.00 0.00 O ATOM 992 CB ASP A 64 -5.157 -0.530 9.729 1.00 0.00 C ATOM 993 CG ASP A 64 -6.090 -0.656 10.937 1.00 0.00 C ATOM 994 OD1 ASP A 64 -7.193 -0.070 10.927 1.00 0.00 O ATOM 995 OD2 ASP A 64 -5.719 -1.389 11.892 1.00 0.00 O ATOM 0 H ASP A 64 -7.048 -1.833 8.832 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.114 0.758 8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.571 -1.447 9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.459 0.281 9.937 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.245 0.350 6.450 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.026 0.172 5.656 1.00 0.00 C ATOM 1002 C VAL A 65 -1.844 0.483 6.569 1.00 0.00 C ATOM 1003 O VAL A 65 -1.775 1.599 7.095 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.048 1.091 4.428 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.709 1.119 3.671 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.150 0.620 3.470 1.00 0.00 C ATOM 0 H VAL A 65 -4.716 1.244 6.309 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.947 -0.848 5.281 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.238 2.102 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.790 1.787 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.922 1.476 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.465 0.114 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.172 1.268 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.947 -0.405 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.114 0.661 3.976 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.910 -0.458 6.724 1.00 0.00 N ATOM 1017 CA TYR A 66 0.277 -0.290 7.542 1.00 0.00 C ATOM 1018 C TYR A 66 1.475 -0.042 6.628 1.00 0.00 C ATOM 1019 O TYR A 66 2.013 -0.970 6.014 1.00 0.00 O ATOM 1020 CB TYR A 66 0.537 -1.493 8.447 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.558 -1.835 9.440 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -1.590 -2.698 9.046 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -0.541 -1.330 10.752 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -2.567 -3.112 9.958 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -1.516 -1.743 11.678 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.556 -2.609 11.278 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.524 -2.939 12.173 1.00 0.00 O ATOM 0 H TYR A 66 -0.965 -1.371 6.274 1.00 0.00 H new ATOM 0 HA TYR A 66 0.119 0.565 8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.711 -2.365 7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.458 -1.312 9.002 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.632 -3.048 8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.221 -0.625 11.049 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.328 -3.815 9.653 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.468 -1.396 12.700 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.350 -2.461 11.952 1.00 0.00 H new ATOM 1037 N ALA A 67 1.909 1.221 6.599 1.00 0.00 N ATOM 1038 CA ALA A 67 3.051 1.775 5.886 1.00 0.00 C ATOM 1039 C ALA A 67 4.152 0.734 5.652 1.00 0.00 C ATOM 1040 O ALA A 67 4.739 0.277 6.630 1.00 0.00 O ATOM 1041 CB ALA A 67 3.592 2.961 6.689 1.00 0.00 C ATOM 0 H ALA A 67 1.420 1.945 7.125 1.00 0.00 H new ATOM 0 HA ALA A 67 2.722 2.101 4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.449 3.391 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.813 3.717 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.899 2.621 7.678 1.00 0.00 H new ATOM 1047 N PRO A 68 4.438 0.319 4.404 1.00 0.00 N ATOM 1048 CA PRO A 68 5.217 -0.889 4.157 1.00 0.00 C ATOM 1049 C PRO A 68 6.688 -0.747 4.550 1.00 0.00 C ATOM 1050 O PRO A 68 7.295 -1.731 4.978 1.00 0.00 O ATOM 1051 CB PRO A 68 5.062 -1.172 2.661 1.00 0.00 C ATOM 1052 CG PRO A 68 4.787 0.201 2.062 1.00 0.00 C ATOM 1053 CD PRO A 68 3.951 0.871 3.153 1.00 0.00 C ATOM 0 HA PRO A 68 4.852 -1.711 4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.964 -1.619 2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.243 -1.865 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.708 0.749 1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.245 0.132 1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.069 1.954 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.890 0.663 3.018 1.00 0.00 H new ATOM 1061 N LEU A 69 7.257 0.451 4.383 1.00 0.00 N ATOM 1062 CA LEU A 69 8.635 0.806 4.693 1.00 0.00 C ATOM 1063 C LEU A 69 8.595 2.070 5.547 1.00 0.00 C ATOM 1064 O LEU A 69 7.590 2.783 5.600 1.00 0.00 O ATOM 1065 CB LEU A 69 9.468 1.105 3.422 1.00 0.00 C ATOM 1066 CG LEU A 69 9.958 -0.041 2.534 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.849 -1.045 3.266 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.809 -0.740 1.821 1.00 0.00 C ATOM 0 H LEU A 69 6.733 1.241 4.006 1.00 0.00 H new ATOM 0 HA LEU A 69 9.104 -0.034 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.873 1.768 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.347 1.668 3.737 1.00 0.00 H new ATOM 0 HG LEU A 69 10.588 0.429 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.158 -1.829 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.731 -0.534 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.294 -1.489 4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.202 -1.546 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.120 -1.151 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.282 -0.023 1.192 1.00 0.00 H new ATOM 1080 N SER A 70 9.726 2.370 6.166 1.00 0.00 N ATOM 1081 CA SER A 70 10.104 3.700 6.586 1.00 0.00 C ATOM 1082 C SER A 70 10.343 4.542 5.336 1.00 0.00 C ATOM 1083 O SER A 70 10.699 4.009 4.279 1.00 0.00 O ATOM 1084 CB SER A 70 11.375 3.621 7.437 1.00 0.00 C ATOM 1085 OG SER A 70 11.293 2.533 8.355 1.00 0.00 O ATOM 0 H SER A 70 10.427 1.666 6.395 1.00 0.00 H new ATOM 0 HA SER A 70 9.317 4.156 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.245 3.496 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.514 4.555 7.982 1.00 0.00 H new ATOM 0 HG SER A 70 12.113 2.494 8.890 1.00 0.00 H new ATOM 1091 N GLY A 71 10.145 5.850 5.431 1.00 0.00 N ATOM 1092 CA GLY A 71 10.188 6.715 4.266 1.00 0.00 C ATOM 1093 C GLY A 71 9.327 7.933 4.522 1.00 0.00 C ATOM 1094 O GLY A 71 8.956 8.190 5.667 1.00 0.00 O ATOM 0 H GLY A 71 9.952 6.334 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.215 7.017 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.830 6.180 3.387 1.00 0.00 H new ATOM 1098 N LYS A 72 9.030 8.723 3.495 1.00 0.00 N ATOM 1099 CA LYS A 72 8.262 9.955 3.666 1.00 0.00 C ATOM 1100 C LYS A 72 7.359 10.104 2.467 1.00 0.00 C ATOM 1101 O LYS A 72 7.790 9.845 1.346 1.00 0.00 O ATOM 1102 CB LYS A 72 9.236 11.114 3.954 1.00 0.00 C ATOM 1103 CG LYS A 72 9.218 12.400 3.107 1.00 0.00 C ATOM 1104 CD LYS A 72 10.316 12.401 2.037 1.00 0.00 C ATOM 1105 CE LYS A 72 10.429 13.781 1.381 1.00 0.00 C ATOM 1106 NZ LYS A 72 11.618 13.901 0.511 1.00 0.00 N ATOM 0 H LYS A 72 9.310 8.533 2.533 1.00 0.00 H new ATOM 0 HA LYS A 72 7.597 9.945 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.077 11.413 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.245 10.705 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.245 12.504 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.346 13.264 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.270 12.127 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.094 11.649 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.532 13.974 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.472 14.546 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.594 14.814 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.480 13.846 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.619 13.128 -0.185 1.00 0.00 H new ATOM 1120 N ILE A 73 6.089 10.394 2.703 1.00 0.00 N ATOM 1121 CA ILE A 73 5.085 10.449 1.655 1.00 0.00 C ATOM 1122 C ILE A 73 5.421 11.658 0.797 1.00 0.00 C ATOM 1123 O ILE A 73 5.895 12.667 1.320 1.00 0.00 O ATOM 1124 CB ILE A 73 3.672 10.527 2.263 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.434 9.511 3.403 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.595 10.346 1.177 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.934 8.092 3.118 1.00 0.00 C ATOM 0 H ILE A 73 5.725 10.599 3.633 1.00 0.00 H new ATOM 0 HA ILE A 73 5.091 9.549 1.040 1.00 0.00 H new ATOM 0 HB ILE A 73 3.595 11.523 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.923 9.878 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.366 9.468 3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.606 10.405 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.698 11.132 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.718 9.373 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.722 7.453 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.427 7.698 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.009 8.114 2.939 1.00 0.00 H new ATOM 1139 N VAL A 74 5.209 11.541 -0.511 1.00 0.00 N ATOM 1140 CA VAL A 74 5.507 12.613 -1.446 1.00 0.00 C ATOM 1141 C VAL A 74 4.460 12.675 -2.553 1.00 0.00 C ATOM 1142 O VAL A 74 4.529 13.581 -3.385 1.00 0.00 O ATOM 1143 CB VAL A 74 6.928 12.427 -2.041 1.00 0.00 C ATOM 1144 CG1 VAL A 74 8.036 12.631 -1.000 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.114 11.060 -2.725 1.00 0.00 C ATOM 0 H VAL A 74 4.827 10.702 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 74 5.479 13.559 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 74 7.017 13.206 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.009 12.489 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.973 13.641 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.915 11.908 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.126 10.987 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.951 10.264 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.397 10.960 -3.540 1.00 0.00 H new ATOM 1155 N GLU A 75 3.495 11.746 -2.589 1.00 0.00 N ATOM 1156 CA GLU A 75 2.308 11.888 -3.410 1.00 0.00 C ATOM 1157 C GLU A 75 1.180 11.001 -2.860 1.00 0.00 C ATOM 1158 O GLU A 75 1.431 10.057 -2.108 1.00 0.00 O ATOM 1159 CB GLU A 75 2.690 11.596 -4.869 1.00 0.00 C ATOM 1160 CG GLU A 75 2.135 12.693 -5.789 1.00 0.00 C ATOM 1161 CD GLU A 75 2.876 12.864 -7.123 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.543 11.924 -7.624 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.744 13.958 -7.729 1.00 0.00 O ATOM 0 H GLU A 75 3.525 10.882 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 75 1.916 12.905 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.774 11.544 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.296 10.625 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.088 12.474 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.161 13.642 -5.253 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.070 11.300 -3.215 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.286 10.681 -2.682 1.00 0.00 C ATOM 1172 C VAL A 76 -2.275 10.511 -3.851 1.00 0.00 C ATOM 1173 O VAL A 76 -2.216 11.275 -4.824 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.863 11.553 -1.532 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -0.935 11.644 -0.301 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.148 12.973 -2.032 1.00 0.00 C ATOM 0 H VAL A 76 -0.273 12.014 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.080 9.701 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.781 11.057 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.402 12.268 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.765 10.645 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.018 12.083 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.552 13.572 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.223 13.425 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.872 12.934 -2.846 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.169 9.523 -3.792 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.121 9.246 -4.866 1.00 0.00 C ATOM 1188 C ASN A 77 -5.464 9.873 -4.504 1.00 0.00 C ATOM 1189 O ASN A 77 -6.394 9.173 -4.107 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.224 7.732 -5.134 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.742 7.395 -6.531 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.794 8.227 -7.431 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.077 6.141 -6.764 1.00 0.00 N ATOM 0 H ASN A 77 -3.253 8.891 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.775 9.692 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.241 7.280 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.885 7.284 -4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.381 5.859 -7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.032 5.453 -6.012 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.570 11.198 -4.649 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.756 12.010 -4.323 1.00 0.00 C ATOM 1202 C GLU A 78 -8.022 11.568 -5.074 1.00 0.00 C ATOM 1203 O GLU A 78 -9.139 11.973 -4.753 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.449 13.482 -4.641 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.507 14.140 -3.620 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.245 15.139 -2.722 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -6.885 14.726 -1.729 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -6.194 16.356 -3.019 1.00 0.00 O ATOM 0 H GLU A 78 -4.801 11.762 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.965 11.872 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.001 13.547 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.384 14.042 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.045 13.369 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.701 14.652 -4.147 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.855 10.704 -6.071 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.913 9.962 -6.735 1.00 0.00 C ATOM 1217 C LYS A 79 -9.752 9.135 -5.769 1.00 0.00 C ATOM 1218 O LYS A 79 -10.946 8.992 -6.013 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.272 9.038 -7.785 1.00 0.00 C ATOM 1220 CG LYS A 79 -8.205 9.712 -9.154 1.00 0.00 C ATOM 1221 CD LYS A 79 -9.575 9.786 -9.848 1.00 0.00 C ATOM 1222 CE LYS A 79 -9.744 8.662 -10.875 1.00 0.00 C ATOM 1223 NZ LYS A 79 -8.949 8.915 -12.094 1.00 0.00 N ATOM 0 H LYS A 79 -6.933 10.495 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.588 10.681 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.268 8.762 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.848 8.115 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.806 10.720 -9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.509 9.165 -9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.366 9.721 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.682 10.752 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.439 7.714 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.797 8.566 -11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.238 8.252 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.109 9.891 -12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.939 8.781 -11.884 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.163 8.542 -4.728 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.816 7.491 -3.936 1.00 0.00 C ATOM 1239 C LEU A 80 -10.936 8.059 -3.048 1.00 0.00 C ATOM 1240 O LEU A 80 -11.769 7.304 -2.562 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.763 6.677 -3.154 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.869 5.696 -3.959 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.360 4.265 -3.768 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.837 5.901 -5.481 1.00 0.00 C ATOM 0 H LEU A 80 -8.222 8.774 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.312 6.797 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.110 7.381 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.283 6.104 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.872 5.893 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.727 3.584 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.317 4.003 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.388 4.183 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.180 5.158 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.844 5.790 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.464 6.900 -5.706 1.00 0.00 H new ATOM 1256 N ASP A 81 -11.019 9.386 -2.947 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.195 10.196 -2.617 1.00 0.00 C ATOM 1258 C ASP A 81 -13.456 9.688 -3.323 1.00 0.00 C ATOM 1259 O ASP A 81 -14.467 9.412 -2.679 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.857 11.618 -3.090 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.889 12.736 -2.918 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -14.025 12.560 -2.422 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -12.533 13.870 -3.318 1.00 0.00 O ATOM 0 H ASP A 81 -10.199 9.971 -3.107 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.409 10.152 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.950 11.928 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.613 11.560 -4.151 1.00 0.00 H new ATOM 1268 N THR A 82 -13.410 9.573 -4.653 1.00 0.00 N ATOM 1269 CA THR A 82 -14.561 9.280 -5.504 1.00 0.00 C ATOM 1270 C THR A 82 -14.382 7.970 -6.273 1.00 0.00 C ATOM 1271 O THR A 82 -15.298 7.534 -6.974 1.00 0.00 O ATOM 1272 CB THR A 82 -14.805 10.453 -6.462 1.00 0.00 C ATOM 1273 OG1 THR A 82 -13.687 10.646 -7.307 1.00 0.00 O ATOM 1274 CG2 THR A 82 -15.062 11.769 -5.744 1.00 0.00 C ATOM 0 H THR A 82 -12.544 9.685 -5.181 1.00 0.00 H new ATOM 0 HA THR A 82 -15.435 9.153 -4.865 1.00 0.00 H new ATOM 0 HB THR A 82 -15.695 10.183 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.860 11.397 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 82 -15.227 12.558 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.944 11.672 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 82 -14.199 12.022 -5.128 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.223 7.326 -6.149 1.00 0.00 N ATOM 1283 CA GLU A 83 -12.949 5.987 -6.642 1.00 0.00 C ATOM 1284 C GLU A 83 -12.274 5.130 -5.556 1.00 0.00 C ATOM 1285 O GLU A 83 -11.201 4.575 -5.777 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.126 6.125 -7.941 1.00 0.00 C ATOM 1287 CG GLU A 83 -12.986 6.239 -9.200 1.00 0.00 C ATOM 1288 CD GLU A 83 -13.673 4.932 -9.627 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -13.938 4.046 -8.787 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -13.904 4.781 -10.853 1.00 0.00 O ATOM 0 H GLU A 83 -12.419 7.745 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.869 5.453 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.488 7.006 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.467 5.262 -8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.750 6.998 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.360 6.590 -10.021 1.00 0.00 H new ATOM 1297 N PRO A 84 -12.885 4.970 -4.369 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.427 4.009 -3.377 1.00 0.00 C ATOM 1299 C PRO A 84 -12.730 2.589 -3.866 1.00 0.00 C ATOM 1300 O PRO A 84 -12.014 1.642 -3.537 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.200 4.347 -2.100 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.485 5.021 -2.582 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.183 5.495 -4.001 1.00 0.00 C ATOM 0 HA PRO A 84 -11.352 4.057 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.418 3.449 -1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.625 5.010 -1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.323 4.324 -2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.756 5.857 -1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.949 5.144 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.184 6.584 -4.050 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.775 2.432 -4.679 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.148 1.178 -5.306 1.00 0.00 C ATOM 1313 C GLU A 85 -13.096 0.738 -6.328 1.00 0.00 C ATOM 1314 O GLU A 85 -13.008 -0.455 -6.599 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.554 1.301 -5.912 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.604 1.443 -4.794 1.00 0.00 C ATOM 1317 CD GLU A 85 -18.024 1.722 -5.299 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -18.531 0.993 -6.184 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -18.665 2.670 -4.796 1.00 0.00 O ATOM 0 H GLU A 85 -14.399 3.201 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.182 0.391 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.598 2.165 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.775 0.423 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.614 0.528 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.302 2.251 -4.127 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.198 1.614 -6.805 1.00 0.00 N ATOM 1327 CA LEU A 86 -11.103 1.230 -7.666 1.00 0.00 C ATOM 1328 C LEU A 86 -10.154 0.249 -6.976 1.00 0.00 C ATOM 1329 O LEU A 86 -9.465 -0.514 -7.643 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.323 2.470 -8.136 1.00 0.00 C ATOM 1331 CG LEU A 86 -9.963 2.488 -9.629 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.401 1.137 -10.055 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -11.133 2.835 -10.545 1.00 0.00 C ATOM 0 H LEU A 86 -12.224 2.612 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.535 0.728 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.913 3.358 -7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.403 2.543 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.219 3.277 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.151 1.165 -11.115 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.504 0.917 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.146 0.361 -9.879 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.798 2.827 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.927 2.100 -10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.511 3.826 -10.293 1.00 0.00 H new ATOM 1345 N ILE A 87 -10.122 0.190 -5.645 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.331 -0.840 -4.981 1.00 0.00 C ATOM 1347 C ILE A 87 -9.892 -2.247 -5.302 1.00 0.00 C ATOM 1348 O ILE A 87 -9.180 -3.234 -5.160 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.146 -0.492 -3.487 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.543 0.937 -3.372 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.231 -1.512 -2.801 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -7.826 1.297 -2.060 1.00 0.00 C ATOM 0 H ILE A 87 -10.620 0.825 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.315 -0.869 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.115 -0.523 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.836 1.072 -4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.348 1.656 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.115 -1.247 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.672 -2.506 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.255 -1.509 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.455 2.320 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.525 1.210 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.989 0.616 -1.904 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.111 -2.373 -5.835 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.586 -3.591 -6.489 1.00 0.00 C ATOM 1366 C ASN A 88 -11.152 -3.618 -7.951 1.00 0.00 C ATOM 1367 O ASN A 88 -10.598 -4.610 -8.424 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.113 -3.641 -6.509 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.717 -3.933 -5.144 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.207 -5.027 -4.889 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.674 -2.991 -4.219 1.00 0.00 N ATOM 0 H ASN A 88 -11.802 -1.622 -5.823 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.169 -4.428 -5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.497 -2.688 -6.874 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.437 -4.406 -7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.049 -3.173 -3.288 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.265 -2.082 -4.436 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.503 -2.559 -8.689 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.404 -2.502 -10.145 1.00 0.00 C ATOM 1380 C LYS A 89 -9.962 -2.622 -10.627 1.00 0.00 C ATOM 1381 O LYS A 89 -9.738 -3.147 -11.717 1.00 0.00 O ATOM 1382 CB LYS A 89 -12.088 -1.227 -10.654 1.00 0.00 C ATOM 1383 CG LYS A 89 -13.437 -1.549 -11.289 1.00 0.00 C ATOM 1384 CD LYS A 89 -13.360 -2.200 -12.683 1.00 0.00 C ATOM 1385 CE LYS A 89 -14.139 -3.519 -12.792 1.00 0.00 C ATOM 1386 NZ LYS A 89 -15.518 -3.424 -12.274 1.00 0.00 N ATOM 0 H LYS A 89 -11.871 -1.701 -8.278 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.925 -3.362 -10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.228 -0.530 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.447 -0.732 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.986 -2.215 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.015 -0.628 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.745 -1.499 -13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.315 -2.384 -12.931 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.171 -3.830 -13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.605 -4.295 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.122 -4.112 -12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.521 -3.629 -11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.884 -2.464 -12.435 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.993 -2.138 -9.850 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.576 -2.341 -10.100 1.00 0.00 C ATOM 1402 C ASP A 90 -6.759 -2.046 -8.832 1.00 0.00 C ATOM 1403 O ASP A 90 -6.133 -0.984 -8.746 1.00 0.00 O ATOM 1404 CB ASP A 90 -7.101 -1.470 -11.282 1.00 0.00 C ATOM 1405 CG ASP A 90 -5.925 -2.105 -12.026 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -5.350 -3.121 -11.564 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -5.564 -1.571 -13.099 1.00 0.00 O ATOM 0 H ASP A 90 -9.180 -1.584 -9.014 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.418 -3.385 -10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.928 -1.317 -11.975 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.808 -0.487 -10.913 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.719 -2.951 -7.830 1.00 0.00 N ATOM 1413 CA PRO A 91 -6.026 -2.703 -6.561 1.00 0.00 C ATOM 1414 C PRO A 91 -4.537 -2.428 -6.734 1.00 0.00 C ATOM 1415 O PRO A 91 -3.884 -1.928 -5.817 1.00 0.00 O ATOM 1416 CB PRO A 91 -6.191 -3.976 -5.719 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.724 -5.038 -6.676 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.384 -4.242 -7.801 1.00 0.00 C ATOM 0 HA PRO A 91 -6.456 -1.817 -6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.240 -4.283 -5.283 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.882 -3.812 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.921 -5.670 -7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.440 -5.695 -6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.277 -4.756 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.452 -4.125 -7.620 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.985 -2.799 -7.887 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.573 -2.704 -8.169 1.00 0.00 C ATOM 1428 C GLU A 92 -2.307 -1.867 -9.425 1.00 0.00 C ATOM 1429 O GLU A 92 -1.183 -1.872 -9.930 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.923 -4.092 -8.183 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.536 -5.175 -7.278 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.669 -6.426 -7.305 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -1.635 -7.137 -8.339 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -1.065 -6.768 -6.262 1.00 0.00 O ATOM 0 H GLU A 92 -4.527 -3.181 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.086 -2.160 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.941 -4.461 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.876 -3.975 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.620 -4.803 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.545 -5.414 -7.615 1.00 0.00 H new ATOM 1441 N GLY A 93 -3.327 -1.160 -9.927 1.00 0.00 N ATOM 1442 CA GLY A 93 -3.222 -0.167 -10.981 1.00 0.00 C ATOM 1443 C GLY A 93 -3.736 1.149 -10.436 1.00 0.00 C ATOM 1444 O GLY A 93 -3.070 1.774 -9.612 1.00 0.00 O ATOM 0 H GLY A 93 -4.283 -1.276 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.187 -0.066 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.803 -0.472 -11.851 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.909 1.583 -10.893 1.00 0.00 N ATOM 1449 CA GLU A 94 -5.465 2.896 -10.569 1.00 0.00 C ATOM 1450 C GLU A 94 -5.910 3.004 -9.105 1.00 0.00 C ATOM 1451 O GLU A 94 -6.029 4.119 -8.591 1.00 0.00 O ATOM 1452 CB GLU A 94 -6.614 3.212 -11.531 1.00 0.00 C ATOM 1453 CG GLU A 94 -6.102 3.554 -12.927 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.951 5.058 -13.191 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -6.912 5.847 -13.029 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -4.824 5.470 -13.562 1.00 0.00 O ATOM 0 H GLU A 94 -5.507 1.027 -11.505 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.676 3.638 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.286 2.356 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.196 4.048 -11.142 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.136 3.072 -13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.785 3.134 -13.665 1.00 0.00 H new ATOM 1463 N GLY A 95 -6.108 1.876 -8.419 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.437 1.801 -6.999 1.00 0.00 C ATOM 1465 C GLY A 95 -5.222 1.855 -6.060 1.00 0.00 C ATOM 1466 O GLY A 95 -5.299 1.315 -4.956 1.00 0.00 O ATOM 0 H GLY A 95 -6.040 0.957 -8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.109 2.623 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.983 0.876 -6.814 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.101 2.482 -6.454 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.026 2.783 -5.499 1.00 0.00 C ATOM 1472 C TRP A 96 -3.518 3.784 -4.448 1.00 0.00 C ATOM 1473 O TRP A 96 -4.554 4.425 -4.628 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.743 3.281 -6.192 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.803 4.583 -6.940 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.356 4.721 -8.163 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.347 5.930 -6.560 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.297 6.032 -8.557 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.719 6.828 -7.603 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.707 6.514 -5.441 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.504 8.208 -7.538 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.501 7.913 -5.352 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.886 8.752 -6.407 1.00 0.00 C ATOM 0 H TRP A 96 -3.919 2.785 -7.411 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.760 1.852 -4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.966 3.368 -5.433 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.420 2.509 -6.891 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.782 3.917 -8.745 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.642 6.375 -9.454 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.368 5.879 -4.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.812 8.847 -8.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.046 8.335 -4.468 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.706 9.815 -6.347 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.765 3.932 -3.358 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.150 4.756 -2.215 1.00 0.00 C ATOM 1496 C LEU A 97 -2.242 5.986 -2.175 1.00 0.00 C ATOM 1497 O LEU A 97 -2.705 7.118 -2.288 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.047 3.957 -0.901 1.00 0.00 C ATOM 1499 CG LEU A 97 -3.783 2.601 -0.847 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -2.950 1.610 -0.023 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.162 2.676 -0.198 1.00 0.00 C ATOM 0 H LEU A 97 -1.859 3.477 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.189 5.069 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.992 3.778 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.428 4.582 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.912 2.286 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.464 0.650 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.974 1.479 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.820 1.997 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.618 1.686 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.063 3.032 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.792 3.364 -0.761 1.00 0.00 H new ATOM 1513 N PHE A 98 -0.928 5.784 -2.032 1.00 0.00 N ATOM 1514 CA PHE A 98 0.049 6.861 -1.897 1.00 0.00 C ATOM 1515 C PHE A 98 1.396 6.455 -2.502 1.00 0.00 C ATOM 1516 O PHE A 98 1.627 5.280 -2.806 1.00 0.00 O ATOM 1517 CB PHE A 98 0.175 7.257 -0.416 1.00 0.00 C ATOM 1518 CG PHE A 98 0.564 6.115 0.504 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.918 5.755 0.644 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.419 5.434 1.253 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.273 4.683 1.477 1.00 0.00 C ATOM 1522 CE2 PHE A 98 -0.048 4.383 2.111 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.291 3.977 2.187 1.00 0.00 C ATOM 0 H PHE A 98 -0.511 4.854 -2.007 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.293 7.733 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.917 8.050 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.776 7.671 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.682 6.303 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.457 5.720 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.311 4.399 1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.796 3.888 2.712 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.566 3.124 2.790 1.00 0.00 H new ATOM 1533 N LYS A 99 2.303 7.424 -2.651 1.00 0.00 N ATOM 1534 CA LYS A 99 3.691 7.225 -3.048 1.00 0.00 C ATOM 1535 C LYS A 99 4.586 7.829 -1.982 1.00 0.00 C ATOM 1536 O LYS A 99 4.274 8.883 -1.416 1.00 0.00 O ATOM 1537 CB LYS A 99 3.996 7.861 -4.411 1.00 0.00 C ATOM 1538 CG LYS A 99 3.207 7.210 -5.551 1.00 0.00 C ATOM 1539 CD LYS A 99 3.782 7.550 -6.930 1.00 0.00 C ATOM 1540 CE LYS A 99 2.962 6.843 -8.014 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.497 7.771 -9.060 1.00 0.00 N ATOM 0 H LYS A 99 2.077 8.406 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 99 3.876 6.155 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.762 8.925 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.063 7.777 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.207 6.128 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.168 7.537 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.761 8.628 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.825 7.239 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.567 6.059 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.102 6.356 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.947 7.246 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.898 8.505 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.317 8.217 -9.518 1.00 0.00 H new ATOM 1555 N MET A 100 5.696 7.160 -1.698 1.00 0.00 N ATOM 1556 CA MET A 100 6.574 7.484 -0.587 1.00 0.00 C ATOM 1557 C MET A 100 8.028 7.299 -0.993 1.00 0.00 C ATOM 1558 O MET A 100 8.332 6.348 -1.709 1.00 0.00 O ATOM 1559 CB MET A 100 6.207 6.617 0.623 1.00 0.00 C ATOM 1560 CG MET A 100 5.958 5.123 0.326 1.00 0.00 C ATOM 1561 SD MET A 100 6.108 3.991 1.746 1.00 0.00 S ATOM 1562 CE MET A 100 7.674 4.495 2.510 1.00 0.00 C ATOM 0 H MET A 100 6.015 6.361 -2.246 1.00 0.00 H new ATOM 0 HA MET A 100 6.445 8.530 -0.308 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.008 6.694 1.358 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.311 7.031 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.957 5.018 -0.093 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.661 4.804 -0.444 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.940 3.788 3.295 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.459 4.510 1.754 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.565 5.491 2.940 1.00 0.00 H new ATOM 1572 N GLU A 101 8.910 8.203 -0.558 1.00 0.00 N ATOM 1573 CA GLU A 101 10.338 8.145 -0.807 1.00 0.00 C ATOM 1574 C GLU A 101 10.919 7.075 0.104 1.00 0.00 C ATOM 1575 O GLU A 101 10.560 7.037 1.285 1.00 0.00 O ATOM 1576 CB GLU A 101 10.942 9.516 -0.483 1.00 0.00 C ATOM 1577 CG GLU A 101 12.437 9.626 -0.812 1.00 0.00 C ATOM 1578 CD GLU A 101 12.958 11.034 -0.519 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.534 11.980 -1.221 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.783 11.212 0.404 1.00 0.00 O ATOM 0 H GLU A 101 8.634 9.016 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 101 10.558 7.901 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.400 10.282 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.796 9.726 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.997 8.897 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.601 9.384 -1.862 1.00 0.00 H new ATOM 1587 N ILE A 102 11.810 6.236 -0.418 1.00 0.00 N ATOM 1588 CA ILE A 102 12.570 5.295 0.374 1.00 0.00 C ATOM 1589 C ILE A 102 13.828 6.002 0.879 1.00 0.00 C ATOM 1590 O ILE A 102 14.649 6.453 0.078 1.00 0.00 O ATOM 1591 CB ILE A 102 12.837 3.999 -0.420 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.516 4.171 -1.796 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.492 3.278 -0.613 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.941 2.852 -2.449 1.00 0.00 C ATOM 0 H ILE A 102 12.021 6.196 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 102 12.008 4.968 1.249 1.00 0.00 H new ATOM 0 HB ILE A 102 13.554 3.430 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.831 4.692 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.394 4.807 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.650 2.356 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.063 3.042 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.809 3.924 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.410 3.057 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.651 2.338 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.065 2.221 -2.599 1.00 0.00 H new ATOM 1606 N SER A 103 13.977 6.135 2.198 1.00 0.00 N ATOM 1607 CA SER A 103 15.245 6.548 2.789 1.00 0.00 C ATOM 1608 C SER A 103 16.183 5.352 2.956 1.00 0.00 C ATOM 1609 O SER A 103 17.376 5.561 3.173 1.00 0.00 O ATOM 1610 CB SER A 103 15.018 7.203 4.158 1.00 0.00 C ATOM 1611 OG SER A 103 16.135 8.012 4.509 1.00 0.00 O ATOM 0 H SER A 103 13.234 5.962 2.875 1.00 0.00 H new ATOM 0 HA SER A 103 15.702 7.271 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 103 14.114 7.811 4.133 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.864 6.435 4.916 1.00 0.00 H new ATOM 0 HG SER A 103 16.961 7.573 4.218 1.00 0.00 H new ATOM 1617 N ASP A 104 15.656 4.130 2.923 1.00 0.00 N ATOM 1618 CA ASP A 104 16.274 2.958 3.512 1.00 0.00 C ATOM 1619 C ASP A 104 15.974 1.799 2.573 1.00 0.00 C ATOM 1620 O ASP A 104 14.952 1.122 2.719 1.00 0.00 O ATOM 1621 CB ASP A 104 15.704 2.710 4.922 1.00 0.00 C ATOM 1622 CG ASP A 104 16.045 3.817 5.912 1.00 0.00 C ATOM 1623 OD1 ASP A 104 17.248 4.010 6.201 1.00 0.00 O ATOM 1624 OD2 ASP A 104 15.106 4.475 6.405 1.00 0.00 O ATOM 0 H ASP A 104 14.763 3.929 2.472 1.00 0.00 H new ATOM 0 HA ASP A 104 17.351 3.082 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.620 2.612 4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.088 1.763 5.300 1.00 0.00 H new ATOM 1629 N GLU A 105 16.818 1.604 1.554 1.00 0.00 N ATOM 1630 CA GLU A 105 16.679 0.541 0.577 1.00 0.00 C ATOM 1631 C GLU A 105 17.074 -0.831 1.185 1.00 0.00 C ATOM 1632 O GLU A 105 16.817 -1.892 0.603 1.00 0.00 O ATOM 1633 CB GLU A 105 17.483 0.972 -0.671 1.00 0.00 C ATOM 1634 CG GLU A 105 18.144 -0.176 -1.424 1.00 0.00 C ATOM 1635 CD GLU A 105 19.063 0.291 -2.547 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.592 0.671 -3.647 1.00 0.00 O ATOM 1637 OE2 GLU A 105 20.293 0.215 -2.331 1.00 0.00 O ATOM 0 H GLU A 105 17.631 2.198 1.390 1.00 0.00 H new ATOM 0 HA GLU A 105 15.644 0.389 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.816 1.501 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 105 18.253 1.680 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.718 -0.780 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.371 -0.821 -1.841 1.00 0.00 H new ATOM 1644 N GLY A 106 17.699 -0.830 2.363 1.00 0.00 N ATOM 1645 CA GLY A 106 18.073 -2.017 3.120 1.00 0.00 C ATOM 1646 C GLY A 106 16.819 -2.801 3.442 1.00 0.00 C ATOM 1647 O GLY A 106 16.654 -3.932 2.985 1.00 0.00 O ATOM 0 H GLY A 106 17.968 0.035 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.765 -2.631 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.588 -1.733 4.038 1.00 0.00 H new ATOM 1651 N GLU A 107 15.889 -2.137 4.123 1.00 0.00 N ATOM 1652 CA GLU A 107 14.673 -2.731 4.652 1.00 0.00 C ATOM 1653 C GLU A 107 13.682 -3.136 3.561 1.00 0.00 C ATOM 1654 O GLU A 107 12.657 -3.741 3.864 1.00 0.00 O ATOM 1655 CB GLU A 107 14.042 -1.782 5.682 1.00 0.00 C ATOM 1656 CG GLU A 107 15.005 -1.627 6.868 1.00 0.00 C ATOM 1657 CD GLU A 107 14.505 -0.753 8.013 1.00 0.00 C ATOM 1658 OE1 GLU A 107 13.291 -0.462 8.112 1.00 0.00 O ATOM 1659 OE2 GLU A 107 15.348 -0.405 8.866 1.00 0.00 O ATOM 0 H GLU A 107 15.967 -1.140 4.326 1.00 0.00 H new ATOM 0 HA GLU A 107 14.945 -3.662 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.843 -0.811 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.085 -2.177 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.229 -2.618 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.943 -1.211 6.500 1.00 0.00 H new ATOM 1666 N LEU A 108 13.988 -2.885 2.287 1.00 0.00 N ATOM 1667 CA LEU A 108 13.260 -3.535 1.213 1.00 0.00 C ATOM 1668 C LEU A 108 13.441 -5.049 1.297 1.00 0.00 C ATOM 1669 O LEU A 108 12.488 -5.782 1.052 1.00 0.00 O ATOM 1670 CB LEU A 108 13.743 -3.082 -0.160 1.00 0.00 C ATOM 1671 CG LEU A 108 13.713 -1.589 -0.505 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.843 -1.411 -2.021 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.521 -0.787 0.001 1.00 0.00 C ATOM 0 H LEU A 108 14.723 -2.246 1.984 1.00 0.00 H new ATOM 0 HA LEU A 108 12.212 -3.259 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.771 -3.426 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.146 -3.604 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 108 14.563 -1.174 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.822 -0.349 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.785 -1.842 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.015 -1.915 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.623 0.252 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.602 -1.202 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.484 -0.837 1.089 1.00 0.00 H new ATOM 1685 N GLU A 109 14.644 -5.508 1.649 1.00 0.00 N ATOM 1686 CA GLU A 109 14.995 -6.914 1.811 1.00 0.00 C ATOM 1687 C GLU A 109 14.627 -7.423 3.210 1.00 0.00 C ATOM 1688 O GLU A 109 14.730 -8.622 3.476 1.00 0.00 O ATOM 1689 CB GLU A 109 16.500 -7.107 1.552 1.00 0.00 C ATOM 1690 CG GLU A 109 16.894 -6.887 0.086 1.00 0.00 C ATOM 1691 CD GLU A 109 16.232 -7.885 -0.872 1.00 0.00 C ATOM 1692 OE1 GLU A 109 16.046 -9.071 -0.525 1.00 0.00 O ATOM 1693 OE2 GLU A 109 15.822 -7.495 -1.986 1.00 0.00 O ATOM 0 H GLU A 109 15.428 -4.883 1.835 1.00 0.00 H new ATOM 0 HA GLU A 109 14.425 -7.495 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.062 -6.416 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.787 -8.115 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.621 -5.874 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.977 -6.966 -0.009 1.00 0.00 H new ATOM 1700 N ASP A 110 14.161 -6.549 4.105 1.00 0.00 N ATOM 1701 CA ASP A 110 13.520 -6.948 5.362 1.00 0.00 C ATOM 1702 C ASP A 110 12.106 -7.483 5.088 1.00 0.00 C ATOM 1703 O ASP A 110 11.548 -8.195 5.918 1.00 0.00 O ATOM 1704 CB ASP A 110 13.496 -5.746 6.323 1.00 0.00 C ATOM 1705 CG ASP A 110 13.125 -6.043 7.776 1.00 0.00 C ATOM 1706 OD1 ASP A 110 13.323 -7.170 8.280 1.00 0.00 O ATOM 1707 OD2 ASP A 110 12.815 -5.065 8.495 1.00 0.00 O ATOM 0 H ASP A 110 14.218 -5.539 3.978 1.00 0.00 H new ATOM 0 HA ASP A 110 14.088 -7.751 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.481 -5.279 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.791 -5.012 5.934 1.00 0.00 H new ATOM 1712 N LEU A 111 11.522 -7.173 3.920 1.00 0.00 N ATOM 1713 CA LEU A 111 10.162 -7.559 3.530 1.00 0.00 C ATOM 1714 C LEU A 111 10.112 -8.945 2.865 1.00 0.00 C ATOM 1715 O LEU A 111 10.985 -9.783 3.099 1.00 0.00 O ATOM 1716 CB LEU A 111 9.551 -6.440 2.665 1.00 0.00 C ATOM 1717 CG LEU A 111 9.194 -5.156 3.426 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.519 -4.207 2.434 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.220 -5.405 4.587 1.00 0.00 C ATOM 0 H LEU A 111 12.000 -6.630 3.201 1.00 0.00 H new ATOM 0 HA LEU A 111 9.549 -7.668 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.254 -6.190 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.650 -6.823 2.185 1.00 0.00 H new ATOM 0 HG LEU A 111 10.111 -4.744 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.251 -3.281 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.205 -3.987 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.619 -4.676 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.003 -4.462 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.294 -5.831 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.670 -6.099 5.297 1.00 0.00 H new ATOM 1731 N LEU A 112 9.049 -9.221 2.100 1.00 0.00 N ATOM 1732 CA LEU A 112 8.725 -10.497 1.471 1.00 0.00 C ATOM 1733 C LEU A 112 8.892 -10.384 -0.039 1.00 0.00 C ATOM 1734 O LEU A 112 8.400 -9.424 -0.638 1.00 0.00 O ATOM 1735 CB LEU A 112 7.251 -10.834 1.750 1.00 0.00 C ATOM 1736 CG LEU A 112 6.963 -11.221 3.207 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.472 -11.038 3.488 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.363 -12.670 3.485 1.00 0.00 C ATOM 0 H LEU A 112 8.349 -8.508 1.893 1.00 0.00 H new ATOM 0 HA LEU A 112 9.386 -11.266 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.636 -9.974 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.948 -11.655 1.100 1.00 0.00 H new ATOM 0 HG LEU A 112 7.552 -10.577 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.260 -11.311 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.196 -9.996 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.895 -11.676 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.147 -12.914 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.799 -13.335 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.429 -12.796 3.297 1.00 0.00 H new ATOM 1750 N ASP A 113 9.516 -11.390 -0.656 1.00 0.00 N ATOM 1751 CA ASP A 113 9.429 -11.627 -2.101 1.00 0.00 C ATOM 1752 C ASP A 113 7.976 -11.946 -2.472 1.00 0.00 C ATOM 1753 O ASP A 113 7.143 -12.198 -1.608 1.00 0.00 O ATOM 1754 CB ASP A 113 10.285 -12.837 -2.520 1.00 0.00 C ATOM 1755 CG ASP A 113 11.780 -12.673 -2.286 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.389 -11.678 -2.738 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.368 -13.566 -1.637 1.00 0.00 O ATOM 0 H ASP A 113 10.100 -12.068 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 113 9.787 -10.731 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.940 -13.715 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.117 -13.034 -3.579 1.00 0.00 H new ATOM 1762 N GLU A 114 7.676 -12.043 -3.763 1.00 0.00 N ATOM 1763 CA GLU A 114 6.374 -12.414 -4.314 1.00 0.00 C ATOM 1764 C GLU A 114 6.017 -13.845 -3.902 1.00 0.00 C ATOM 1765 O GLU A 114 4.934 -14.087 -3.378 1.00 0.00 O ATOM 1766 CB GLU A 114 6.451 -12.235 -5.837 1.00 0.00 C ATOM 1767 CG GLU A 114 5.132 -12.380 -6.617 1.00 0.00 C ATOM 1768 CD GLU A 114 5.322 -12.022 -8.104 1.00 0.00 C ATOM 1769 OE1 GLU A 114 6.033 -11.034 -8.415 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.875 -12.777 -9.002 1.00 0.00 O ATOM 0 H GLU A 114 8.367 -11.856 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 114 5.578 -11.779 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.861 -11.247 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.161 -12.963 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.766 -13.403 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.374 -11.732 -6.178 1.00 0.00 H new ATOM 1777 N GLN A 115 6.944 -14.795 -4.061 1.00 0.00 N ATOM 1778 CA GLN A 115 6.774 -16.174 -3.653 1.00 0.00 C ATOM 1779 C GLN A 115 6.626 -16.300 -2.128 1.00 0.00 C ATOM 1780 O GLN A 115 5.815 -17.090 -1.638 1.00 0.00 O ATOM 1781 CB GLN A 115 8.013 -16.929 -4.138 1.00 0.00 C ATOM 1782 CG GLN A 115 7.769 -18.433 -4.128 1.00 0.00 C ATOM 1783 CD GLN A 115 9.082 -19.208 -4.139 1.00 0.00 C ATOM 1784 OE1 GLN A 115 9.897 -19.073 -3.232 1.00 0.00 O ATOM 1785 NE2 GLN A 115 9.379 -19.956 -5.182 1.00 0.00 N ATOM 0 H GLN A 115 7.852 -14.612 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 115 5.862 -16.587 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.270 -16.605 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.863 -16.690 -3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.192 -18.704 -3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.172 -18.712 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.703 -20.070 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 115 10.285 -20.422 -5.234 1.00 0.00 H new ATOM 1794 N ALA A 116 7.414 -15.531 -1.368 1.00 0.00 N ATOM 1795 CA ALA A 116 7.342 -15.521 0.088 1.00 0.00 C ATOM 1796 C ALA A 116 6.021 -14.895 0.550 1.00 0.00 C ATOM 1797 O ALA A 116 5.458 -15.323 1.560 1.00 0.00 O ATOM 1798 CB ALA A 116 8.542 -14.765 0.666 1.00 0.00 C ATOM 0 H ALA A 116 8.118 -14.900 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 116 7.375 -16.547 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.480 -14.762 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.465 -15.255 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.536 -13.738 0.300 1.00 0.00 H new ATOM 1804 N TYR A 117 5.518 -13.902 -0.188 1.00 0.00 N ATOM 1805 CA TYR A 117 4.196 -13.331 0.018 1.00 0.00 C ATOM 1806 C TYR A 117 3.122 -14.373 -0.276 1.00 0.00 C ATOM 1807 O TYR A 117 2.209 -14.527 0.525 1.00 0.00 O ATOM 1808 CB TYR A 117 4.034 -12.070 -0.837 1.00 0.00 C ATOM 1809 CG TYR A 117 2.600 -11.642 -1.065 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.888 -11.015 -0.027 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.967 -11.916 -2.295 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.538 -10.680 -0.208 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.610 -11.592 -2.477 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.113 -10.987 -1.423 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.430 -10.692 -1.589 1.00 0.00 O ATOM 0 H TYR A 117 6.031 -13.469 -0.956 1.00 0.00 H new ATOM 0 HA TYR A 117 4.081 -13.036 1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.572 -11.251 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.507 -12.240 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.380 -10.792 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.524 -12.375 -3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.005 -10.186 0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.123 -11.804 -3.417 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.717 -10.970 -2.484 1.00 0.00 H new ATOM 1825 N GLN A 118 3.240 -15.131 -1.370 1.00 0.00 N ATOM 1826 CA GLN A 118 2.354 -16.249 -1.685 1.00 0.00 C ATOM 1827 C GLN A 118 2.298 -17.232 -0.514 1.00 0.00 C ATOM 1828 O GLN A 118 1.221 -17.701 -0.160 1.00 0.00 O ATOM 1829 CB GLN A 118 2.777 -16.891 -3.021 1.00 0.00 C ATOM 1830 CG GLN A 118 2.943 -18.416 -3.030 1.00 0.00 C ATOM 1831 CD GLN A 118 3.016 -18.970 -4.449 1.00 0.00 C ATOM 1832 OE1 GLN A 118 3.626 -18.386 -5.341 1.00 0.00 O ATOM 1833 NE2 GLN A 118 2.360 -20.085 -4.702 1.00 0.00 N ATOM 0 H GLN A 118 3.966 -14.981 -2.071 1.00 0.00 H new ATOM 0 HA GLN A 118 1.333 -15.894 -1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.037 -16.625 -3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.722 -16.444 -3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.849 -18.686 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.107 -18.876 -2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.857 -20.562 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 118 2.356 -20.471 -5.646 1.00 0.00 H new ATOM 1842 N GLU A 119 3.446 -17.543 0.088 1.00 0.00 N ATOM 1843 CA GLU A 119 3.521 -18.377 1.270 1.00 0.00 C ATOM 1844 C GLU A 119 2.686 -17.789 2.412 1.00 0.00 C ATOM 1845 O GLU A 119 1.853 -18.483 2.995 1.00 0.00 O ATOM 1846 CB GLU A 119 4.987 -18.571 1.680 1.00 0.00 C ATOM 1847 CG GLU A 119 5.116 -19.897 2.419 1.00 0.00 C ATOM 1848 CD GLU A 119 6.520 -20.091 2.982 1.00 0.00 C ATOM 1849 OE1 GLU A 119 6.823 -19.545 4.067 1.00 0.00 O ATOM 1850 OE2 GLU A 119 7.313 -20.821 2.343 1.00 0.00 O ATOM 0 H GLU A 119 4.355 -17.216 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 119 3.100 -19.356 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.630 -18.565 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.313 -17.750 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.389 -19.934 3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.879 -20.717 1.741 1.00 0.00 H new