USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 7 ASN : amide:sc= -0.541 K(o=0.78,f=0.24) USER MOD Set 1.2: A 62 SER OG : rot 83:sc= 1.32 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.21 (180deg=1.96) USER MOD Single : A 10 THR OG1 : rot -149:sc= 0.774 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= 0.376 (180deg=0.0468) USER MOD Single : A 13 ASN : amide:sc= 0.793 K(o=0.79,f=-0.0027) USER MOD Single : A 18 SER OG : rot -107:sc= 1.2 USER MOD Single : A 19 SER OG : rot 180:sc= 0.379 USER MOD Single : A 48 TYR OH : rot 168:sc= 1.24 USER MOD Single : A 49 LYS NZ :NH3+ -133:sc= -0.124 (180deg=-0.831) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc=-0.00735 (180deg=-0.156) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0944) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.177 USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= 0.85 (180deg=0.583) USER MOD Single : A 58 ASN : amide:sc= 0.556 K(o=0.56,f=-11!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.1 USER MOD Single : A 64 ASN : amide:sc= 1.32 K(o=1.3,f=-0.025) USER MOD Single : A 67 SER OG : rot 76:sc= 1.23 USER MOD Single : A 69 TYR OH : rot -98:sc= 0.557 USER MOD Single : A 73 SER OG : rot 180:sc= -0.359 USER MOD Single : A 76 THR OG1 : rot 13:sc= 0.197 USER MOD Single : A 78 MET CE :methyl 148:sc= -0.963 (180deg=-2.17) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= 0.233 (180deg=-0.00311) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0.0052 (180deg=0.00349) USER MOD Single : A 86 CYS SG : rot 170:sc= -0.0198 USER MOD Single : A 88 THR OG1 : rot 32:sc= 0.968 USER MOD Single : A 95 LYS NZ :NH3+ -154:sc= -0.0922 (180deg=-1.07) USER MOD Single : A 97 THR OG1 : rot 87:sc= 1.11 USER MOD Single : A 100 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 101 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ -160:sc= 0.0509 (180deg=-0.00596) USER MOD Single : A 105 TYR OH : rot -73:sc= 1.2 USER MOD Single : A 107 ASN : amide:sc= 0.215 K(o=0.21,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.499 -2.755 -11.739 1.00 0.00 N ATOM 2 CA MET A 1 -0.878 -1.961 -12.924 1.00 0.00 C ATOM 3 C MET A 1 -2.157 -1.164 -12.648 1.00 0.00 C ATOM 4 O MET A 1 -2.164 0.047 -12.839 1.00 0.00 O ATOM 5 CB MET A 1 -0.951 -2.801 -14.215 1.00 0.00 C ATOM 6 CG MET A 1 -1.950 -3.966 -14.260 1.00 0.00 C ATOM 7 SD MET A 1 -1.580 -5.348 -13.157 1.00 0.00 S ATOM 8 CE MET A 1 -3.149 -6.241 -13.228 1.00 0.00 C ATOM 0 H1 MET A 1 0.422 -3.209 -11.905 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.433 -2.131 -10.910 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.219 -3.485 -11.566 1.00 0.00 H new ATOM 0 HA MET A 1 -0.080 -1.243 -13.110 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.186 -2.127 -15.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.043 -3.205 -14.407 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.940 -3.583 -14.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.998 -4.342 -15.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.091 -7.128 -12.598 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.952 -5.595 -12.873 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.352 -6.539 -14.257 1.00 0.00 H new ATOM 20 N GLU A 2 -3.222 -1.822 -12.175 1.00 0.00 N ATOM 21 CA GLU A 2 -4.407 -1.120 -11.696 1.00 0.00 C ATOM 22 C GLU A 2 -3.953 -0.406 -10.422 1.00 0.00 C ATOM 23 O GLU A 2 -4.116 0.799 -10.260 1.00 0.00 O ATOM 24 CB GLU A 2 -5.545 -2.112 -11.433 1.00 0.00 C ATOM 25 CG GLU A 2 -6.003 -2.861 -12.689 1.00 0.00 C ATOM 26 CD GLU A 2 -7.043 -3.922 -12.334 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.235 -3.554 -12.271 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.620 -5.080 -12.126 1.00 0.00 O ATOM 0 H GLU A 2 -3.282 -2.838 -12.116 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.801 -0.409 -12.422 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.220 -2.836 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.394 -1.575 -11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.425 -2.156 -13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.146 -3.331 -13.171 1.00 0.00 H new ATOM 35 N ALA A 3 -3.337 -1.188 -9.534 1.00 0.00 N ATOM 36 CA ALA A 3 -2.604 -0.682 -8.396 1.00 0.00 C ATOM 37 C ALA A 3 -1.296 -0.132 -8.967 1.00 0.00 C ATOM 38 O ALA A 3 -0.664 -0.822 -9.776 1.00 0.00 O ATOM 39 CB ALA A 3 -2.315 -1.827 -7.423 1.00 0.00 C ATOM 0 H ALA A 3 -3.340 -2.206 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.159 0.083 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.762 -1.445 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.255 -2.263 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.722 -2.591 -7.926 1.00 0.00 H new ATOM 45 N GLY A 4 -0.888 1.086 -8.602 1.00 0.00 N ATOM 46 CA GLY A 4 0.350 1.634 -9.138 1.00 0.00 C ATOM 47 C GLY A 4 1.575 0.983 -8.488 1.00 0.00 C ATOM 48 O GLY A 4 1.455 0.142 -7.597 1.00 0.00 O ATOM 0 H GLY A 4 -1.386 1.695 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.382 1.478 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.376 2.711 -8.971 1.00 0.00 H new ATOM 52 N ALA A 5 2.764 1.406 -8.910 1.00 0.00 N ATOM 53 CA ALA A 5 4.037 1.011 -8.328 1.00 0.00 C ATOM 54 C ALA A 5 4.686 2.311 -7.863 1.00 0.00 C ATOM 55 O ALA A 5 4.577 3.303 -8.585 1.00 0.00 O ATOM 56 CB ALA A 5 4.898 0.294 -9.369 1.00 0.00 C ATOM 0 H ALA A 5 2.868 2.053 -9.691 1.00 0.00 H new ATOM 0 HA ALA A 5 3.916 0.312 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.848 0.004 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.377 -0.596 -9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.084 0.962 -10.210 1.00 0.00 H new ATOM 62 N VAL A 6 5.296 2.341 -6.674 1.00 0.00 N ATOM 63 CA VAL A 6 5.918 3.553 -6.155 1.00 0.00 C ATOM 64 C VAL A 6 7.335 3.281 -5.677 1.00 0.00 C ATOM 65 O VAL A 6 7.728 2.138 -5.437 1.00 0.00 O ATOM 66 CB VAL A 6 5.097 4.169 -5.001 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.626 4.315 -5.361 1.00 0.00 C ATOM 68 CG2 VAL A 6 5.143 3.358 -3.707 1.00 0.00 C ATOM 0 H VAL A 6 5.370 1.534 -6.054 1.00 0.00 H new ATOM 0 HA VAL A 6 5.948 4.267 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 6 5.568 5.139 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.087 4.752 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.527 4.963 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.208 3.334 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.543 3.855 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.745 2.360 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.174 3.280 -3.363 1.00 0.00 H new ATOM 78 N ASN A 7 8.073 4.375 -5.507 1.00 0.00 N ATOM 79 CA ASN A 7 9.404 4.401 -4.938 1.00 0.00 C ATOM 80 C ASN A 7 9.538 5.705 -4.165 1.00 0.00 C ATOM 81 O ASN A 7 8.682 6.576 -4.298 1.00 0.00 O ATOM 82 CB ASN A 7 10.455 4.278 -6.047 1.00 0.00 C ATOM 83 CG ASN A 7 11.898 4.454 -5.589 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.608 5.326 -6.075 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.328 3.643 -4.629 1.00 0.00 N ATOM 0 H ASN A 7 7.740 5.301 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 7 9.565 3.560 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.355 3.299 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.240 5.021 -6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.279 3.735 -4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.707 2.928 -4.249 1.00 0.00 H new ATOM 92 N ASP A 8 10.615 5.835 -3.391 1.00 0.00 N ATOM 93 CA ASP A 8 10.913 6.958 -2.500 1.00 0.00 C ATOM 94 C ASP A 8 10.518 8.306 -3.108 1.00 0.00 C ATOM 95 O ASP A 8 9.926 9.146 -2.431 1.00 0.00 O ATOM 96 CB ASP A 8 12.417 6.981 -2.178 1.00 0.00 C ATOM 97 CG ASP A 8 12.938 5.757 -1.427 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.228 5.258 -0.528 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.080 5.355 -1.735 1.00 0.00 O ATOM 0 H ASP A 8 11.343 5.121 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 8 10.326 6.812 -1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.971 7.078 -3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.632 7.870 -1.586 1.00 0.00 H new ATOM 104 N ASP A 9 10.862 8.506 -4.381 1.00 0.00 N ATOM 105 CA ASP A 9 10.530 9.712 -5.123 1.00 0.00 C ATOM 106 C ASP A 9 9.016 9.834 -5.325 1.00 0.00 C ATOM 107 O ASP A 9 8.360 10.642 -4.674 1.00 0.00 O ATOM 108 CB ASP A 9 11.251 9.687 -6.476 1.00 0.00 C ATOM 109 CG ASP A 9 10.806 10.854 -7.351 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.164 11.996 -6.995 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.104 10.577 -8.347 1.00 0.00 O ATOM 0 H ASP A 9 11.386 7.823 -4.928 1.00 0.00 H new ATOM 0 HA ASP A 9 10.858 10.580 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.329 9.735 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.044 8.746 -6.985 1.00 0.00 H new ATOM 116 N THR A 10 8.463 9.020 -6.227 1.00 0.00 N ATOM 117 CA THR A 10 7.058 9.057 -6.623 1.00 0.00 C ATOM 118 C THR A 10 6.132 9.082 -5.407 1.00 0.00 C ATOM 119 O THR A 10 5.131 9.795 -5.416 1.00 0.00 O ATOM 120 CB THR A 10 6.740 7.852 -7.521 1.00 0.00 C ATOM 121 OG1 THR A 10 6.944 6.649 -6.807 1.00 0.00 O ATOM 122 CG2 THR A 10 7.616 7.833 -8.778 1.00 0.00 C ATOM 0 H THR A 10 8.996 8.299 -6.713 1.00 0.00 H new ATOM 0 HA THR A 10 6.885 9.977 -7.182 1.00 0.00 H new ATOM 0 HB THR A 10 5.697 7.941 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.226 5.944 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.360 6.966 -9.387 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.446 8.743 -9.354 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.666 7.777 -8.489 1.00 0.00 H new ATOM 130 N PHE A 11 6.496 8.318 -4.368 1.00 0.00 N ATOM 131 CA PHE A 11 5.804 8.171 -3.091 1.00 0.00 C ATOM 132 C PHE A 11 5.242 9.515 -2.626 1.00 0.00 C ATOM 133 O PHE A 11 4.081 9.654 -2.251 1.00 0.00 O ATOM 134 CB PHE A 11 6.813 7.646 -2.071 1.00 0.00 C ATOM 135 CG PHE A 11 6.253 7.332 -0.706 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.422 6.214 -0.522 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.675 8.083 0.402 1.00 0.00 C ATOM 138 CE1 PHE A 11 4.996 5.867 0.772 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.253 7.738 1.694 1.00 0.00 C ATOM 140 CZ PHE A 11 5.414 6.626 1.878 1.00 0.00 C ATOM 0 H PHE A 11 7.342 7.749 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 11 4.969 7.479 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.273 6.743 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.607 8.384 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.112 5.624 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.328 8.931 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.347 5.016 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.571 8.324 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.090 6.354 2.872 1.00 0.00 H new ATOM 150 N LYS A 12 6.094 10.522 -2.698 1.00 0.00 N ATOM 151 CA LYS A 12 5.765 11.901 -2.378 1.00 0.00 C ATOM 152 C LYS A 12 4.463 12.354 -3.058 1.00 0.00 C ATOM 153 O LYS A 12 3.469 12.670 -2.407 1.00 0.00 O ATOM 154 CB LYS A 12 6.901 12.803 -2.868 1.00 0.00 C ATOM 155 CG LYS A 12 8.269 12.559 -2.210 1.00 0.00 C ATOM 156 CD LYS A 12 8.346 12.937 -0.725 1.00 0.00 C ATOM 157 CE LYS A 12 8.299 11.705 0.188 1.00 0.00 C ATOM 158 NZ LYS A 12 9.466 10.819 0.002 1.00 0.00 N ATOM 0 H LYS A 12 7.064 10.400 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 12 5.632 11.972 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.007 12.672 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.616 13.841 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.524 11.505 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.024 13.126 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.267 13.490 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.519 13.603 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.255 12.029 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.386 11.144 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.585 10.220 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.315 10.217 -0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.321 11.395 -0.136 1.00 0.00 H new ATOM 172 N ASN A 13 4.491 12.395 -4.389 1.00 0.00 N ATOM 173 CA ASN A 13 3.422 12.904 -5.233 1.00 0.00 C ATOM 174 C ASN A 13 2.202 11.989 -5.220 1.00 0.00 C ATOM 175 O ASN A 13 1.065 12.447 -5.250 1.00 0.00 O ATOM 176 CB ASN A 13 3.951 13.020 -6.670 1.00 0.00 C ATOM 177 CG ASN A 13 5.126 13.981 -6.871 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.825 13.883 -7.873 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.384 14.910 -5.954 1.00 0.00 N ATOM 0 H ASN A 13 5.292 12.061 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 13 3.111 13.875 -4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.255 12.029 -7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.131 13.338 -7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.169 15.548 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.797 14.984 -5.123 1.00 0.00 H new ATOM 186 N VAL A 14 2.462 10.688 -5.206 1.00 0.00 N ATOM 187 CA VAL A 14 1.449 9.645 -5.342 1.00 0.00 C ATOM 188 C VAL A 14 0.737 9.311 -4.025 1.00 0.00 C ATOM 189 O VAL A 14 -0.488 9.210 -3.989 1.00 0.00 O ATOM 190 CB VAL A 14 2.103 8.411 -5.992 1.00 0.00 C ATOM 191 CG1 VAL A 14 2.911 7.586 -5.013 1.00 0.00 C ATOM 192 CG2 VAL A 14 1.132 7.402 -6.601 1.00 0.00 C ATOM 0 H VAL A 14 3.406 10.318 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 14 0.653 10.016 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 14 2.712 8.879 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.347 6.731 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.707 8.199 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.262 7.233 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.692 6.572 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.465 7.026 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.545 7.887 -7.381 1.00 0.00 H new ATOM 202 N VAL A 15 1.494 9.110 -2.952 1.00 0.00 N ATOM 203 CA VAL A 15 0.973 8.677 -1.667 1.00 0.00 C ATOM 204 C VAL A 15 0.730 9.870 -0.749 1.00 0.00 C ATOM 205 O VAL A 15 -0.384 10.043 -0.261 1.00 0.00 O ATOM 206 CB VAL A 15 1.953 7.689 -1.013 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.430 7.200 0.341 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.326 6.492 -1.880 1.00 0.00 C ATOM 0 H VAL A 15 2.505 9.247 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 15 0.018 8.177 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 15 2.868 8.265 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.146 6.503 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.299 8.051 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.473 6.697 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.020 5.851 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.427 5.927 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.798 6.841 -2.799 1.00 0.00 H new ATOM 218 N LEU A 16 1.764 10.670 -0.476 1.00 0.00 N ATOM 219 CA LEU A 16 1.627 11.747 0.499 1.00 0.00 C ATOM 220 C LEU A 16 0.691 12.835 -0.030 1.00 0.00 C ATOM 221 O LEU A 16 -0.338 13.124 0.580 1.00 0.00 O ATOM 222 CB LEU A 16 3.000 12.309 0.895 1.00 0.00 C ATOM 223 CG LEU A 16 4.008 11.240 1.358 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.256 11.944 1.899 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.454 10.316 2.451 1.00 0.00 C ATOM 0 H LEU A 16 2.685 10.593 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 16 1.177 11.341 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.420 12.845 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.866 13.037 1.695 1.00 0.00 H new ATOM 0 HG LEU A 16 4.235 10.616 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.979 11.199 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.699 12.555 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.979 12.580 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.214 9.587 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.180 10.908 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.573 9.795 2.075 1.00 0.00 H new ATOM 237 N GLU A 17 0.995 13.411 -1.192 1.00 0.00 N ATOM 238 CA GLU A 17 0.206 14.489 -1.773 1.00 0.00 C ATOM 239 C GLU A 17 -1.055 13.945 -2.466 1.00 0.00 C ATOM 240 O GLU A 17 -1.376 14.350 -3.582 1.00 0.00 O ATOM 241 CB GLU A 17 1.106 15.244 -2.760 1.00 0.00 C ATOM 242 CG GLU A 17 2.354 15.841 -2.090 1.00 0.00 C ATOM 243 CD GLU A 17 3.308 16.427 -3.126 1.00 0.00 C ATOM 244 OE1 GLU A 17 3.090 17.598 -3.502 1.00 0.00 O ATOM 245 OE2 GLU A 17 4.232 15.687 -3.534 1.00 0.00 O ATOM 0 H GLU A 17 1.800 13.140 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.141 15.165 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.415 14.565 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.533 16.044 -3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.056 16.618 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.866 15.069 -1.515 1.00 0.00 H new ATOM 252 N SER A 18 -1.774 13.030 -1.813 1.00 0.00 N ATOM 253 CA SER A 18 -2.983 12.416 -2.325 1.00 0.00 C ATOM 254 C SER A 18 -4.224 13.213 -1.913 1.00 0.00 C ATOM 255 O SER A 18 -4.172 14.062 -1.024 1.00 0.00 O ATOM 256 CB SER A 18 -3.048 10.990 -1.778 1.00 0.00 C ATOM 257 OG SER A 18 -2.932 11.001 -0.368 1.00 0.00 O ATOM 0 H SER A 18 -1.516 12.691 -0.886 1.00 0.00 H new ATOM 0 HA SER A 18 -2.962 12.403 -3.415 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.989 10.524 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.248 10.390 -2.211 1.00 0.00 H new ATOM 0 HG SER A 18 -2.050 10.660 -0.110 1.00 0.00 H new ATOM 263 N SER A 19 -5.347 12.931 -2.579 1.00 0.00 N ATOM 264 CA SER A 19 -6.658 13.491 -2.302 1.00 0.00 C ATOM 265 C SER A 19 -7.476 12.402 -1.605 1.00 0.00 C ATOM 266 O SER A 19 -7.779 12.481 -0.417 1.00 0.00 O ATOM 267 CB SER A 19 -7.280 13.902 -3.641 1.00 0.00 C ATOM 268 OG SER A 19 -7.080 12.862 -4.589 1.00 0.00 O ATOM 0 H SER A 19 -5.360 12.275 -3.360 1.00 0.00 H new ATOM 0 HA SER A 19 -6.618 14.369 -1.657 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.345 14.096 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.827 14.827 -3.997 1.00 0.00 H new ATOM 0 HG SER A 19 -7.478 13.120 -5.447 1.00 0.00 H new ATOM 274 N VAL A 20 -7.798 11.365 -2.377 1.00 0.00 N ATOM 275 CA VAL A 20 -8.499 10.171 -1.924 1.00 0.00 C ATOM 276 C VAL A 20 -7.484 9.266 -1.209 1.00 0.00 C ATOM 277 O VAL A 20 -6.279 9.479 -1.364 1.00 0.00 O ATOM 278 CB VAL A 20 -9.136 9.464 -3.138 1.00 0.00 C ATOM 279 CG1 VAL A 20 -10.224 10.341 -3.770 1.00 0.00 C ATOM 280 CG2 VAL A 20 -8.124 9.043 -4.214 1.00 0.00 C ATOM 0 H VAL A 20 -7.568 11.335 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.300 10.421 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.575 8.548 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.659 9.822 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.002 10.543 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.785 11.282 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.648 8.553 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.605 9.925 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.400 8.352 -3.782 1.00 0.00 H new ATOM 290 N PRO A 21 -7.929 8.282 -0.407 1.00 0.00 N ATOM 291 CA PRO A 21 -7.019 7.362 0.253 1.00 0.00 C ATOM 292 C PRO A 21 -6.107 6.637 -0.738 1.00 0.00 C ATOM 293 O PRO A 21 -6.359 6.633 -1.942 1.00 0.00 O ATOM 294 CB PRO A 21 -7.893 6.351 0.982 1.00 0.00 C ATOM 295 CG PRO A 21 -9.217 7.065 1.192 1.00 0.00 C ATOM 296 CD PRO A 21 -9.301 8.040 0.016 1.00 0.00 C ATOM 0 HA PRO A 21 -6.363 7.910 0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.022 5.443 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.448 6.055 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.053 6.365 1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.241 7.589 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.891 7.619 -0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.787 8.969 0.314 1.00 0.00 H new ATOM 304 N VAL A 22 -5.082 5.969 -0.214 1.00 0.00 N ATOM 305 CA VAL A 22 -4.061 5.261 -0.967 1.00 0.00 C ATOM 306 C VAL A 22 -3.617 4.021 -0.175 1.00 0.00 C ATOM 307 O VAL A 22 -3.122 4.166 0.942 1.00 0.00 O ATOM 308 CB VAL A 22 -2.877 6.218 -1.210 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.833 5.540 -2.093 1.00 0.00 C ATOM 310 CG2 VAL A 22 -3.288 7.536 -1.876 1.00 0.00 C ATOM 0 H VAL A 22 -4.938 5.906 0.794 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.450 4.930 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.472 6.454 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.000 6.222 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.470 4.638 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.283 5.275 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.407 8.162 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.745 7.328 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.005 8.057 -1.241 1.00 0.00 H new ATOM 320 N LEU A 23 -3.766 2.809 -0.726 1.00 0.00 N ATOM 321 CA LEU A 23 -3.356 1.567 -0.077 1.00 0.00 C ATOM 322 C LEU A 23 -1.986 1.189 -0.632 1.00 0.00 C ATOM 323 O LEU A 23 -1.908 0.698 -1.753 1.00 0.00 O ATOM 324 CB LEU A 23 -4.414 0.495 -0.372 1.00 0.00 C ATOM 325 CG LEU A 23 -4.224 -0.841 0.363 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.555 -1.597 0.343 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.159 -1.742 -0.283 1.00 0.00 C ATOM 0 H LEU A 23 -4.181 2.667 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.278 1.670 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.394 0.896 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.421 0.302 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.891 -0.608 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.440 -2.549 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.319 -1.002 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.855 -1.779 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.074 -2.669 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.449 -1.969 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.198 -1.227 -0.283 1.00 0.00 H new ATOM 339 N VAL A 24 -0.914 1.424 0.125 1.00 0.00 N ATOM 340 CA VAL A 24 0.452 1.159 -0.314 1.00 0.00 C ATOM 341 C VAL A 24 0.922 -0.184 0.240 1.00 0.00 C ATOM 342 O VAL A 24 1.165 -0.284 1.442 1.00 0.00 O ATOM 343 CB VAL A 24 1.385 2.280 0.176 1.00 0.00 C ATOM 344 CG1 VAL A 24 2.806 2.083 -0.371 1.00 0.00 C ATOM 345 CG2 VAL A 24 0.883 3.663 -0.243 1.00 0.00 C ATOM 0 H VAL A 24 -0.972 1.807 1.068 1.00 0.00 H new ATOM 0 HA VAL A 24 0.476 1.125 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 24 1.395 2.226 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.449 2.887 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.198 1.125 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.782 2.097 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.570 4.426 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.828 3.716 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.107 3.834 0.179 1.00 0.00 H new ATOM 355 N ASP A 25 1.082 -1.207 -0.605 1.00 0.00 N ATOM 356 CA ASP A 25 1.615 -2.485 -0.154 1.00 0.00 C ATOM 357 C ASP A 25 3.137 -2.430 -0.250 1.00 0.00 C ATOM 358 O ASP A 25 3.676 -2.258 -1.342 1.00 0.00 O ATOM 359 CB ASP A 25 1.067 -3.651 -0.981 1.00 0.00 C ATOM 360 CG ASP A 25 1.721 -4.973 -0.564 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.908 -5.162 0.659 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.026 -5.767 -1.479 1.00 0.00 O ATOM 0 H ASP A 25 0.850 -1.171 -1.598 1.00 0.00 H new ATOM 0 HA ASP A 25 1.306 -2.657 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.013 -3.718 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.250 -3.468 -2.040 1.00 0.00 H new ATOM 367 N PHE A 26 3.844 -2.555 0.870 1.00 0.00 N ATOM 368 CA PHE A 26 5.297 -2.596 0.859 1.00 0.00 C ATOM 369 C PHE A 26 5.644 -4.020 0.447 1.00 0.00 C ATOM 370 O PHE A 26 5.339 -4.950 1.193 1.00 0.00 O ATOM 371 CB PHE A 26 5.872 -2.263 2.239 1.00 0.00 C ATOM 372 CG PHE A 26 5.873 -0.789 2.615 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.707 -0.005 2.511 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.064 -0.194 3.071 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.748 1.364 2.818 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.085 1.158 3.453 1.00 0.00 C ATOM 377 CZ PHE A 26 5.924 1.937 3.329 1.00 0.00 C ATOM 0 H PHE A 26 3.429 -2.630 1.799 1.00 0.00 H new ATOM 0 HA PHE A 26 5.721 -1.859 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.304 -2.810 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.897 -2.631 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.779 -0.459 2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.969 -0.781 3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.873 1.978 2.661 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.992 1.597 3.841 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.935 2.975 3.626 1.00 0.00 H new ATOM 387 N TRP A 27 6.228 -4.190 -0.741 1.00 0.00 N ATOM 388 CA TRP A 27 6.532 -5.495 -1.304 1.00 0.00 C ATOM 389 C TRP A 27 7.999 -5.592 -1.695 1.00 0.00 C ATOM 390 O TRP A 27 8.795 -4.685 -1.458 1.00 0.00 O ATOM 391 CB TRP A 27 5.654 -5.744 -2.537 1.00 0.00 C ATOM 392 CG TRP A 27 6.032 -4.971 -3.758 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.829 -3.652 -3.941 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.770 -5.428 -4.928 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.438 -3.239 -5.108 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.048 -4.298 -5.749 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.253 -6.680 -5.370 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.800 -4.403 -6.927 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.995 -6.795 -6.559 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.276 -5.658 -7.334 1.00 0.00 C ATOM 0 H TRP A 27 6.504 -3.413 -1.341 1.00 0.00 H new ATOM 0 HA TRP A 27 6.326 -6.251 -0.546 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.686 -6.807 -2.776 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.622 -5.505 -2.281 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.272 -3.012 -3.273 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.437 -2.279 -5.451 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.049 -7.564 -4.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.012 -3.524 -7.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.351 -7.763 -6.878 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.857 -5.750 -8.240 1.00 0.00 H new ATOM 411 N ALA A 28 8.356 -6.698 -2.339 1.00 0.00 N ATOM 412 CA ALA A 28 9.669 -6.953 -2.905 1.00 0.00 C ATOM 413 C ALA A 28 9.551 -8.256 -3.698 1.00 0.00 C ATOM 414 O ALA A 28 8.665 -9.056 -3.396 1.00 0.00 O ATOM 415 CB ALA A 28 10.709 -7.105 -1.789 1.00 0.00 C ATOM 0 H ALA A 28 7.708 -7.472 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 28 9.991 -6.129 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.688 -7.296 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.747 -6.189 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.432 -7.939 -1.144 1.00 0.00 H new ATOM 421 N PRO A 29 10.409 -8.523 -4.690 1.00 0.00 N ATOM 422 CA PRO A 29 10.348 -9.755 -5.460 1.00 0.00 C ATOM 423 C PRO A 29 10.566 -10.957 -4.541 1.00 0.00 C ATOM 424 O PRO A 29 9.936 -12.000 -4.701 1.00 0.00 O ATOM 425 CB PRO A 29 11.431 -9.632 -6.530 1.00 0.00 C ATOM 426 CG PRO A 29 12.411 -8.610 -5.952 1.00 0.00 C ATOM 427 CD PRO A 29 11.503 -7.691 -5.136 1.00 0.00 C ATOM 0 HA PRO A 29 9.376 -9.909 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.917 -10.589 -6.717 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.017 -9.294 -7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.170 -9.085 -5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.937 -8.066 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.039 -7.261 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.142 -6.859 -5.741 1.00 0.00 H new ATOM 435 N TRP A 30 11.444 -10.785 -3.551 1.00 0.00 N ATOM 436 CA TRP A 30 11.736 -11.793 -2.550 1.00 0.00 C ATOM 437 C TRP A 30 10.627 -11.883 -1.494 1.00 0.00 C ATOM 438 O TRP A 30 10.710 -12.730 -0.612 1.00 0.00 O ATOM 439 CB TRP A 30 13.092 -11.464 -1.910 1.00 0.00 C ATOM 440 CG TRP A 30 13.295 -10.066 -1.393 1.00 0.00 C ATOM 441 CD1 TRP A 30 14.048 -9.116 -1.993 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.789 -9.448 -0.168 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.093 -7.981 -1.212 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.305 -8.118 -0.085 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.936 -9.865 0.877 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.973 -7.248 0.967 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.626 -9.014 1.951 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.093 -7.689 1.970 1.00 0.00 C ATOM 0 H TRP A 30 11.977 -9.924 -3.427 1.00 0.00 H new ATOM 0 HA TRP A 30 11.783 -12.772 -3.028 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.250 -12.155 -1.082 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.870 -11.666 -2.647 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.543 -9.230 -2.946 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.637 -7.148 -1.437 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.513 -10.858 0.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.389 -6.252 1.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.024 -9.381 2.769 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.777 -7.013 2.751 1.00 0.00 H new ATOM 459 N CYS A 31 9.595 -11.031 -1.541 1.00 0.00 N ATOM 460 CA CYS A 31 8.552 -11.081 -0.515 1.00 0.00 C ATOM 461 C CYS A 31 7.793 -12.413 -0.544 1.00 0.00 C ATOM 462 O CYS A 31 7.767 -13.131 0.452 1.00 0.00 O ATOM 463 CB CYS A 31 7.565 -9.933 -0.699 1.00 0.00 C ATOM 464 SG CYS A 31 6.108 -10.053 0.360 1.00 0.00 S ATOM 0 H CYS A 31 9.463 -10.318 -2.258 1.00 0.00 H new ATOM 0 HA CYS A 31 9.046 -10.987 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.075 -8.991 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.245 -9.904 -1.741 1.00 0.00 H new ATOM 469 N GLY A 32 7.147 -12.724 -1.672 1.00 0.00 N ATOM 470 CA GLY A 32 6.338 -13.926 -1.850 1.00 0.00 C ATOM 471 C GLY A 32 4.848 -13.593 -1.771 1.00 0.00 C ATOM 472 O GLY A 32 4.252 -13.354 -2.820 1.00 0.00 O ATOM 0 H GLY A 32 7.175 -12.132 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.563 -14.382 -2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.593 -14.658 -1.084 1.00 0.00 H new ATOM 476 N PRO A 33 4.229 -13.552 -0.573 1.00 0.00 N ATOM 477 CA PRO A 33 2.813 -13.245 -0.411 1.00 0.00 C ATOM 478 C PRO A 33 2.390 -12.048 -1.261 1.00 0.00 C ATOM 479 O PRO A 33 1.398 -12.098 -1.977 1.00 0.00 O ATOM 480 CB PRO A 33 2.607 -12.993 1.082 1.00 0.00 C ATOM 481 CG PRO A 33 3.650 -13.916 1.706 1.00 0.00 C ATOM 482 CD PRO A 33 4.824 -13.785 0.736 1.00 0.00 C ATOM 0 HA PRO A 33 2.188 -14.069 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.775 -11.949 1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.596 -13.244 1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.919 -13.602 2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.293 -14.944 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.478 -12.961 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.433 -14.689 0.734 1.00 0.00 H new ATOM 490 N CYS A 34 3.198 -10.992 -1.212 1.00 0.00 N ATOM 491 CA CYS A 34 3.019 -9.758 -1.964 1.00 0.00 C ATOM 492 C CYS A 34 2.683 -10.042 -3.436 1.00 0.00 C ATOM 493 O CYS A 34 1.764 -9.458 -4.010 1.00 0.00 O ATOM 494 CB CYS A 34 4.293 -8.926 -1.898 1.00 0.00 C ATOM 495 SG CYS A 34 4.913 -8.465 -0.258 1.00 0.00 S ATOM 0 H CYS A 34 4.030 -10.975 -0.622 1.00 0.00 H new ATOM 0 HA CYS A 34 2.188 -9.213 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.081 -9.477 -2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.125 -8.009 -2.463 1.00 0.00 H new ATOM 500 N ARG A 35 3.436 -10.956 -4.055 1.00 0.00 N ATOM 501 CA ARG A 35 3.291 -11.302 -5.458 1.00 0.00 C ATOM 502 C ARG A 35 1.966 -12.011 -5.706 1.00 0.00 C ATOM 503 O ARG A 35 1.287 -11.707 -6.680 1.00 0.00 O ATOM 504 CB ARG A 35 4.472 -12.178 -5.885 1.00 0.00 C ATOM 505 CG ARG A 35 5.760 -11.345 -5.912 1.00 0.00 C ATOM 506 CD ARG A 35 7.014 -12.216 -5.980 1.00 0.00 C ATOM 507 NE ARG A 35 7.041 -13.071 -7.171 1.00 0.00 N ATOM 508 CZ ARG A 35 8.099 -13.814 -7.526 1.00 0.00 C ATOM 509 NH1 ARG A 35 9.222 -13.788 -6.796 1.00 0.00 N ATOM 510 NH2 ARG A 35 8.026 -14.582 -8.617 1.00 0.00 N ATOM 0 H ARG A 35 4.172 -11.480 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 35 3.290 -10.391 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.584 -13.014 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.283 -12.602 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.739 -10.675 -6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.803 -10.719 -5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.897 -11.577 -5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.068 -12.840 -5.088 1.00 0.00 H new ATOM 0 HE ARG A 35 6.210 -13.102 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.276 -13.200 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.023 -14.356 -7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.170 -14.600 -9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.826 -15.151 -8.895 1.00 0.00 H new ATOM 524 N ILE A 36 1.593 -12.959 -4.844 1.00 0.00 N ATOM 525 CA ILE A 36 0.315 -13.651 -5.000 1.00 0.00 C ATOM 526 C ILE A 36 -0.852 -12.763 -4.525 1.00 0.00 C ATOM 527 O ILE A 36 -2.002 -13.058 -4.838 1.00 0.00 O ATOM 528 CB ILE A 36 0.373 -15.072 -4.394 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.833 -15.182 -2.930 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.350 -15.904 -5.240 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.279 -14.805 -1.946 1.00 0.00 C ATOM 0 H ILE A 36 2.148 -13.261 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 36 0.112 -13.822 -6.057 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.658 -15.424 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.163 -16.201 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.693 -14.531 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.412 -16.914 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.995 -15.946 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.337 -15.442 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.092 -14.898 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.591 -13.777 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.130 -15.472 -2.085 1.00 0.00 H new ATOM 543 N ILE A 37 -0.572 -11.661 -3.815 1.00 0.00 N ATOM 544 CA ILE A 37 -1.547 -10.643 -3.424 1.00 0.00 C ATOM 545 C ILE A 37 -1.783 -9.707 -4.623 1.00 0.00 C ATOM 546 O ILE A 37 -2.917 -9.345 -4.912 1.00 0.00 O ATOM 547 CB ILE A 37 -1.045 -9.907 -2.158 1.00 0.00 C ATOM 548 CG1 ILE A 37 -1.395 -10.749 -0.917 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.649 -8.502 -2.023 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.664 -10.298 0.353 1.00 0.00 C ATOM 0 H ILE A 37 0.371 -11.450 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.507 -11.087 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 37 0.035 -9.785 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.470 -10.699 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.152 -11.793 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.266 -8.027 -1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.376 -7.903 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.735 -8.577 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.958 -10.935 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.412 -10.374 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.926 -9.264 0.576 1.00 0.00 H new ATOM 562 N ALA A 38 -0.734 -9.380 -5.383 1.00 0.00 N ATOM 563 CA ALA A 38 -0.733 -8.491 -6.536 1.00 0.00 C ATOM 564 C ALA A 38 -1.979 -8.598 -7.432 1.00 0.00 C ATOM 565 O ALA A 38 -2.546 -7.562 -7.758 1.00 0.00 O ATOM 566 CB ALA A 38 0.519 -8.746 -7.384 1.00 0.00 C ATOM 0 H ALA A 38 0.195 -9.756 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.740 -7.481 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.517 -8.079 -8.246 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.409 -8.560 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.522 -9.781 -7.726 1.00 0.00 H new ATOM 572 N PRO A 39 -2.460 -9.784 -7.834 1.00 0.00 N ATOM 573 CA PRO A 39 -3.624 -9.886 -8.703 1.00 0.00 C ATOM 574 C PRO A 39 -4.856 -9.312 -7.995 1.00 0.00 C ATOM 575 O PRO A 39 -5.682 -8.618 -8.585 1.00 0.00 O ATOM 576 CB PRO A 39 -3.793 -11.386 -8.999 1.00 0.00 C ATOM 577 CG PRO A 39 -2.493 -12.032 -8.507 1.00 0.00 C ATOM 578 CD PRO A 39 -2.092 -11.103 -7.368 1.00 0.00 C ATOM 0 HA PRO A 39 -3.502 -9.320 -9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.659 -11.796 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.945 -11.564 -10.064 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.649 -13.055 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.735 -12.071 -9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.613 -11.358 -6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.024 -11.167 -7.160 1.00 0.00 H new ATOM 586 N VAL A 40 -4.944 -9.610 -6.700 1.00 0.00 N ATOM 587 CA VAL A 40 -6.012 -9.244 -5.804 1.00 0.00 C ATOM 588 C VAL A 40 -5.896 -7.751 -5.449 1.00 0.00 C ATOM 589 O VAL A 40 -6.878 -7.029 -5.563 1.00 0.00 O ATOM 590 CB VAL A 40 -6.004 -10.263 -4.635 1.00 0.00 C ATOM 591 CG1 VAL A 40 -5.578 -9.730 -3.270 1.00 0.00 C ATOM 592 CG2 VAL A 40 -7.367 -10.952 -4.504 1.00 0.00 C ATOM 0 H VAL A 40 -4.218 -10.149 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.007 -9.316 -6.243 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.224 -10.969 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.614 -10.536 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.562 -9.341 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.254 -8.932 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.338 -11.662 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.136 -10.204 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.598 -11.481 -5.429 1.00 0.00 H new ATOM 602 N VAL A 41 -4.716 -7.242 -5.078 1.00 0.00 N ATOM 603 CA VAL A 41 -4.518 -5.813 -4.812 1.00 0.00 C ATOM 604 C VAL A 41 -4.819 -5.007 -6.083 1.00 0.00 C ATOM 605 O VAL A 41 -5.423 -3.937 -6.000 1.00 0.00 O ATOM 606 CB VAL A 41 -3.114 -5.549 -4.221 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.007 -5.323 -5.251 1.00 0.00 C ATOM 608 CG2 VAL A 41 -3.073 -4.371 -3.233 1.00 0.00 C ATOM 0 H VAL A 41 -3.875 -7.806 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.220 -5.475 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.916 -6.485 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.062 -5.147 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.916 -6.204 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.253 -4.457 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.057 -4.245 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.389 -3.459 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.744 -4.573 -2.398 1.00 0.00 H new ATOM 618 N ASP A 42 -4.437 -5.526 -7.254 1.00 0.00 N ATOM 619 CA ASP A 42 -4.731 -4.879 -8.528 1.00 0.00 C ATOM 620 C ASP A 42 -6.232 -4.885 -8.806 1.00 0.00 C ATOM 621 O ASP A 42 -6.800 -3.826 -9.063 1.00 0.00 O ATOM 622 CB ASP A 42 -3.982 -5.549 -9.686 1.00 0.00 C ATOM 623 CG ASP A 42 -2.616 -4.914 -9.917 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.612 -3.762 -10.409 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.588 -5.564 -9.642 1.00 0.00 O ATOM 0 H ASP A 42 -3.919 -6.400 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.389 -3.847 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.858 -6.611 -9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.577 -5.473 -10.596 1.00 0.00 H new ATOM 630 N GLU A 43 -6.905 -6.040 -8.780 1.00 0.00 N ATOM 631 CA GLU A 43 -8.334 -6.025 -9.068 1.00 0.00 C ATOM 632 C GLU A 43 -9.044 -5.117 -8.061 1.00 0.00 C ATOM 633 O GLU A 43 -9.902 -4.321 -8.438 1.00 0.00 O ATOM 634 CB GLU A 43 -8.911 -7.444 -9.099 1.00 0.00 C ATOM 635 CG GLU A 43 -9.409 -7.958 -7.744 1.00 0.00 C ATOM 636 CD GLU A 43 -9.839 -9.409 -7.829 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.832 -9.665 -8.543 1.00 0.00 O ATOM 638 OE2 GLU A 43 -9.169 -10.236 -7.174 1.00 0.00 O ATOM 0 H GLU A 43 -6.503 -6.954 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.501 -5.616 -10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.737 -7.471 -9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.147 -8.125 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.619 -7.854 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.247 -7.348 -7.407 1.00 0.00 H new ATOM 645 N ILE A 44 -8.650 -5.206 -6.785 1.00 0.00 N ATOM 646 CA ILE A 44 -9.183 -4.363 -5.725 1.00 0.00 C ATOM 647 C ILE A 44 -8.988 -2.914 -6.137 1.00 0.00 C ATOM 648 O ILE A 44 -9.931 -2.134 -6.032 1.00 0.00 O ATOM 649 CB ILE A 44 -8.512 -4.706 -4.385 1.00 0.00 C ATOM 650 CG1 ILE A 44 -9.092 -6.032 -3.856 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.658 -3.600 -3.331 1.00 0.00 C ATOM 652 CD1 ILE A 44 -10.450 -5.925 -3.155 1.00 0.00 C ATOM 0 H ILE A 44 -7.947 -5.872 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.249 -4.537 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.443 -4.804 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.188 -6.725 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.377 -6.469 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.162 -3.907 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.201 -2.682 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.715 -3.424 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.766 -6.913 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.364 -5.262 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.187 -5.523 -3.850 1.00 0.00 H new ATOM 664 N ALA A 45 -7.796 -2.545 -6.621 1.00 0.00 N ATOM 665 CA ALA A 45 -7.562 -1.206 -7.139 1.00 0.00 C ATOM 666 C ALA A 45 -8.650 -0.877 -8.155 1.00 0.00 C ATOM 667 O ALA A 45 -9.299 0.154 -8.037 1.00 0.00 O ATOM 668 CB ALA A 45 -6.188 -1.107 -7.802 1.00 0.00 C ATOM 0 H ALA A 45 -6.983 -3.160 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.589 -0.495 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.039 -0.096 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.414 -1.339 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.131 -1.816 -8.628 1.00 0.00 H new ATOM 674 N GLY A 46 -8.866 -1.772 -9.124 1.00 0.00 N ATOM 675 CA GLY A 46 -9.910 -1.626 -10.125 1.00 0.00 C ATOM 676 C GLY A 46 -11.252 -1.266 -9.484 1.00 0.00 C ATOM 677 O GLY A 46 -11.861 -0.265 -9.859 1.00 0.00 O ATOM 0 H GLY A 46 -8.313 -2.622 -9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.627 -0.852 -10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.011 -2.555 -10.686 1.00 0.00 H new ATOM 681 N GLU A 47 -11.705 -2.070 -8.514 1.00 0.00 N ATOM 682 CA GLU A 47 -12.977 -1.845 -7.841 1.00 0.00 C ATOM 683 C GLU A 47 -13.028 -0.506 -7.091 1.00 0.00 C ATOM 684 O GLU A 47 -13.946 0.292 -7.258 1.00 0.00 O ATOM 685 CB GLU A 47 -13.257 -2.991 -6.855 1.00 0.00 C ATOM 686 CG GLU A 47 -13.025 -4.417 -7.383 1.00 0.00 C ATOM 687 CD GLU A 47 -13.584 -4.690 -8.776 1.00 0.00 C ATOM 688 OE1 GLU A 47 -14.704 -4.198 -9.038 1.00 0.00 O ATOM 689 OE2 GLU A 47 -12.887 -5.388 -9.544 1.00 0.00 O ATOM 0 H GLU A 47 -11.198 -2.889 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.742 -1.813 -8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.630 -2.846 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.293 -2.913 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.953 -4.614 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.472 -5.124 -6.684 1.00 0.00 H new ATOM 696 N TYR A 48 -12.054 -0.272 -6.215 1.00 0.00 N ATOM 697 CA TYR A 48 -12.038 0.881 -5.315 1.00 0.00 C ATOM 698 C TYR A 48 -11.493 2.175 -5.936 1.00 0.00 C ATOM 699 O TYR A 48 -11.684 3.227 -5.329 1.00 0.00 O ATOM 700 CB TYR A 48 -11.248 0.516 -4.049 1.00 0.00 C ATOM 701 CG TYR A 48 -12.006 -0.406 -3.110 1.00 0.00 C ATOM 702 CD1 TYR A 48 -12.017 -1.794 -3.331 1.00 0.00 C ATOM 703 CD2 TYR A 48 -12.769 0.132 -2.056 1.00 0.00 C ATOM 704 CE1 TYR A 48 -12.792 -2.639 -2.521 1.00 0.00 C ATOM 705 CE2 TYR A 48 -13.534 -0.714 -1.234 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.568 -2.096 -1.486 1.00 0.00 C ATOM 707 OH TYR A 48 -14.365 -2.919 -0.750 1.00 0.00 O ATOM 0 H TYR A 48 -11.245 -0.883 -6.108 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.078 1.103 -5.078 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.312 0.038 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.987 1.430 -3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.424 -2.214 -4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.767 1.197 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.791 -3.705 -2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.096 -0.302 -0.409 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.684 -2.441 0.044 1.00 0.00 H new ATOM 717 N LYS A 49 -10.935 2.131 -7.150 1.00 0.00 N ATOM 718 CA LYS A 49 -10.239 3.226 -7.829 1.00 0.00 C ATOM 719 C LYS A 49 -10.870 4.596 -7.581 1.00 0.00 C ATOM 720 O LYS A 49 -10.217 5.515 -7.093 1.00 0.00 O ATOM 721 CB LYS A 49 -10.267 2.908 -9.335 1.00 0.00 C ATOM 722 CG LYS A 49 -9.668 3.997 -10.231 1.00 0.00 C ATOM 723 CD LYS A 49 -9.562 3.533 -11.692 1.00 0.00 C ATOM 724 CE LYS A 49 -10.911 3.111 -12.298 1.00 0.00 C ATOM 725 NZ LYS A 49 -11.216 1.683 -12.076 1.00 0.00 N ATOM 0 H LYS A 49 -10.959 1.283 -7.716 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.225 3.291 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.726 1.978 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.300 2.736 -9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.286 4.893 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.679 4.269 -9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.139 4.339 -12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.868 2.695 -11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.705 3.719 -11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.903 3.314 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.537 1.254 -12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.361 1.193 -11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.965 1.595 -11.360 1.00 0.00 H new ATOM 739 N ASP A 50 -12.143 4.728 -7.942 1.00 0.00 N ATOM 740 CA ASP A 50 -12.921 5.952 -7.822 1.00 0.00 C ATOM 741 C ASP A 50 -12.873 6.550 -6.413 1.00 0.00 C ATOM 742 O ASP A 50 -12.840 7.766 -6.246 1.00 0.00 O ATOM 743 CB ASP A 50 -14.377 5.626 -8.169 1.00 0.00 C ATOM 744 CG ASP A 50 -14.553 5.277 -9.644 1.00 0.00 C ATOM 745 OD1 ASP A 50 -14.034 4.205 -10.030 1.00 0.00 O ATOM 746 OD2 ASP A 50 -15.192 6.083 -10.353 1.00 0.00 O ATOM 0 H ASP A 50 -12.678 3.956 -8.340 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.494 6.689 -8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.717 4.791 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.008 6.480 -7.921 1.00 0.00 H new ATOM 751 N LYS A 51 -12.928 5.679 -5.408 1.00 0.00 N ATOM 752 CA LYS A 51 -13.014 6.037 -4.000 1.00 0.00 C ATOM 753 C LYS A 51 -11.652 6.162 -3.325 1.00 0.00 C ATOM 754 O LYS A 51 -11.498 6.975 -2.420 1.00 0.00 O ATOM 755 CB LYS A 51 -13.798 4.959 -3.228 1.00 0.00 C ATOM 756 CG LYS A 51 -14.882 4.244 -4.050 1.00 0.00 C ATOM 757 CD LYS A 51 -15.650 3.253 -3.166 1.00 0.00 C ATOM 758 CE LYS A 51 -16.639 2.416 -3.986 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.955 1.508 -4.926 1.00 0.00 N ATOM 0 H LYS A 51 -12.913 4.671 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.511 7.007 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.095 4.215 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.266 5.421 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.571 4.976 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.425 3.717 -4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.945 2.593 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.189 3.798 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.266 1.833 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.301 3.080 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.639 0.825 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.544 2.060 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.198 0.998 -4.427 1.00 0.00 H new ATOM 773 N LEU A 52 -10.712 5.291 -3.695 1.00 0.00 N ATOM 774 CA LEU A 52 -9.442 5.094 -3.007 1.00 0.00 C ATOM 775 C LEU A 52 -8.450 4.463 -3.991 1.00 0.00 C ATOM 776 O LEU A 52 -8.837 3.673 -4.848 1.00 0.00 O ATOM 777 CB LEU A 52 -9.753 4.238 -1.753 1.00 0.00 C ATOM 778 CG LEU A 52 -8.894 3.000 -1.442 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.510 3.270 -0.850 1.00 0.00 C ATOM 780 CD2 LEU A 52 -9.658 2.174 -0.402 1.00 0.00 C ATOM 0 H LEU A 52 -10.820 4.685 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.969 6.016 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.699 4.898 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.787 3.904 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.725 2.509 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.999 2.324 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.927 3.873 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.616 3.807 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.083 1.283 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.811 2.772 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.625 1.879 -0.810 1.00 0.00 H new ATOM 792 N LYS A 53 -7.172 4.817 -3.881 1.00 0.00 N ATOM 793 CA LYS A 53 -6.084 4.386 -4.754 1.00 0.00 C ATOM 794 C LYS A 53 -5.397 3.153 -4.153 1.00 0.00 C ATOM 795 O LYS A 53 -5.421 2.960 -2.943 1.00 0.00 O ATOM 796 CB LYS A 53 -5.102 5.568 -4.890 1.00 0.00 C ATOM 797 CG LYS A 53 -4.555 5.839 -6.301 1.00 0.00 C ATOM 798 CD LYS A 53 -3.759 4.671 -6.896 1.00 0.00 C ATOM 799 CE LYS A 53 -2.911 5.086 -8.103 1.00 0.00 C ATOM 800 NZ LYS A 53 -1.763 5.923 -7.711 1.00 0.00 N ATOM 0 H LYS A 53 -6.851 5.444 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.455 4.104 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.602 6.470 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.258 5.390 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.388 6.073 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.916 6.722 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.109 4.251 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.449 3.882 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.551 4.195 -8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.533 5.633 -8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.108 6.013 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.100 6.867 -7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.269 5.481 -6.909 1.00 0.00 H new ATOM 814 N CYS A 54 -4.760 2.314 -4.970 1.00 0.00 N ATOM 815 CA CYS A 54 -4.008 1.147 -4.517 1.00 0.00 C ATOM 816 C CYS A 54 -2.617 1.267 -5.128 1.00 0.00 C ATOM 817 O CYS A 54 -2.481 1.784 -6.241 1.00 0.00 O ATOM 818 CB CYS A 54 -4.670 -0.136 -5.013 1.00 0.00 C ATOM 819 SG CYS A 54 -5.332 -1.174 -3.695 1.00 0.00 S ATOM 0 H CYS A 54 -4.753 2.430 -5.983 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.970 1.108 -3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.478 0.125 -5.697 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.942 -0.712 -5.584 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.875 -2.237 -4.211 1.00 0.00 H new ATOM 825 N VAL A 55 -1.582 0.799 -4.431 1.00 0.00 N ATOM 826 CA VAL A 55 -0.214 0.955 -4.903 1.00 0.00 C ATOM 827 C VAL A 55 0.710 -0.069 -4.251 1.00 0.00 C ATOM 828 O VAL A 55 0.340 -0.721 -3.277 1.00 0.00 O ATOM 829 CB VAL A 55 0.311 2.390 -4.650 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.616 3.080 -5.978 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.621 3.303 -3.852 1.00 0.00 C ATOM 0 H VAL A 55 -1.668 0.310 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.220 0.781 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 55 1.203 2.244 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.984 4.088 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.374 2.512 -6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.293 3.133 -6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.157 4.282 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.566 3.412 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.805 2.867 -2.870 1.00 0.00 H new ATOM 841 N LYS A 56 1.922 -0.187 -4.797 1.00 0.00 N ATOM 842 CA LYS A 56 2.932 -1.138 -4.368 1.00 0.00 C ATOM 843 C LYS A 56 4.319 -0.482 -4.268 1.00 0.00 C ATOM 844 O LYS A 56 4.901 -0.092 -5.283 1.00 0.00 O ATOM 845 CB LYS A 56 2.915 -2.287 -5.381 1.00 0.00 C ATOM 846 CG LYS A 56 2.059 -3.446 -4.859 1.00 0.00 C ATOM 847 CD LYS A 56 1.897 -4.561 -5.896 1.00 0.00 C ATOM 848 CE LYS A 56 0.996 -4.124 -7.059 1.00 0.00 C ATOM 849 NZ LYS A 56 0.629 -5.273 -7.902 1.00 0.00 N ATOM 0 H LYS A 56 2.231 0.398 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 56 2.713 -1.510 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.520 -1.935 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.932 -2.632 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.515 -3.855 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.076 -3.070 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.876 -4.846 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.473 -5.444 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.094 -3.653 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.511 -3.376 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.210 -5.034 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.420 -5.505 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.417 -6.093 -7.298 1.00 0.00 H new ATOM 863 N LEU A 57 4.864 -0.376 -3.051 1.00 0.00 N ATOM 864 CA LEU A 57 6.183 0.199 -2.790 1.00 0.00 C ATOM 865 C LEU A 57 7.223 -0.914 -2.733 1.00 0.00 C ATOM 866 O LEU A 57 7.165 -1.785 -1.869 1.00 0.00 O ATOM 867 CB LEU A 57 6.150 1.016 -1.488 1.00 0.00 C ATOM 868 CG LEU A 57 7.492 1.650 -1.076 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.233 2.960 -0.323 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.285 0.718 -0.151 1.00 0.00 C ATOM 0 H LEU A 57 4.390 -0.694 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 57 6.459 0.877 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.410 1.809 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.810 0.368 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 57 8.067 1.831 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.184 3.407 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.690 3.650 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.640 2.756 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.227 1.193 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.704 0.518 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.488 -0.220 -0.667 1.00 0.00 H new ATOM 882 N ASN A 58 8.185 -0.903 -3.663 1.00 0.00 N ATOM 883 CA ASN A 58 9.260 -1.891 -3.647 1.00 0.00 C ATOM 884 C ASN A 58 10.243 -1.506 -2.542 1.00 0.00 C ATOM 885 O ASN A 58 10.956 -0.516 -2.651 1.00 0.00 O ATOM 886 CB ASN A 58 9.946 -1.993 -5.008 1.00 0.00 C ATOM 887 CG ASN A 58 11.024 -3.078 -4.969 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.923 -3.045 -4.134 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.942 -4.071 -5.844 1.00 0.00 N ATOM 0 H ASN A 58 8.238 -0.228 -4.426 1.00 0.00 H new ATOM 0 HA ASN A 58 8.851 -2.880 -3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.211 -2.226 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.392 -1.034 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.632 -4.822 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.189 -4.084 -6.532 1.00 0.00 H new ATOM 896 N THR A 59 10.290 -2.318 -1.491 1.00 0.00 N ATOM 897 CA THR A 59 11.042 -2.071 -0.267 1.00 0.00 C ATOM 898 C THR A 59 12.556 -2.087 -0.514 1.00 0.00 C ATOM 899 O THR A 59 13.307 -1.395 0.168 1.00 0.00 O ATOM 900 CB THR A 59 10.607 -3.129 0.766 1.00 0.00 C ATOM 901 OG1 THR A 59 9.193 -3.198 0.821 1.00 0.00 O ATOM 902 CG2 THR A 59 11.082 -2.799 2.180 1.00 0.00 C ATOM 0 H THR A 59 9.784 -3.203 -1.469 1.00 0.00 H new ATOM 0 HA THR A 59 10.825 -1.073 0.114 1.00 0.00 H new ATOM 0 HB THR A 59 11.053 -4.069 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.866 -3.789 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.748 -3.577 2.867 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.171 -2.745 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.667 -1.840 2.489 1.00 0.00 H new ATOM 910 N ASP A 60 13.002 -2.856 -1.508 1.00 0.00 N ATOM 911 CA ASP A 60 14.404 -3.031 -1.862 1.00 0.00 C ATOM 912 C ASP A 60 14.904 -1.800 -2.623 1.00 0.00 C ATOM 913 O ASP A 60 16.029 -1.346 -2.443 1.00 0.00 O ATOM 914 CB ASP A 60 14.508 -4.300 -2.716 1.00 0.00 C ATOM 915 CG ASP A 60 15.883 -4.950 -2.628 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.862 -4.324 -3.090 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.917 -6.077 -2.086 1.00 0.00 O ATOM 0 H ASP A 60 12.373 -3.391 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 60 15.026 -3.137 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.750 -5.014 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.292 -4.053 -3.756 1.00 0.00 H new ATOM 922 N GLU A 61 14.020 -1.273 -3.475 1.00 0.00 N ATOM 923 CA GLU A 61 14.217 -0.079 -4.284 1.00 0.00 C ATOM 924 C GLU A 61 13.966 1.188 -3.455 1.00 0.00 C ATOM 925 O GLU A 61 14.503 2.248 -3.771 1.00 0.00 O ATOM 926 CB GLU A 61 13.233 -0.135 -5.459 1.00 0.00 C ATOM 927 CG GLU A 61 13.565 0.853 -6.581 1.00 0.00 C ATOM 928 CD GLU A 61 14.785 0.416 -7.387 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.629 -0.550 -8.165 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.846 1.050 -7.208 1.00 0.00 O ATOM 0 H GLU A 61 13.102 -1.693 -3.623 1.00 0.00 H new ATOM 0 HA GLU A 61 15.245 -0.045 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.223 -1.146 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.228 0.070 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.707 0.948 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.747 1.839 -6.153 1.00 0.00 H new ATOM 937 N SER A 62 13.141 1.074 -2.406 1.00 0.00 N ATOM 938 CA SER A 62 12.736 2.133 -1.493 1.00 0.00 C ATOM 939 C SER A 62 13.193 1.863 -0.049 1.00 0.00 C ATOM 940 O SER A 62 12.392 1.955 0.885 1.00 0.00 O ATOM 941 CB SER A 62 11.215 2.256 -1.546 1.00 0.00 C ATOM 942 OG SER A 62 10.761 2.164 -2.880 1.00 0.00 O ATOM 0 H SER A 62 12.715 0.179 -2.163 1.00 0.00 H new ATOM 0 HA SER A 62 13.212 3.063 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.759 1.470 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.905 3.208 -1.114 1.00 0.00 H new ATOM 0 HG SER A 62 10.682 1.221 -3.134 1.00 0.00 H new ATOM 948 N PRO A 63 14.485 1.565 0.148 1.00 0.00 N ATOM 949 CA PRO A 63 15.096 1.267 1.427 1.00 0.00 C ATOM 950 C PRO A 63 15.012 2.491 2.324 1.00 0.00 C ATOM 951 O PRO A 63 14.938 2.363 3.539 1.00 0.00 O ATOM 952 CB PRO A 63 16.554 0.919 1.123 1.00 0.00 C ATOM 953 CG PRO A 63 16.829 1.777 -0.108 1.00 0.00 C ATOM 954 CD PRO A 63 15.509 1.659 -0.860 1.00 0.00 C ATOM 0 HA PRO A 63 14.597 0.446 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.216 1.170 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.687 -0.143 0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.061 2.809 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.669 1.400 -0.692 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.347 2.525 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.504 0.780 -1.504 1.00 0.00 H new ATOM 962 N ASN A 64 15.044 3.681 1.718 1.00 0.00 N ATOM 963 CA ASN A 64 14.971 4.934 2.469 1.00 0.00 C ATOM 964 C ASN A 64 13.678 4.960 3.278 1.00 0.00 C ATOM 965 O ASN A 64 13.705 4.923 4.509 1.00 0.00 O ATOM 966 CB ASN A 64 15.094 6.153 1.549 1.00 0.00 C ATOM 967 CG ASN A 64 16.438 6.180 0.830 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.459 6.510 1.423 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.466 5.822 -0.451 1.00 0.00 N ATOM 0 H ASN A 64 15.120 3.801 0.708 1.00 0.00 H new ATOM 0 HA ASN A 64 15.816 4.986 3.156 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.288 6.138 0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.975 7.065 2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.350 5.818 -0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.604 5.551 -0.924 1.00 0.00 H new ATOM 976 N VAL A 65 12.541 4.968 2.584 1.00 0.00 N ATOM 977 CA VAL A 65 11.237 4.976 3.226 1.00 0.00 C ATOM 978 C VAL A 65 11.102 3.769 4.155 1.00 0.00 C ATOM 979 O VAL A 65 10.651 3.896 5.294 1.00 0.00 O ATOM 980 CB VAL A 65 10.172 5.037 2.125 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.773 4.728 2.659 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.204 6.455 1.541 1.00 0.00 C ATOM 0 H VAL A 65 12.503 4.969 1.565 1.00 0.00 H new ATOM 0 HA VAL A 65 11.105 5.849 3.865 1.00 0.00 H new ATOM 0 HB VAL A 65 10.392 4.284 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.052 4.783 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.760 3.726 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.508 5.454 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.458 6.540 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.984 7.177 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.193 6.657 1.129 1.00 0.00 H new ATOM 992 N ALA A 66 11.520 2.600 3.669 1.00 0.00 N ATOM 993 CA ALA A 66 11.506 1.378 4.460 1.00 0.00 C ATOM 994 C ALA A 66 12.210 1.585 5.810 1.00 0.00 C ATOM 995 O ALA A 66 11.680 1.201 6.850 1.00 0.00 O ATOM 996 CB ALA A 66 12.177 0.254 3.670 1.00 0.00 C ATOM 0 H ALA A 66 11.875 2.478 2.721 1.00 0.00 H new ATOM 0 HA ALA A 66 10.471 1.105 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.167 -0.662 4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.635 0.091 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.207 0.531 3.447 1.00 0.00 H new ATOM 1002 N SER A 67 13.394 2.201 5.804 1.00 0.00 N ATOM 1003 CA SER A 67 14.163 2.463 7.012 1.00 0.00 C ATOM 1004 C SER A 67 13.455 3.492 7.887 1.00 0.00 C ATOM 1005 O SER A 67 13.372 3.311 9.098 1.00 0.00 O ATOM 1006 CB SER A 67 15.573 2.943 6.655 1.00 0.00 C ATOM 1007 OG SER A 67 16.244 1.954 5.901 1.00 0.00 O ATOM 0 H SER A 67 13.845 2.533 4.952 1.00 0.00 H new ATOM 0 HA SER A 67 14.246 1.533 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.517 3.871 6.085 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.133 3.161 7.564 1.00 0.00 H new ATOM 0 HG SER A 67 15.906 1.959 4.981 1.00 0.00 H new ATOM 1013 N GLU A 68 12.952 4.567 7.274 1.00 0.00 N ATOM 1014 CA GLU A 68 12.237 5.623 7.985 1.00 0.00 C ATOM 1015 C GLU A 68 11.090 5.025 8.808 1.00 0.00 C ATOM 1016 O GLU A 68 10.915 5.382 9.970 1.00 0.00 O ATOM 1017 CB GLU A 68 11.704 6.661 6.990 1.00 0.00 C ATOM 1018 CG GLU A 68 12.833 7.478 6.344 1.00 0.00 C ATOM 1019 CD GLU A 68 12.362 8.176 5.071 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.305 8.841 5.145 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.058 8.028 4.043 1.00 0.00 O ATOM 0 H GLU A 68 13.031 4.727 6.270 1.00 0.00 H new ATOM 0 HA GLU A 68 12.927 6.120 8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.132 6.156 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.018 7.335 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.198 8.221 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.671 6.821 6.111 1.00 0.00 H new ATOM 1028 N TYR A 69 10.309 4.121 8.207 1.00 0.00 N ATOM 1029 CA TYR A 69 9.199 3.481 8.905 1.00 0.00 C ATOM 1030 C TYR A 69 9.674 2.343 9.816 1.00 0.00 C ATOM 1031 O TYR A 69 9.062 2.098 10.853 1.00 0.00 O ATOM 1032 CB TYR A 69 8.181 2.976 7.879 1.00 0.00 C ATOM 1033 CG TYR A 69 7.229 4.063 7.419 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.261 4.565 8.309 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.356 4.627 6.137 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.461 5.660 7.940 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.553 5.719 5.766 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.628 6.252 6.677 1.00 0.00 C ATOM 1039 OH TYR A 69 4.883 7.338 6.327 1.00 0.00 O ATOM 0 H TYR A 69 10.428 3.819 7.240 1.00 0.00 H new ATOM 0 HA TYR A 69 8.726 4.220 9.552 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.710 2.572 7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.608 2.157 8.314 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.133 4.107 9.279 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.071 4.221 5.437 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.720 6.045 8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.648 6.148 4.779 1.00 0.00 H new ATOM 0 HH TYR A 69 4.117 7.049 5.788 1.00 0.00 H new ATOM 1049 N GLY A 70 10.733 1.631 9.431 1.00 0.00 N ATOM 1050 CA GLY A 70 11.295 0.531 10.206 1.00 0.00 C ATOM 1051 C GLY A 70 10.719 -0.797 9.725 1.00 0.00 C ATOM 1052 O GLY A 70 10.240 -1.618 10.510 1.00 0.00 O ATOM 0 H GLY A 70 11.230 1.807 8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.380 0.523 10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.073 0.671 11.264 1.00 0.00 H new ATOM 1056 N ILE A 71 10.767 -1.002 8.409 1.00 0.00 N ATOM 1057 CA ILE A 71 10.251 -2.191 7.759 1.00 0.00 C ATOM 1058 C ILE A 71 11.253 -3.333 7.923 1.00 0.00 C ATOM 1059 O ILE A 71 12.168 -3.509 7.121 1.00 0.00 O ATOM 1060 CB ILE A 71 9.950 -1.874 6.288 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.974 -0.692 6.160 1.00 0.00 C ATOM 1062 CG2 ILE A 71 9.375 -3.102 5.572 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.553 -0.958 6.657 1.00 0.00 C ATOM 0 H ILE A 71 11.174 -0.330 7.759 1.00 0.00 H new ATOM 0 HA ILE A 71 9.317 -2.511 8.221 1.00 0.00 H new ATOM 0 HB ILE A 71 10.892 -1.597 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.381 0.155 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.925 -0.395 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.170 -2.853 4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.096 -3.919 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.450 -3.408 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.947 -0.062 6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.117 -1.780 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.581 -1.221 7.714 1.00 0.00 H new ATOM 1075 N ARG A 72 11.047 -4.133 8.967 1.00 0.00 N ATOM 1076 CA ARG A 72 11.855 -5.303 9.263 1.00 0.00 C ATOM 1077 C ARG A 72 11.448 -6.482 8.379 1.00 0.00 C ATOM 1078 O ARG A 72 12.224 -7.413 8.170 1.00 0.00 O ATOM 1079 CB ARG A 72 11.654 -5.716 10.733 1.00 0.00 C ATOM 1080 CG ARG A 72 10.246 -6.251 11.085 1.00 0.00 C ATOM 1081 CD ARG A 72 9.178 -5.160 11.245 1.00 0.00 C ATOM 1082 NE ARG A 72 8.378 -5.027 10.018 1.00 0.00 N ATOM 1083 CZ ARG A 72 7.612 -3.983 9.677 1.00 0.00 C ATOM 1084 NH1 ARG A 72 7.660 -2.831 10.354 1.00 0.00 N ATOM 1085 NH2 ARG A 72 6.806 -4.108 8.621 1.00 0.00 N ATOM 0 H ARG A 72 10.297 -3.979 9.641 1.00 0.00 H new ATOM 0 HA ARG A 72 12.898 -5.047 9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.388 -6.483 10.981 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.866 -4.855 11.367 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.928 -6.943 10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.308 -6.821 12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.527 -5.403 12.084 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.656 -4.208 11.478 1.00 0.00 H new ATOM 0 HE ARG A 72 8.410 -5.807 9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.290 -2.733 11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.066 -2.050 10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.785 -4.983 8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.211 -3.329 8.338 1.00 0.00 H new ATOM 1099 N SER A 73 10.193 -6.487 7.929 1.00 0.00 N ATOM 1100 CA SER A 73 9.567 -7.594 7.237 1.00 0.00 C ATOM 1101 C SER A 73 8.362 -7.047 6.477 1.00 0.00 C ATOM 1102 O SER A 73 7.865 -5.972 6.813 1.00 0.00 O ATOM 1103 CB SER A 73 9.137 -8.634 8.282 1.00 0.00 C ATOM 1104 OG SER A 73 10.223 -9.056 9.084 1.00 0.00 O ATOM 0 H SER A 73 9.570 -5.688 8.045 1.00 0.00 H new ATOM 0 HA SER A 73 10.248 -8.070 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.360 -8.210 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.701 -9.497 7.778 1.00 0.00 H new ATOM 0 HG SER A 73 9.910 -9.716 9.738 1.00 0.00 H new ATOM 1110 N ILE A 74 7.900 -7.792 5.475 1.00 0.00 N ATOM 1111 CA ILE A 74 6.814 -7.432 4.570 1.00 0.00 C ATOM 1112 C ILE A 74 6.024 -8.713 4.261 1.00 0.00 C ATOM 1113 O ILE A 74 6.584 -9.789 4.469 1.00 0.00 O ATOM 1114 CB ILE A 74 7.407 -6.785 3.302 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.529 -7.633 2.689 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.916 -5.375 3.626 1.00 0.00 C ATOM 1117 CD1 ILE A 74 8.945 -7.062 1.333 1.00 0.00 C ATOM 0 H ILE A 74 8.294 -8.709 5.263 1.00 0.00 H new ATOM 0 HA ILE A 74 6.136 -6.703 5.014 1.00 0.00 H new ATOM 0 HB ILE A 74 6.612 -6.723 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.387 -7.654 3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.192 -8.663 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.334 -4.923 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.089 -4.764 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.687 -5.434 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.742 -7.674 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.088 -7.065 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.302 -6.040 1.462 1.00 0.00 H new ATOM 1129 N PRO A 75 4.767 -8.664 3.781 1.00 0.00 N ATOM 1130 CA PRO A 75 3.993 -7.485 3.424 1.00 0.00 C ATOM 1131 C PRO A 75 3.655 -6.585 4.612 1.00 0.00 C ATOM 1132 O PRO A 75 3.626 -6.993 5.777 1.00 0.00 O ATOM 1133 CB PRO A 75 2.708 -8.004 2.769 1.00 0.00 C ATOM 1134 CG PRO A 75 2.531 -9.374 3.410 1.00 0.00 C ATOM 1135 CD PRO A 75 3.969 -9.861 3.580 1.00 0.00 C ATOM 0 HA PRO A 75 4.584 -6.857 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.859 -7.351 2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.806 -8.074 1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.011 -9.308 4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.950 -10.044 2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.056 -10.537 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.303 -10.411 2.700 1.00 0.00 H new ATOM 1143 N THR A 76 3.447 -5.315 4.281 1.00 0.00 N ATOM 1144 CA THR A 76 3.042 -4.264 5.184 1.00 0.00 C ATOM 1145 C THR A 76 2.264 -3.287 4.318 1.00 0.00 C ATOM 1146 O THR A 76 2.833 -2.575 3.491 1.00 0.00 O ATOM 1147 CB THR A 76 4.253 -3.654 5.899 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.736 -4.603 6.828 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.882 -2.375 6.655 1.00 0.00 C ATOM 0 H THR A 76 3.565 -4.982 3.324 1.00 0.00 H new ATOM 0 HA THR A 76 2.414 -4.615 6.003 1.00 0.00 H new ATOM 0 HB THR A 76 5.005 -3.399 5.153 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.329 -5.476 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.768 -1.974 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.492 -1.638 5.953 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.122 -2.602 7.403 1.00 0.00 H new ATOM 1157 N ILE A 77 0.943 -3.333 4.461 1.00 0.00 N ATOM 1158 CA ILE A 77 0.027 -2.493 3.724 1.00 0.00 C ATOM 1159 C ILE A 77 -0.194 -1.246 4.562 1.00 0.00 C ATOM 1160 O ILE A 77 -0.638 -1.356 5.701 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.264 -3.281 3.450 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.956 -4.314 2.350 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.389 -2.333 3.017 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -2.029 -5.393 2.226 1.00 0.00 C ATOM 0 H ILE A 77 0.478 -3.971 5.107 1.00 0.00 H new ATOM 0 HA ILE A 77 0.414 -2.192 2.750 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.602 -3.789 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.854 -3.799 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.003 -4.786 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.296 -2.907 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.578 -1.607 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.094 -1.810 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.754 -6.090 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.115 -5.931 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.985 -4.929 1.985 1.00 0.00 H new ATOM 1176 N MET A 78 0.160 -0.071 4.049 1.00 0.00 N ATOM 1177 CA MET A 78 -0.062 1.189 4.731 1.00 0.00 C ATOM 1178 C MET A 78 -1.243 1.891 4.086 1.00 0.00 C ATOM 1179 O MET A 78 -1.292 2.047 2.864 1.00 0.00 O ATOM 1180 CB MET A 78 1.162 2.090 4.629 1.00 0.00 C ATOM 1181 CG MET A 78 2.339 1.530 5.417 1.00 0.00 C ATOM 1182 SD MET A 78 3.689 2.691 5.715 1.00 0.00 S ATOM 1183 CE MET A 78 4.857 1.524 6.430 1.00 0.00 C ATOM 0 H MET A 78 0.612 0.028 3.140 1.00 0.00 H new ATOM 0 HA MET A 78 -0.257 0.987 5.784 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.445 2.203 3.582 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.914 3.084 5.001 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.973 1.169 6.378 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.735 0.667 4.882 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.873 1.825 6.177 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.741 1.511 7.514 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.665 0.527 6.033 1.00 0.00 H new ATOM 1193 N VAL A 79 -2.186 2.317 4.918 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.312 3.109 4.475 1.00 0.00 C ATOM 1195 C VAL A 79 -2.871 4.556 4.621 1.00 0.00 C ATOM 1196 O VAL A 79 -2.595 5.003 5.733 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.565 2.825 5.318 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.722 3.713 4.831 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.955 1.347 5.206 1.00 0.00 C ATOM 0 H VAL A 79 -2.186 2.119 5.919 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.586 2.872 3.447 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.352 3.050 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.611 3.512 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.444 4.762 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.932 3.495 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.844 1.159 5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.164 1.104 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.135 0.726 5.566 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.774 5.266 3.503 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.428 6.672 3.443 1.00 0.00 C ATOM 1211 C PHE A 80 -3.610 7.439 2.872 1.00 0.00 C ATOM 1212 O PHE A 80 -4.536 6.851 2.310 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.197 6.859 2.555 1.00 0.00 C ATOM 1214 CG PHE A 80 0.123 6.527 3.217 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.857 7.547 3.852 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.704 5.259 3.033 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.143 7.283 4.353 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.020 5.024 3.466 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.710 6.008 4.188 1.00 0.00 C ATOM 0 H PHE A 80 -2.941 4.859 2.583 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.198 7.046 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.309 6.235 1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.166 7.894 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.431 8.534 3.954 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.140 4.468 2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.694 8.058 4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.501 4.083 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.676 5.786 4.617 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.553 8.759 3.022 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.503 9.712 2.480 1.00 0.00 C ATOM 1231 C LYS A 81 -3.791 11.062 2.525 1.00 0.00 C ATOM 1232 O LYS A 81 -2.566 11.096 2.656 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.841 9.672 3.257 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.905 10.394 4.616 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.728 10.061 5.536 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.837 10.754 6.897 1.00 0.00 C ATOM 1237 NZ LYS A 81 -4.779 12.222 6.767 1.00 0.00 N ATOM 0 H LYS A 81 -2.806 9.210 3.551 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.794 9.484 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.613 10.097 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.102 8.626 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.931 11.470 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.835 10.128 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.680 8.982 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.797 10.359 5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.773 10.468 7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.029 10.414 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.435 12.636 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.132 12.477 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.729 12.590 6.559 1.00 0.00 H new ATOM 1251 N GLY A 82 -4.552 12.153 2.454 1.00 0.00 N ATOM 1252 CA GLY A 82 -4.071 13.519 2.545 1.00 0.00 C ATOM 1253 C GLY A 82 -2.862 13.711 3.467 1.00 0.00 C ATOM 1254 O GLY A 82 -3.003 13.734 4.692 1.00 0.00 O ATOM 0 H GLY A 82 -5.563 12.100 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.807 13.864 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.884 14.154 2.897 1.00 0.00 H new ATOM 1258 N GLY A 83 -1.673 13.854 2.877 1.00 0.00 N ATOM 1259 CA GLY A 83 -0.436 14.159 3.572 1.00 0.00 C ATOM 1260 C GLY A 83 0.161 13.000 4.361 1.00 0.00 C ATOM 1261 O GLY A 83 1.277 12.568 4.079 1.00 0.00 O ATOM 0 H GLY A 83 -1.549 13.756 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.299 14.499 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.615 14.990 4.255 1.00 0.00 H new ATOM 1265 N LYS A 84 -0.555 12.544 5.387 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.058 11.575 6.357 1.00 0.00 C ATOM 1267 C LYS A 84 -0.619 10.163 6.160 1.00 0.00 C ATOM 1268 O LYS A 84 -1.431 9.891 5.273 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.393 12.099 7.765 1.00 0.00 C ATOM 1270 CG LYS A 84 0.123 13.522 8.033 1.00 0.00 C ATOM 1271 CD LYS A 84 1.648 13.628 7.887 1.00 0.00 C ATOM 1272 CE LYS A 84 2.131 15.015 8.322 1.00 0.00 C ATOM 1273 NZ LYS A 84 3.591 15.146 8.169 1.00 0.00 N ATOM 0 H LYS A 84 -1.513 12.844 5.569 1.00 0.00 H new ATOM 0 HA LYS A 84 1.018 11.478 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.474 12.082 7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.032 11.422 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.355 14.215 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.165 13.827 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.132 12.861 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.934 13.445 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.631 15.780 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.855 15.189 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.888 16.096 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.067 14.431 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.850 15.004 7.172 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.139 9.250 7.010 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.584 7.871 7.074 1.00 0.00 C ATOM 1289 C LYS A 85 -1.780 7.803 8.024 1.00 0.00 C ATOM 1290 O LYS A 85 -1.934 8.660 8.894 1.00 0.00 O ATOM 1291 CB LYS A 85 0.566 6.979 7.568 1.00 0.00 C ATOM 1292 CG LYS A 85 0.304 5.496 7.262 1.00 0.00 C ATOM 1293 CD LYS A 85 1.489 4.605 7.647 1.00 0.00 C ATOM 1294 CE LYS A 85 1.681 4.507 9.163 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.791 3.597 9.494 1.00 0.00 N ATOM 0 H LYS A 85 0.591 9.465 7.689 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.883 7.514 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.497 7.290 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.695 7.112 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.585 5.168 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.094 5.378 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.336 3.606 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.398 4.999 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.882 5.497 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.762 4.150 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.848 3.480 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.626 2.672 9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.684 3.996 9.141 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.620 6.785 7.851 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.789 6.524 8.675 1.00 0.00 C ATOM 1311 C CYS A 86 -3.479 5.372 9.626 1.00 0.00 C ATOM 1312 O CYS A 86 -3.337 5.569 10.830 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.979 6.174 7.777 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.409 5.852 8.832 1.00 0.00 S ATOM 0 H CYS A 86 -2.498 6.098 7.107 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.042 7.409 9.258 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.191 6.994 7.090 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.751 5.299 7.168 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.478 5.763 8.098 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.341 4.165 9.065 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.082 2.914 9.771 1.00 0.00 C ATOM 1322 C GLU A 87 -2.228 2.018 8.869 1.00 0.00 C ATOM 1323 O GLU A 87 -1.929 2.392 7.734 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.424 2.224 10.089 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.320 2.975 11.090 1.00 0.00 C ATOM 1326 CD GLU A 87 -4.919 2.745 12.547 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -3.726 2.946 12.860 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.813 2.338 13.324 1.00 0.00 O ATOM 0 H GLU A 87 -3.411 4.033 8.056 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.554 3.103 10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.976 2.091 9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.219 1.229 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.281 4.042 10.873 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.354 2.659 10.950 1.00 0.00 H new ATOM 1335 N THR A 88 -1.840 0.830 9.347 1.00 0.00 N ATOM 1336 CA THR A 88 -1.084 -0.126 8.554 1.00 0.00 C ATOM 1337 C THR A 88 -1.358 -1.547 9.048 1.00 0.00 C ATOM 1338 O THR A 88 -1.655 -1.745 10.225 1.00 0.00 O ATOM 1339 CB THR A 88 0.413 0.223 8.575 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.128 -0.676 7.751 1.00 0.00 O ATOM 1341 CG2 THR A 88 1.020 0.172 9.981 1.00 0.00 C ATOM 0 H THR A 88 -2.045 0.512 10.294 1.00 0.00 H new ATOM 0 HA THR A 88 -1.408 -0.073 7.515 1.00 0.00 H new ATOM 0 HB THR A 88 0.495 1.246 8.208 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.559 -0.959 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.078 0.428 9.930 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.505 0.884 10.626 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.909 -0.833 10.389 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.295 -2.512 8.130 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.556 -3.922 8.330 1.00 0.00 C ATOM 1351 C ILE A 89 -0.289 -4.672 7.930 1.00 0.00 C ATOM 1352 O ILE A 89 0.033 -4.783 6.747 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.763 -4.349 7.477 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.904 -3.345 7.695 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.189 -5.773 7.855 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -5.160 -3.670 6.888 1.00 0.00 C ATOM 0 H ILE A 89 -1.042 -2.306 7.164 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.802 -4.145 9.368 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.498 -4.352 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.158 -3.320 8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.557 -2.347 7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.044 -6.070 7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.361 -6.460 7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.465 -5.803 8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.926 -2.921 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.920 -3.667 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.531 -4.654 7.173 1.00 0.00 H new ATOM 1368 N ILE A 90 0.439 -5.136 8.940 1.00 0.00 N ATOM 1369 CA ILE A 90 1.665 -5.912 8.801 1.00 0.00 C ATOM 1370 C ILE A 90 1.278 -7.391 8.740 1.00 0.00 C ATOM 1371 O ILE A 90 0.429 -7.829 9.515 1.00 0.00 O ATOM 1372 CB ILE A 90 2.607 -5.620 9.990 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.988 -4.126 10.011 1.00 0.00 C ATOM 1374 CG2 ILE A 90 3.878 -6.482 9.894 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.781 -3.716 11.256 1.00 0.00 C ATOM 0 H ILE A 90 0.181 -4.976 9.914 1.00 0.00 H new ATOM 0 HA ILE A 90 2.199 -5.641 7.890 1.00 0.00 H new ATOM 0 HB ILE A 90 2.084 -5.868 10.914 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.577 -3.897 9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.079 -3.526 9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.530 -6.264 10.739 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.604 -7.537 9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.401 -6.257 8.964 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.015 -2.653 11.204 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.186 -3.914 12.148 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.707 -4.290 11.303 1.00 0.00 H new ATOM 1387 N GLY A 91 1.902 -8.159 7.841 1.00 0.00 N ATOM 1388 CA GLY A 91 1.662 -9.591 7.732 1.00 0.00 C ATOM 1389 C GLY A 91 0.682 -9.930 6.612 1.00 0.00 C ATOM 1390 O GLY A 91 -0.205 -9.148 6.270 1.00 0.00 O ATOM 0 H GLY A 91 2.585 -7.801 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.607 -10.103 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.272 -9.965 8.679 1.00 0.00 H new ATOM 1394 N ALA A 92 0.854 -11.118 6.027 1.00 0.00 N ATOM 1395 CA ALA A 92 0.069 -11.588 4.895 1.00 0.00 C ATOM 1396 C ALA A 92 -1.329 -12.048 5.317 1.00 0.00 C ATOM 1397 O ALA A 92 -1.667 -13.221 5.173 1.00 0.00 O ATOM 1398 CB ALA A 92 0.841 -12.720 4.208 1.00 0.00 C ATOM 0 H ALA A 92 1.557 -11.789 6.337 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.081 -10.763 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.268 -13.086 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.805 -12.346 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.999 -13.534 4.915 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.153 -11.130 5.824 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.535 -11.456 6.159 1.00 0.00 C ATOM 1406 C VAL A 93 -4.340 -11.447 4.847 1.00 0.00 C ATOM 1407 O VAL A 93 -3.963 -10.727 3.921 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.097 -10.471 7.199 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.248 -10.483 8.478 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.207 -9.038 6.673 1.00 0.00 C ATOM 0 H VAL A 93 -1.888 -10.163 6.010 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.602 -12.442 6.619 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.107 -10.815 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.665 -9.779 9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.251 -11.485 8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.225 -10.194 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.610 -8.394 7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.219 -8.681 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.870 -9.018 5.808 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.421 -12.236 4.712 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.204 -12.259 3.484 1.00 0.00 C ATOM 1422 C PRO A 94 -6.734 -10.872 3.113 1.00 0.00 C ATOM 1423 O PRO A 94 -7.055 -10.070 3.993 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.361 -13.227 3.730 1.00 0.00 C ATOM 1425 CG PRO A 94 -6.844 -14.134 4.846 1.00 0.00 C ATOM 1426 CD PRO A 94 -5.905 -13.236 5.652 1.00 0.00 C ATOM 0 HA PRO A 94 -5.582 -12.576 2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.267 -12.700 4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.605 -13.796 2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.660 -14.513 5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.319 -15.001 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.429 -12.769 6.486 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.080 -13.810 6.074 1.00 0.00 H new ATOM 1434 N LYS A 95 -6.885 -10.622 1.810 1.00 0.00 N ATOM 1435 CA LYS A 95 -7.359 -9.350 1.277 1.00 0.00 C ATOM 1436 C LYS A 95 -8.672 -8.954 1.942 1.00 0.00 C ATOM 1437 O LYS A 95 -8.844 -7.810 2.344 1.00 0.00 O ATOM 1438 CB LYS A 95 -7.523 -9.449 -0.243 1.00 0.00 C ATOM 1439 CG LYS A 95 -8.110 -8.175 -0.876 1.00 0.00 C ATOM 1440 CD LYS A 95 -7.402 -6.843 -0.550 1.00 0.00 C ATOM 1441 CE LYS A 95 -6.035 -6.620 -1.214 1.00 0.00 C ATOM 1442 NZ LYS A 95 -4.964 -7.434 -0.612 1.00 0.00 N ATOM 0 H LYS A 95 -6.677 -11.311 1.087 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.623 -8.576 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -6.552 -9.656 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.170 -10.294 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.110 -8.303 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.151 -8.091 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.061 -6.025 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.272 -6.780 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.110 -6.855 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.768 -5.566 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.048 -6.964 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.140 -7.541 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.947 -8.372 -1.060 1.00 0.00 H new ATOM 1456 N ALA A 96 -9.601 -9.902 2.059 1.00 0.00 N ATOM 1457 CA ALA A 96 -10.887 -9.686 2.722 1.00 0.00 C ATOM 1458 C ALA A 96 -10.714 -8.954 4.064 1.00 0.00 C ATOM 1459 O ALA A 96 -11.472 -8.037 4.386 1.00 0.00 O ATOM 1460 CB ALA A 96 -11.573 -11.037 2.937 1.00 0.00 C ATOM 0 H ALA A 96 -9.482 -10.847 1.694 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.506 -9.054 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.532 -10.883 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.734 -11.521 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.942 -11.671 3.560 1.00 0.00 H new ATOM 1466 N THR A 97 -9.718 -9.364 4.854 1.00 0.00 N ATOM 1467 CA THR A 97 -9.399 -8.762 6.140 1.00 0.00 C ATOM 1468 C THR A 97 -8.999 -7.302 5.919 1.00 0.00 C ATOM 1469 O THR A 97 -9.531 -6.392 6.557 1.00 0.00 O ATOM 1470 CB THR A 97 -8.252 -9.551 6.807 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.212 -10.875 6.313 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.425 -9.607 8.324 1.00 0.00 C ATOM 0 H THR A 97 -9.102 -10.139 4.608 1.00 0.00 H new ATOM 0 HA THR A 97 -10.267 -8.795 6.799 1.00 0.00 H new ATOM 0 HB THR A 97 -7.323 -9.033 6.570 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.672 -10.903 5.496 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.601 -10.169 8.764 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.429 -8.594 8.727 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.368 -10.097 8.565 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.055 -7.092 4.996 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.543 -5.776 4.646 1.00 0.00 C ATOM 1482 C ILE A 98 -8.697 -4.868 4.223 1.00 0.00 C ATOM 1483 O ILE A 98 -8.825 -3.786 4.778 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.448 -5.920 3.570 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.163 -6.459 4.224 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.138 -4.588 2.872 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.467 -7.491 3.336 1.00 0.00 C ATOM 0 H ILE A 98 -7.622 -7.848 4.466 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.076 -5.301 5.509 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.818 -6.612 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.482 -5.632 4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.406 -6.911 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.361 -4.742 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.039 -4.213 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.793 -3.863 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.564 -7.848 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.139 -8.330 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.201 -7.031 2.384 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.546 -5.287 3.281 1.00 0.00 N ATOM 1500 CA VAL A 99 -10.676 -4.493 2.807 1.00 0.00 C ATOM 1501 C VAL A 99 -11.498 -3.980 3.992 1.00 0.00 C ATOM 1502 O VAL A 99 -11.670 -2.772 4.148 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.533 -5.333 1.842 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -12.854 -4.633 1.501 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -10.769 -5.570 0.537 1.00 0.00 C ATOM 0 H VAL A 99 -9.465 -6.195 2.824 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.307 -3.624 2.263 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.749 -6.277 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.431 -5.257 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.426 -4.470 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.646 -3.673 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.382 -6.165 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.539 -4.612 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.842 -6.102 0.750 1.00 0.00 H new ATOM 1515 N GLN A 100 -11.988 -4.893 4.835 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.786 -4.522 5.998 1.00 0.00 C ATOM 1517 C GLN A 100 -12.020 -3.524 6.871 1.00 0.00 C ATOM 1518 O GLN A 100 -12.549 -2.475 7.243 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.136 -5.788 6.786 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.169 -6.628 6.026 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.301 -8.016 6.637 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -15.242 -8.303 7.368 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -13.347 -8.891 6.338 1.00 0.00 N ATOM 0 H GLN A 100 -11.843 -5.897 4.730 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.708 -4.039 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.235 -6.377 6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.530 -5.516 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.136 -6.125 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.874 -6.714 4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.578 -8.618 5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.384 -9.836 6.720 1.00 0.00 H new ATOM 1532 N THR A 101 -10.763 -3.845 7.179 1.00 0.00 N ATOM 1533 CA THR A 101 -9.919 -2.993 8.004 1.00 0.00 C ATOM 1534 C THR A 101 -9.797 -1.591 7.390 1.00 0.00 C ATOM 1535 O THR A 101 -9.934 -0.601 8.096 1.00 0.00 O ATOM 1536 CB THR A 101 -8.551 -3.664 8.197 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.725 -4.951 8.753 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.667 -2.861 9.152 1.00 0.00 C ATOM 0 H THR A 101 -10.306 -4.701 6.863 1.00 0.00 H new ATOM 0 HA THR A 101 -10.375 -2.866 8.986 1.00 0.00 H new ATOM 0 HB THR A 101 -8.073 -3.720 7.219 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.943 -5.588 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.706 -3.363 9.267 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.508 -1.861 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.156 -2.786 10.123 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.550 -1.473 6.086 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.439 -0.178 5.428 1.00 0.00 C ATOM 1548 C VAL A 102 -10.763 0.567 5.557 1.00 0.00 C ATOM 1549 O VAL A 102 -10.776 1.714 5.992 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.084 -0.361 3.948 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.129 0.961 3.168 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -7.704 -0.990 3.731 1.00 0.00 C ATOM 0 H VAL A 102 -9.422 -2.269 5.462 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.647 0.399 5.905 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.848 -1.041 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -8.870 0.777 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.133 1.382 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.416 1.663 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.515 -1.092 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.940 -0.353 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.675 -1.973 4.200 1.00 0.00 H new ATOM 1562 N GLU A 103 -11.861 -0.086 5.167 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.208 0.472 5.180 1.00 0.00 C ATOM 1564 C GLU A 103 -13.580 1.018 6.556 1.00 0.00 C ATOM 1565 O GLU A 103 -14.244 2.043 6.661 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.193 -0.609 4.734 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.077 -0.838 3.222 1.00 0.00 C ATOM 1568 CD GLU A 103 -14.978 -1.964 2.723 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.249 -2.889 3.519 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.368 -1.885 1.537 1.00 0.00 O ATOM 0 H GLU A 103 -11.832 -1.046 4.824 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.249 1.314 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.991 -1.538 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.211 -0.311 4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.332 0.084 2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.042 -1.070 2.973 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.164 0.327 7.613 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.359 0.794 8.981 1.00 0.00 C ATOM 1579 C LYS A 104 -12.779 2.207 9.166 1.00 0.00 C ATOM 1580 O LYS A 104 -13.294 2.989 9.963 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.651 -0.189 9.924 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.777 0.143 11.413 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.753 -0.709 12.173 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.932 -0.610 13.691 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.747 0.768 14.178 1.00 0.00 N ATOM 0 H LYS A 104 -12.683 -0.570 7.545 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.425 0.840 9.204 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.054 -1.187 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.593 -0.223 9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.593 1.204 11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.786 -0.067 11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.848 -1.750 11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.746 -0.388 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.928 -0.960 13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.217 -1.268 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.539 0.751 15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.956 1.212 13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.616 1.315 14.011 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.687 2.511 8.459 1.00 0.00 N ATOM 1600 CA TYR A 105 -10.921 3.739 8.582 1.00 0.00 C ATOM 1601 C TYR A 105 -11.145 4.710 7.413 1.00 0.00 C ATOM 1602 O TYR A 105 -11.834 5.715 7.570 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.444 3.330 8.670 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.071 2.354 9.769 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.446 2.621 11.095 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -8.234 1.256 9.486 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.910 1.861 12.147 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -7.749 0.457 10.537 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.065 0.774 11.867 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.380 0.175 12.878 1.00 0.00 O ATOM 0 H TYR A 105 -11.303 1.877 7.758 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.247 4.280 9.471 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.155 2.893 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.848 4.233 8.801 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.149 3.413 11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.966 1.029 8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -9.147 2.112 13.170 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.132 -0.402 10.320 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.647 0.758 13.166 1.00 0.00 H new ATOM 1620 N LEU A 106 -10.522 4.427 6.260 1.00 0.00 N ATOM 1621 CA LEU A 106 -10.465 5.193 5.015 1.00 0.00 C ATOM 1622 C LEU A 106 -9.674 6.491 5.193 1.00 0.00 C ATOM 1623 O LEU A 106 -8.700 6.723 4.481 1.00 0.00 O ATOM 1624 CB LEU A 106 -11.866 5.473 4.460 1.00 0.00 C ATOM 1625 CG LEU A 106 -12.608 4.175 4.122 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -14.031 4.271 4.665 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -12.603 3.913 2.611 1.00 0.00 C ATOM 0 H LEU A 106 -9.990 3.561 6.172 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.938 4.580 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.441 6.042 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -11.787 6.091 3.566 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.100 3.331 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -14.572 3.354 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.999 4.409 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.539 5.119 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -13.136 2.986 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.094 4.739 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.575 3.828 2.260 1.00 0.00 H new ATOM 1639 N ASN A 107 -10.132 7.334 6.114 1.00 0.00 N ATOM 1640 CA ASN A 107 -9.541 8.618 6.453 1.00 0.00 C ATOM 1641 C ASN A 107 -8.425 8.387 7.465 1.00 0.00 C ATOM 1642 O ASN A 107 -8.752 8.243 8.665 1.00 0.00 O ATOM 1643 CB ASN A 107 -10.633 9.538 7.020 1.00 0.00 C ATOM 1644 CG ASN A 107 -10.083 10.857 7.564 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -10.290 11.915 6.977 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -9.409 10.817 8.708 1.00 0.00 N ATOM 1647 OXT ASN A 107 -7.250 8.381 7.049 1.00 0.00 O ATOM 0 H ASN A 107 -10.963 7.128 6.668 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.117 9.099 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.363 9.750 6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.162 9.016 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.050 11.679 9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.251 9.924 9.176 1.00 0.00 H new TER 1654 ASN A 107