USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 938 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 121 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-7.9!) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 155:sc= -0.938 (180deg=-1.13) USER MOD Set 2.2: A 92 SER OG : rot 170:sc= 0.11 USER MOD Set 3.1: A 13 SER OG : rot -71:sc= 0.2 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= -0.129 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -100:sc= -13.4! USER MOD Single : A 31 THR OG1 : rot -180:sc= 0.991 USER MOD Single : A 32 THR OG1 : rot -23:sc= -6.88! USER MOD Single : A 35 ASN : amide:sc= -0.388 K(o=-0.39,f=-4!) USER MOD Single : A 37 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.23) USER MOD Single : A 45 SER OG : rot 180:sc= 0.101 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -120:sc= -12.2! USER MOD Single : A 53 SER OG : rot 64:sc= 0.318 USER MOD Single : A 57 MET CE :methyl -109:sc= -0.379 (180deg=-1.6!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.05! C(o=-4.1!,f=-16!) USER MOD Single : A 71 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.078) USER MOD Single : A 73 HIS : no HE2:sc= -14.9! C(o=-15!,f=-16!) USER MOD Single : A 75 MET CE :methyl 166:sc= -1.79 (180deg=-2.24) USER MOD Single : A 81 MET CE :methyl 170:sc= -4.97! (180deg=-5.35!) USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.0239 USER MOD Single : A 84 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 85 SER OG : rot 17:sc= -0.207 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.212 X(o=0.21,f=-0.026) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 101 TYR OH : rot -23:sc= -6.29! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -9.597 -14.757 -10.969 1.00 0.00 N ATOM 38 CA ARG A 3 -9.645 -13.294 -10.687 1.00 0.00 C ATOM 39 C ARG A 3 -8.265 -12.815 -10.231 1.00 0.00 C ATOM 40 O ARG A 3 -7.548 -13.517 -9.547 1.00 0.00 O ATOM 41 CB ARG A 3 -10.669 -13.016 -9.585 1.00 0.00 C ATOM 42 CG ARG A 3 -12.004 -13.670 -9.946 1.00 0.00 C ATOM 43 CD ARG A 3 -13.149 -12.885 -9.299 1.00 0.00 C ATOM 44 NE ARG A 3 -14.016 -13.821 -8.529 1.00 0.00 N ATOM 45 CZ ARG A 3 -15.268 -13.522 -8.311 1.00 0.00 C ATOM 46 NH1 ARG A 3 -16.036 -13.164 -9.303 1.00 0.00 N ATOM 47 NH2 ARG A 3 -15.752 -13.586 -7.101 1.00 0.00 N ATOM 0 HA ARG A 3 -9.934 -12.762 -11.593 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.308 -13.405 -8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.801 -11.941 -9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.130 -13.691 -11.029 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.019 -14.705 -9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.750 -12.115 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.734 -12.376 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.631 -14.696 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.658 -13.118 -10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.014 -12.931 -9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.152 -13.869 -6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.730 -13.353 -6.930 1.00 0.00 H new ATOM 61 N GLY A 4 -7.890 -11.621 -10.604 1.00 0.00 N ATOM 62 CA GLY A 4 -6.557 -11.093 -10.195 1.00 0.00 C ATOM 63 C GLY A 4 -6.725 -10.077 -9.062 1.00 0.00 C ATOM 64 O GLY A 4 -7.693 -9.344 -9.006 1.00 0.00 O ATOM 0 H GLY A 4 -8.450 -10.988 -11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.916 -11.912 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.065 -10.623 -11.047 1.00 0.00 H new ATOM 68 N ILE A 5 -5.786 -10.037 -8.155 1.00 0.00 N ATOM 69 CA ILE A 5 -5.878 -9.075 -7.010 1.00 0.00 C ATOM 70 C ILE A 5 -5.011 -7.836 -7.280 1.00 0.00 C ATOM 71 O ILE A 5 -3.819 -7.822 -7.011 1.00 0.00 O ATOM 72 CB ILE A 5 -5.406 -9.740 -5.705 1.00 0.00 C ATOM 73 CG1 ILE A 5 -4.655 -11.043 -5.996 1.00 0.00 C ATOM 74 CG2 ILE A 5 -6.613 -10.052 -4.819 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.637 -12.101 -6.498 1.00 0.00 C ATOM 0 H ILE A 5 -4.956 -10.629 -8.155 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.921 -8.776 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.734 -9.049 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.880 -10.869 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.155 -11.395 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.275 -10.523 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.140 -9.127 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.286 -10.729 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.100 -13.027 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.396 -12.283 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.116 -11.748 -7.411 1.00 0.00 H new ATOM 87 N VAL A 6 -5.599 -6.785 -7.790 1.00 0.00 N ATOM 88 CA VAL A 6 -4.805 -5.551 -8.057 1.00 0.00 C ATOM 89 C VAL A 6 -4.869 -4.650 -6.817 1.00 0.00 C ATOM 90 O VAL A 6 -5.917 -4.149 -6.455 1.00 0.00 O ATOM 91 CB VAL A 6 -5.371 -4.839 -9.307 1.00 0.00 C ATOM 92 CG1 VAL A 6 -6.182 -3.593 -8.925 1.00 0.00 C ATOM 93 CG2 VAL A 6 -4.212 -4.422 -10.213 1.00 0.00 C ATOM 0 H VAL A 6 -6.588 -6.728 -8.032 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.762 -5.796 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.034 -5.533 -9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.565 -3.117 -9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.016 -3.883 -8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.542 -2.892 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.604 -3.919 -11.097 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.553 -3.743 -9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.652 -5.306 -10.517 1.00 0.00 H new ATOM 103 N TRP A 7 -3.769 -4.462 -6.146 1.00 0.00 N ATOM 104 CA TRP A 7 -3.789 -3.618 -4.925 1.00 0.00 C ATOM 105 C TRP A 7 -3.202 -2.240 -5.234 1.00 0.00 C ATOM 106 O TRP A 7 -2.002 -2.055 -5.263 1.00 0.00 O ATOM 107 CB TRP A 7 -2.978 -4.309 -3.828 1.00 0.00 C ATOM 108 CG TRP A 7 -3.749 -5.497 -3.363 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.294 -6.425 -4.179 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.087 -5.897 -2.004 1.00 0.00 C ATOM 111 NE1 TRP A 7 -4.946 -7.367 -3.410 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.849 -7.088 -2.066 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.813 -5.350 -0.738 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.325 -7.714 -0.919 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.293 -5.982 0.424 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.048 -7.162 0.329 1.00 0.00 C ATOM 0 H TRP A 7 -2.860 -4.856 -6.390 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.816 -3.486 -4.585 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.003 -4.613 -4.209 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.797 -3.624 -2.999 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.230 -6.429 -5.257 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.440 -8.173 -3.792 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.233 -4.443 -0.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.905 -8.622 -0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.080 -5.557 1.394 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.414 -7.642 1.225 1.00 0.00 H new ATOM 127 N VAL A 8 -4.047 -1.272 -5.466 1.00 0.00 N ATOM 128 CA VAL A 8 -3.554 0.099 -5.776 1.00 0.00 C ATOM 129 C VAL A 8 -3.294 0.853 -4.469 1.00 0.00 C ATOM 130 O VAL A 8 -3.698 0.429 -3.404 1.00 0.00 O ATOM 131 CB VAL A 8 -4.614 0.836 -6.606 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.365 2.346 -6.557 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.538 0.361 -8.058 1.00 0.00 C ATOM 0 H VAL A 8 -5.062 -1.373 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.625 0.042 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.601 0.622 -6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.123 2.859 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.417 2.690 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.377 2.565 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.289 0.882 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.547 0.574 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.723 -0.712 -8.100 1.00 0.00 H new ATOM 143 N VAL A 9 -2.620 1.968 -4.545 1.00 0.00 N ATOM 144 CA VAL A 9 -2.331 2.747 -3.308 1.00 0.00 C ATOM 145 C VAL A 9 -2.667 4.220 -3.534 1.00 0.00 C ATOM 146 O VAL A 9 -2.031 4.900 -4.317 1.00 0.00 O ATOM 147 CB VAL A 9 -0.849 2.619 -2.959 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.551 3.452 -1.711 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.515 1.151 -2.690 1.00 0.00 C ATOM 0 H VAL A 9 -2.258 2.372 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.937 2.357 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.243 2.980 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.506 3.364 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.791 4.497 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.155 3.090 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.542 1.058 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.117 0.787 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.731 0.560 -3.580 1.00 0.00 H new ATOM 159 N ASP A 10 -3.657 4.720 -2.848 1.00 0.00 N ATOM 160 CA ASP A 10 -4.035 6.150 -3.014 1.00 0.00 C ATOM 161 C ASP A 10 -5.251 6.461 -2.140 1.00 0.00 C ATOM 162 O ASP A 10 -5.160 7.226 -1.203 1.00 0.00 O ATOM 163 CB ASP A 10 -4.372 6.423 -4.478 1.00 0.00 C ATOM 164 CG ASP A 10 -4.209 7.918 -4.764 1.00 0.00 C ATOM 165 OD1 ASP A 10 -4.986 8.691 -4.230 1.00 0.00 O ATOM 166 OD2 ASP A 10 -3.307 8.264 -5.508 1.00 0.00 O ATOM 0 H ASP A 10 -4.222 4.198 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.201 6.783 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.717 5.843 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.394 6.109 -4.693 1.00 0.00 H new ATOM 171 N ASP A 11 -6.376 5.858 -2.457 1.00 0.00 N ATOM 172 CA ASP A 11 -7.647 6.071 -1.677 1.00 0.00 C ATOM 173 C ASP A 11 -7.568 7.329 -0.810 1.00 0.00 C ATOM 174 O ASP A 11 -7.770 7.282 0.387 1.00 0.00 O ATOM 175 CB ASP A 11 -7.904 4.853 -0.784 1.00 0.00 C ATOM 176 CG ASP A 11 -9.355 4.871 -0.299 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.224 5.172 -1.101 1.00 0.00 O ATOM 178 OD2 ASP A 11 -9.572 4.582 0.866 1.00 0.00 O ATOM 0 H ASP A 11 -6.470 5.212 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.464 6.199 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.706 3.935 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.225 4.864 0.068 1.00 0.00 H new ATOM 183 N ASP A 12 -7.275 8.455 -1.402 1.00 0.00 N ATOM 184 CA ASP A 12 -7.188 9.710 -0.605 1.00 0.00 C ATOM 185 C ASP A 12 -8.318 10.649 -1.008 1.00 0.00 C ATOM 186 O ASP A 12 -8.096 11.803 -1.317 1.00 0.00 O ATOM 187 CB ASP A 12 -5.840 10.389 -0.855 1.00 0.00 C ATOM 188 CG ASP A 12 -4.920 10.155 0.345 1.00 0.00 C ATOM 189 OD1 ASP A 12 -4.748 9.007 0.719 1.00 0.00 O ATOM 190 OD2 ASP A 12 -4.404 11.128 0.869 1.00 0.00 O ATOM 0 H ASP A 12 -7.093 8.559 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.277 9.471 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.383 9.990 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.983 11.458 -1.014 1.00 0.00 H new ATOM 195 N SER A 13 -9.525 10.146 -0.987 1.00 0.00 N ATOM 196 CA SER A 13 -10.730 10.961 -1.351 1.00 0.00 C ATOM 197 C SER A 13 -11.738 10.069 -2.081 1.00 0.00 C ATOM 198 O SER A 13 -12.924 10.115 -1.821 1.00 0.00 O ATOM 199 CB SER A 13 -10.347 12.122 -2.272 1.00 0.00 C ATOM 200 OG SER A 13 -11.525 12.665 -2.857 1.00 0.00 O ATOM 0 H SER A 13 -9.734 9.182 -0.727 1.00 0.00 H new ATOM 0 HA SER A 13 -11.163 11.364 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.820 12.891 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.667 11.775 -3.050 1.00 0.00 H new ATOM 0 HG SER A 13 -11.882 12.036 -3.518 1.00 0.00 H new ATOM 206 N SER A 14 -11.275 9.263 -2.998 1.00 0.00 N ATOM 207 CA SER A 14 -12.209 8.377 -3.749 1.00 0.00 C ATOM 208 C SER A 14 -11.428 7.569 -4.790 1.00 0.00 C ATOM 209 O SER A 14 -11.861 7.410 -5.914 1.00 0.00 O ATOM 210 CB SER A 14 -13.257 9.236 -4.458 1.00 0.00 C ATOM 211 OG SER A 14 -12.805 10.585 -4.502 1.00 0.00 O ATOM 0 H SER A 14 -10.292 9.180 -3.259 1.00 0.00 H new ATOM 0 HA SER A 14 -12.699 7.694 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.427 8.864 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.210 9.176 -3.932 1.00 0.00 H new ATOM 0 HG SER A 14 -13.473 11.139 -4.957 1.00 0.00 H new ATOM 217 N ILE A 15 -10.283 7.051 -4.427 1.00 0.00 N ATOM 218 CA ILE A 15 -9.491 6.252 -5.406 1.00 0.00 C ATOM 219 C ILE A 15 -9.916 4.786 -5.311 1.00 0.00 C ATOM 220 O ILE A 15 -10.070 4.107 -6.308 1.00 0.00 O ATOM 221 CB ILE A 15 -7.992 6.384 -5.103 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.522 7.789 -5.491 1.00 0.00 C ATOM 223 CG2 ILE A 15 -7.216 5.348 -5.918 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.092 8.811 -4.504 1.00 0.00 C ATOM 0 H ILE A 15 -9.865 7.146 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.675 6.623 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.817 6.217 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.433 7.833 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.847 8.026 -6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.151 5.440 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.554 4.347 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.389 5.518 -6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.757 9.811 -4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.181 8.773 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.744 8.578 -3.498 1.00 0.00 H new ATOM 236 N ARG A 16 -10.134 4.300 -4.121 1.00 0.00 N ATOM 237 CA ARG A 16 -10.579 2.889 -3.966 1.00 0.00 C ATOM 238 C ARG A 16 -11.918 2.744 -4.682 1.00 0.00 C ATOM 239 O ARG A 16 -12.176 1.773 -5.371 1.00 0.00 O ATOM 240 CB ARG A 16 -10.758 2.571 -2.478 1.00 0.00 C ATOM 241 CG ARG A 16 -11.487 1.235 -2.322 1.00 0.00 C ATOM 242 CD ARG A 16 -11.383 0.764 -0.871 1.00 0.00 C ATOM 243 NE ARG A 16 -12.483 1.373 -0.073 1.00 0.00 N ATOM 244 CZ ARG A 16 -12.683 0.993 1.158 1.00 0.00 C ATOM 245 NH1 ARG A 16 -11.671 0.846 1.968 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.896 0.763 1.579 1.00 0.00 N ATOM 0 H ARG A 16 -10.023 4.819 -3.250 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.842 2.205 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.786 2.526 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.325 3.365 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.534 1.344 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.052 0.491 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.444 -0.323 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.417 1.047 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.080 2.087 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.723 1.028 1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.828 0.549 2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.687 0.880 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.054 0.466 2.542 1.00 0.00 H new ATOM 260 N TRP A 17 -12.765 3.726 -4.527 1.00 0.00 N ATOM 261 CA TRP A 17 -14.094 3.696 -5.190 1.00 0.00 C ATOM 262 C TRP A 17 -13.904 3.688 -6.705 1.00 0.00 C ATOM 263 O TRP A 17 -14.291 2.759 -7.376 1.00 0.00 O ATOM 264 CB TRP A 17 -14.884 4.945 -4.788 1.00 0.00 C ATOM 265 CG TRP A 17 -16.284 4.845 -5.306 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.284 4.153 -4.714 1.00 0.00 C ATOM 267 CD2 TRP A 17 -16.857 5.447 -6.504 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.433 4.289 -5.473 1.00 0.00 N ATOM 269 CE2 TRP A 17 -18.221 5.079 -6.586 1.00 0.00 C ATOM 270 CE3 TRP A 17 -16.331 6.269 -7.518 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.033 5.510 -7.636 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -17.146 6.705 -8.577 1.00 0.00 C ATOM 273 CH2 TRP A 17 -18.495 6.327 -8.634 1.00 0.00 C ATOM 0 H TRP A 17 -12.587 4.556 -3.962 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.636 2.801 -4.885 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -14.894 5.047 -3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -14.401 5.837 -5.188 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.200 3.587 -3.798 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.328 3.858 -5.239 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -15.294 6.567 -7.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.071 5.214 -7.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -16.731 7.334 -9.351 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -19.118 6.667 -9.448 1.00 0.00 H new ATOM 284 N VAL A 18 -13.339 4.734 -7.248 1.00 0.00 N ATOM 285 CA VAL A 18 -13.147 4.810 -8.727 1.00 0.00 C ATOM 286 C VAL A 18 -12.768 3.434 -9.292 1.00 0.00 C ATOM 287 O VAL A 18 -13.496 2.835 -10.064 1.00 0.00 O ATOM 288 CB VAL A 18 -12.019 5.802 -9.022 1.00 0.00 C ATOM 289 CG1 VAL A 18 -11.577 5.666 -10.482 1.00 0.00 C ATOM 290 CG2 VAL A 18 -12.522 7.227 -8.777 1.00 0.00 C ATOM 0 H VAL A 18 -13.000 5.544 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.077 5.135 -9.194 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.173 5.591 -8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.774 6.374 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.221 4.652 -10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.421 5.875 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.721 7.936 -8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.369 7.432 -9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.835 7.329 -7.738 1.00 0.00 H new ATOM 300 N LEU A 19 -11.617 2.942 -8.922 1.00 0.00 N ATOM 301 CA LEU A 19 -11.155 1.622 -9.438 1.00 0.00 C ATOM 302 C LEU A 19 -12.179 0.529 -9.127 1.00 0.00 C ATOM 303 O LEU A 19 -12.890 0.078 -9.999 1.00 0.00 O ATOM 304 CB LEU A 19 -9.822 1.261 -8.783 1.00 0.00 C ATOM 305 CG LEU A 19 -8.678 1.918 -9.553 1.00 0.00 C ATOM 306 CD1 LEU A 19 -7.407 1.885 -8.702 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.440 1.153 -10.856 1.00 0.00 C ATOM 0 H LEU A 19 -10.972 3.402 -8.279 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.036 1.694 -10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.813 1.594 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.692 0.179 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.936 2.952 -9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.590 2.354 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.578 2.427 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.147 0.851 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.624 1.619 -11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.180 0.119 -10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.346 1.174 -11.461 1.00 0.00 H new ATOM 319 N GLU A 20 -12.222 0.081 -7.900 1.00 0.00 N ATOM 320 CA GLU A 20 -13.163 -1.017 -7.510 1.00 0.00 C ATOM 321 C GLU A 20 -14.478 -0.922 -8.288 1.00 0.00 C ATOM 322 O GLU A 20 -15.122 -1.915 -8.554 1.00 0.00 O ATOM 323 CB GLU A 20 -13.459 -0.911 -6.012 1.00 0.00 C ATOM 324 CG GLU A 20 -14.202 -2.167 -5.550 1.00 0.00 C ATOM 325 CD GLU A 20 -15.696 -2.005 -5.835 1.00 0.00 C ATOM 326 OE1 GLU A 20 -16.188 -0.897 -5.698 1.00 0.00 O ATOM 327 OE2 GLU A 20 -16.322 -2.992 -6.186 1.00 0.00 O ATOM 0 H GLU A 20 -11.639 0.432 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.694 -1.973 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.530 -0.799 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.061 -0.025 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.814 -3.044 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.039 -2.329 -4.484 1.00 0.00 H new ATOM 334 N ARG A 21 -14.884 0.258 -8.658 1.00 0.00 N ATOM 335 CA ARG A 21 -16.152 0.399 -9.421 1.00 0.00 C ATOM 336 C ARG A 21 -15.960 -0.216 -10.804 1.00 0.00 C ATOM 337 O ARG A 21 -16.676 -1.113 -11.203 1.00 0.00 O ATOM 338 CB ARG A 21 -16.506 1.880 -9.565 1.00 0.00 C ATOM 339 CG ARG A 21 -17.794 2.019 -10.379 1.00 0.00 C ATOM 340 CD ARG A 21 -19.001 1.780 -9.471 1.00 0.00 C ATOM 341 NE ARG A 21 -20.019 2.841 -9.710 1.00 0.00 N ATOM 342 CZ ARG A 21 -21.266 2.633 -9.386 1.00 0.00 C ATOM 343 NH1 ARG A 21 -21.673 2.864 -8.168 1.00 0.00 N ATOM 344 NH2 ARG A 21 -22.110 2.195 -10.282 1.00 0.00 N ATOM 0 H ARG A 21 -14.393 1.131 -8.465 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.960 -0.109 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.634 2.332 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.693 2.413 -10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -17.851 3.013 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.796 1.303 -11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.430 0.798 -9.669 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.691 1.787 -8.426 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.742 3.730 -10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -21.016 3.208 -7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -22.648 2.701 -7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.794 2.015 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -23.085 2.033 -10.028 1.00 0.00 H new ATOM 358 N ALA A 22 -14.984 0.250 -11.533 1.00 0.00 N ATOM 359 CA ALA A 22 -14.733 -0.319 -12.886 1.00 0.00 C ATOM 360 C ALA A 22 -14.153 -1.727 -12.735 1.00 0.00 C ATOM 361 O ALA A 22 -14.006 -2.458 -13.694 1.00 0.00 O ATOM 362 CB ALA A 22 -13.736 0.569 -13.631 1.00 0.00 C ATOM 0 H ALA A 22 -14.351 0.998 -11.251 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.666 -0.365 -13.448 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.550 0.155 -14.622 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.146 1.574 -13.729 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.800 0.612 -13.074 1.00 0.00 H new ATOM 368 N LEU A 23 -13.819 -2.110 -11.532 1.00 0.00 N ATOM 369 CA LEU A 23 -13.245 -3.460 -11.300 1.00 0.00 C ATOM 370 C LEU A 23 -14.354 -4.419 -10.867 1.00 0.00 C ATOM 371 O LEU A 23 -14.197 -5.625 -10.904 1.00 0.00 O ATOM 372 CB LEU A 23 -12.192 -3.359 -10.197 1.00 0.00 C ATOM 373 CG LEU A 23 -10.855 -2.963 -10.820 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.721 -1.440 -10.813 1.00 0.00 C ATOM 375 CD2 LEU A 23 -9.712 -3.578 -10.015 1.00 0.00 C ATOM 0 H LEU A 23 -13.922 -1.537 -10.694 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.789 -3.835 -12.216 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.495 -2.621 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.098 -4.313 -9.678 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.812 -3.328 -11.846 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.767 -1.157 -11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.535 -1.000 -11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.766 -1.076 -9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.759 -3.294 -10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.754 -3.215 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.806 -4.664 -10.021 1.00 0.00 H new ATOM 387 N ALA A 24 -15.474 -3.892 -10.451 1.00 0.00 N ATOM 388 CA ALA A 24 -16.595 -4.769 -10.010 1.00 0.00 C ATOM 389 C ALA A 24 -17.245 -5.415 -11.234 1.00 0.00 C ATOM 390 O ALA A 24 -17.647 -6.561 -11.202 1.00 0.00 O ATOM 391 CB ALA A 24 -17.633 -3.928 -9.264 1.00 0.00 C ATOM 0 H ALA A 24 -15.661 -2.891 -10.398 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.213 -5.547 -9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.454 -4.567 -8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.169 -3.465 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.017 -3.152 -9.926 1.00 0.00 H new ATOM 397 N GLY A 25 -17.349 -4.689 -12.313 1.00 0.00 N ATOM 398 CA GLY A 25 -17.972 -5.266 -13.537 1.00 0.00 C ATOM 399 C GLY A 25 -17.015 -6.280 -14.165 1.00 0.00 C ATOM 400 O GLY A 25 -17.428 -7.293 -14.694 1.00 0.00 O ATOM 0 H GLY A 25 -17.030 -3.724 -12.400 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.916 -5.749 -13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.199 -4.474 -14.250 1.00 0.00 H new ATOM 404 N ALA A 26 -15.738 -6.017 -14.113 1.00 0.00 N ATOM 405 CA ALA A 26 -14.756 -6.968 -14.705 1.00 0.00 C ATOM 406 C ALA A 26 -14.702 -8.237 -13.853 1.00 0.00 C ATOM 407 O ALA A 26 -14.174 -9.251 -14.264 1.00 0.00 O ATOM 408 CB ALA A 26 -13.373 -6.314 -14.748 1.00 0.00 C ATOM 0 H ALA A 26 -15.332 -5.184 -13.686 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.062 -7.226 -15.719 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.655 -7.010 -15.181 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.416 -5.411 -15.357 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.062 -6.054 -13.736 1.00 0.00 H new ATOM 414 N GLY A 27 -15.250 -8.189 -12.669 1.00 0.00 N ATOM 415 CA GLY A 27 -15.239 -9.394 -11.792 1.00 0.00 C ATOM 416 C GLY A 27 -13.818 -9.664 -11.289 1.00 0.00 C ATOM 417 O GLY A 27 -13.275 -10.734 -11.484 1.00 0.00 O ATOM 0 H GLY A 27 -15.705 -7.367 -12.271 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.910 -9.244 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.609 -10.258 -12.344 1.00 0.00 H new ATOM 421 N LEU A 28 -13.211 -8.708 -10.638 1.00 0.00 N ATOM 422 CA LEU A 28 -11.829 -8.923 -10.123 1.00 0.00 C ATOM 423 C LEU A 28 -11.746 -8.502 -8.664 1.00 0.00 C ATOM 424 O LEU A 28 -12.715 -8.091 -8.056 1.00 0.00 O ATOM 425 CB LEU A 28 -10.833 -8.083 -10.920 1.00 0.00 C ATOM 426 CG LEU A 28 -9.604 -8.923 -11.263 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.836 -9.651 -12.588 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.384 -8.009 -11.393 1.00 0.00 C ATOM 0 H LEU A 28 -13.611 -7.791 -10.441 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.589 -9.981 -10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.301 -7.717 -11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.537 -7.208 -10.342 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.431 -9.653 -10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.959 -10.250 -12.832 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.706 -10.301 -12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.009 -8.921 -13.379 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.506 -8.607 -11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.558 -7.280 -12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.217 -7.489 -10.450 1.00 0.00 H new ATOM 440 N THR A 29 -10.579 -8.604 -8.109 1.00 0.00 N ATOM 441 CA THR A 29 -10.376 -8.212 -6.685 1.00 0.00 C ATOM 442 C THR A 29 -9.722 -6.833 -6.646 1.00 0.00 C ATOM 443 O THR A 29 -8.511 -6.707 -6.667 1.00 0.00 O ATOM 444 CB THR A 29 -9.463 -9.233 -5.998 1.00 0.00 C ATOM 445 OG1 THR A 29 -10.143 -10.476 -5.894 1.00 0.00 O ATOM 446 CG2 THR A 29 -9.088 -8.733 -4.598 1.00 0.00 C ATOM 0 H THR A 29 -9.743 -8.946 -8.583 1.00 0.00 H new ATOM 0 HA THR A 29 -11.334 -8.184 -6.166 1.00 0.00 H new ATOM 0 HB THR A 29 -8.555 -9.362 -6.587 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.561 -11.132 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.439 -9.462 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.566 -7.780 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.993 -8.601 -4.004 1.00 0.00 H new ATOM 454 N CYS A 30 -10.510 -5.795 -6.609 1.00 0.00 N ATOM 455 CA CYS A 30 -9.941 -4.425 -6.591 1.00 0.00 C ATOM 456 C CYS A 30 -9.582 -4.016 -5.166 1.00 0.00 C ATOM 457 O CYS A 30 -10.351 -3.369 -4.484 1.00 0.00 O ATOM 458 CB CYS A 30 -10.982 -3.455 -7.132 1.00 0.00 C ATOM 459 SG CYS A 30 -10.211 -1.843 -7.409 1.00 0.00 S ATOM 0 H CYS A 30 -11.529 -5.840 -6.590 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.040 -4.405 -7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -11.401 -3.835 -8.064 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.808 -3.360 -6.427 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.494 -1.051 -6.418 1.00 0.00 H new ATOM 465 N THR A 31 -8.412 -4.361 -4.718 1.00 0.00 N ATOM 466 CA THR A 31 -8.006 -3.960 -3.348 1.00 0.00 C ATOM 467 C THR A 31 -7.290 -2.614 -3.443 1.00 0.00 C ATOM 468 O THR A 31 -6.500 -2.394 -4.333 1.00 0.00 O ATOM 469 CB THR A 31 -7.058 -5.006 -2.762 1.00 0.00 C ATOM 470 OG1 THR A 31 -7.785 -6.191 -2.462 1.00 0.00 O ATOM 471 CG2 THR A 31 -6.422 -4.453 -1.486 1.00 0.00 C ATOM 0 H THR A 31 -7.721 -4.901 -5.239 1.00 0.00 H new ATOM 0 HA THR A 31 -8.881 -3.881 -2.702 1.00 0.00 H new ATOM 0 HB THR A 31 -6.276 -5.238 -3.485 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.177 -6.862 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.745 -5.196 -1.065 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.864 -3.546 -1.721 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.203 -4.221 -0.761 1.00 0.00 H new ATOM 479 N THR A 32 -7.559 -1.703 -2.554 1.00 0.00 N ATOM 480 CA THR A 32 -6.874 -0.385 -2.641 1.00 0.00 C ATOM 481 C THR A 32 -6.851 0.290 -1.273 1.00 0.00 C ATOM 482 O THR A 32 -7.836 0.322 -0.562 1.00 0.00 O ATOM 483 CB THR A 32 -7.607 0.517 -3.636 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.804 0.997 -3.042 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.945 -0.273 -4.901 1.00 0.00 C ATOM 0 H THR A 32 -8.215 -1.810 -1.780 1.00 0.00 H new ATOM 0 HA THR A 32 -5.850 -0.547 -2.979 1.00 0.00 H new ATOM 0 HB THR A 32 -6.966 1.358 -3.900 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.079 0.390 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.467 0.374 -5.606 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.026 -0.640 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.584 -1.118 -4.643 1.00 0.00 H new ATOM 493 N PHE A 33 -5.729 0.844 -0.908 1.00 0.00 N ATOM 494 CA PHE A 33 -5.624 1.538 0.402 1.00 0.00 C ATOM 495 C PHE A 33 -5.529 3.042 0.149 1.00 0.00 C ATOM 496 O PHE A 33 -5.713 3.502 -0.961 1.00 0.00 O ATOM 497 CB PHE A 33 -4.365 1.063 1.128 1.00 0.00 C ATOM 498 CG PHE A 33 -4.631 -0.270 1.787 1.00 0.00 C ATOM 499 CD1 PHE A 33 -4.716 -1.431 1.009 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.790 -0.344 3.175 1.00 0.00 C ATOM 501 CE1 PHE A 33 -4.963 -2.666 1.620 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.037 -1.580 3.787 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.123 -2.741 3.009 1.00 0.00 C ATOM 0 H PHE A 33 -4.875 0.845 -1.466 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.497 1.317 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.539 0.973 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.066 1.797 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.591 -1.374 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.722 0.552 3.775 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.030 -3.561 1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.161 -1.637 4.858 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.313 -3.694 3.480 1.00 0.00 H new ATOM 513 N GLU A 34 -5.240 3.815 1.156 1.00 0.00 N ATOM 514 CA GLU A 34 -5.135 5.286 0.946 1.00 0.00 C ATOM 515 C GLU A 34 -3.667 5.715 1.049 1.00 0.00 C ATOM 516 O GLU A 34 -3.330 6.858 0.814 1.00 0.00 O ATOM 517 CB GLU A 34 -5.961 6.017 2.013 1.00 0.00 C ATOM 518 CG GLU A 34 -5.205 6.019 3.345 1.00 0.00 C ATOM 519 CD GLU A 34 -6.158 5.628 4.476 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.289 4.442 4.729 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.738 6.521 5.071 1.00 0.00 O ATOM 0 H GLU A 34 -5.073 3.496 2.110 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.517 5.539 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.158 7.041 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.928 5.529 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.370 5.320 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.785 7.007 3.535 1.00 0.00 H new ATOM 528 N ASN A 35 -2.791 4.813 1.410 1.00 0.00 N ATOM 529 CA ASN A 35 -1.352 5.188 1.537 1.00 0.00 C ATOM 530 C ASN A 35 -0.459 3.988 1.200 1.00 0.00 C ATOM 531 O ASN A 35 -0.772 2.855 1.512 1.00 0.00 O ATOM 532 CB ASN A 35 -1.071 5.632 2.972 1.00 0.00 C ATOM 533 CG ASN A 35 -0.509 7.052 2.968 1.00 0.00 C ATOM 534 OD1 ASN A 35 -0.272 7.622 1.921 1.00 0.00 O ATOM 535 ND2 ASN A 35 -0.284 7.654 4.103 1.00 0.00 N ATOM 0 H ASN A 35 -3.008 3.839 1.621 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.136 6.001 0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.987 5.594 3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.362 4.951 3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.091 8.603 4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.483 7.176 4.982 1.00 0.00 H new ATOM 542 N GLY A 36 0.660 4.236 0.571 1.00 0.00 N ATOM 543 CA GLY A 36 1.587 3.123 0.215 1.00 0.00 C ATOM 544 C GLY A 36 2.038 2.405 1.487 1.00 0.00 C ATOM 545 O GLY A 36 2.094 1.194 1.540 1.00 0.00 O ATOM 0 H GLY A 36 0.972 5.165 0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.089 2.421 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.452 3.514 -0.320 1.00 0.00 H new ATOM 549 N ASN A 37 2.358 3.138 2.515 1.00 0.00 N ATOM 550 CA ASN A 37 2.797 2.486 3.778 1.00 0.00 C ATOM 551 C ASN A 37 1.793 1.393 4.145 1.00 0.00 C ATOM 552 O ASN A 37 2.033 0.223 3.923 1.00 0.00 O ATOM 553 CB ASN A 37 2.858 3.530 4.896 1.00 0.00 C ATOM 554 CG ASN A 37 2.980 2.831 6.252 1.00 0.00 C ATOM 555 OD1 ASN A 37 2.257 3.144 7.176 1.00 0.00 O ATOM 556 ND2 ASN A 37 3.872 1.891 6.412 1.00 0.00 N ATOM 0 H ASN A 37 2.335 4.158 2.535 1.00 0.00 H new ATOM 0 HA ASN A 37 3.786 2.047 3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.709 4.193 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.962 4.151 4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.961 1.420 7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.480 1.627 5.636 1.00 0.00 H new ATOM 563 N GLU A 38 0.679 1.771 4.718 1.00 0.00 N ATOM 564 CA GLU A 38 -0.355 0.768 5.120 1.00 0.00 C ATOM 565 C GLU A 38 -0.391 -0.394 4.120 1.00 0.00 C ATOM 566 O GLU A 38 -0.485 -1.545 4.497 1.00 0.00 O ATOM 567 CB GLU A 38 -1.727 1.447 5.142 1.00 0.00 C ATOM 568 CG GLU A 38 -1.739 2.547 6.206 1.00 0.00 C ATOM 569 CD GLU A 38 -3.073 3.295 6.150 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.097 2.651 6.303 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.047 4.499 5.954 1.00 0.00 O ATOM 0 H GLU A 38 0.439 2.740 4.927 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.106 0.380 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.949 1.872 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.504 0.713 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.594 2.113 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.914 3.239 6.038 1.00 0.00 H new ATOM 578 N VAL A 39 -0.323 -0.101 2.847 1.00 0.00 N ATOM 579 CA VAL A 39 -0.359 -1.183 1.830 1.00 0.00 C ATOM 580 C VAL A 39 0.743 -2.207 2.125 1.00 0.00 C ATOM 581 O VAL A 39 0.477 -3.383 2.279 1.00 0.00 O ATOM 582 CB VAL A 39 -0.158 -0.558 0.444 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.245 -1.632 -0.558 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.466 0.085 -0.014 1.00 0.00 C ATOM 0 H VAL A 39 -0.244 0.844 2.472 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.320 -1.697 1.859 1.00 0.00 H new ATOM 0 HB VAL A 39 0.628 0.195 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.386 -1.179 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.176 -2.098 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.538 -2.388 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.327 0.530 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.246 -0.674 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.759 0.858 0.696 1.00 0.00 H new ATOM 594 N LEU A 40 1.973 -1.778 2.219 1.00 0.00 N ATOM 595 CA LEU A 40 3.068 -2.745 2.518 1.00 0.00 C ATOM 596 C LEU A 40 2.867 -3.297 3.929 1.00 0.00 C ATOM 597 O LEU A 40 3.410 -4.324 4.289 1.00 0.00 O ATOM 598 CB LEU A 40 4.428 -2.043 2.433 1.00 0.00 C ATOM 599 CG LEU A 40 4.742 -1.675 0.979 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.368 -2.834 0.049 1.00 0.00 C ATOM 601 CD2 LEU A 40 3.945 -0.430 0.589 1.00 0.00 C ATOM 0 H LEU A 40 2.265 -0.808 2.103 1.00 0.00 H new ATOM 0 HA LEU A 40 3.045 -3.557 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.421 -1.145 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.207 -2.695 2.828 1.00 0.00 H new ATOM 0 HG LEU A 40 5.809 -1.475 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.595 -2.561 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.939 -3.720 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.303 -3.046 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.166 -0.166 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.879 -0.633 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.221 0.398 1.242 1.00 0.00 H new ATOM 613 N ALA A 41 2.084 -2.625 4.729 1.00 0.00 N ATOM 614 CA ALA A 41 1.839 -3.111 6.115 1.00 0.00 C ATOM 615 C ALA A 41 0.909 -4.323 6.059 1.00 0.00 C ATOM 616 O ALA A 41 0.914 -5.165 6.935 1.00 0.00 O ATOM 617 CB ALA A 41 1.184 -1.999 6.938 1.00 0.00 C ATOM 0 H ALA A 41 1.604 -1.760 4.481 1.00 0.00 H new ATOM 0 HA ALA A 41 2.783 -3.393 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.005 -2.355 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.844 -1.132 6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.236 -1.717 6.479 1.00 0.00 H new ATOM 623 N ALA A 42 0.112 -4.418 5.029 1.00 0.00 N ATOM 624 CA ALA A 42 -0.819 -5.574 4.907 1.00 0.00 C ATOM 625 C ALA A 42 -0.229 -6.596 3.932 1.00 0.00 C ATOM 626 O ALA A 42 -0.635 -7.741 3.894 1.00 0.00 O ATOM 627 CB ALA A 42 -2.168 -5.083 4.375 1.00 0.00 C ATOM 0 H ALA A 42 0.066 -3.743 4.266 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.959 -6.038 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.852 -5.927 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.586 -4.349 5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.028 -4.623 3.397 1.00 0.00 H new ATOM 633 N LEU A 43 0.723 -6.184 3.141 1.00 0.00 N ATOM 634 CA LEU A 43 1.345 -7.119 2.160 1.00 0.00 C ATOM 635 C LEU A 43 2.335 -8.040 2.875 1.00 0.00 C ATOM 636 O LEU A 43 2.836 -8.989 2.306 1.00 0.00 O ATOM 637 CB LEU A 43 2.087 -6.309 1.099 1.00 0.00 C ATOM 638 CG LEU A 43 1.279 -6.301 -0.200 1.00 0.00 C ATOM 639 CD1 LEU A 43 1.361 -7.680 -0.860 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.184 -5.972 0.108 1.00 0.00 C ATOM 0 H LEU A 43 1.099 -5.236 3.132 1.00 0.00 H new ATOM 0 HA LEU A 43 0.567 -7.722 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.242 -5.288 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.073 -6.739 0.923 1.00 0.00 H new ATOM 0 HG LEU A 43 1.686 -5.548 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.785 -7.675 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.402 -7.916 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.954 -8.432 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.759 -5.967 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.592 -6.724 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.245 -4.991 0.578 1.00 0.00 H new ATOM 652 N ALA A 44 2.622 -7.769 4.118 1.00 0.00 N ATOM 653 CA ALA A 44 3.581 -8.629 4.869 1.00 0.00 C ATOM 654 C ALA A 44 3.193 -10.103 4.715 1.00 0.00 C ATOM 655 O ALA A 44 3.996 -10.988 4.926 1.00 0.00 O ATOM 656 CB ALA A 44 3.555 -8.247 6.351 1.00 0.00 C ATOM 0 H ALA A 44 2.234 -6.988 4.647 1.00 0.00 H new ATOM 0 HA ALA A 44 4.584 -8.480 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.256 -8.875 6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.841 -7.201 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.550 -8.392 6.747 1.00 0.00 H new ATOM 662 N SER A 45 1.968 -10.375 4.350 1.00 0.00 N ATOM 663 CA SER A 45 1.538 -11.790 4.186 1.00 0.00 C ATOM 664 C SER A 45 2.199 -12.378 2.940 1.00 0.00 C ATOM 665 O SER A 45 2.896 -13.372 3.006 1.00 0.00 O ATOM 666 CB SER A 45 0.018 -11.846 4.030 1.00 0.00 C ATOM 667 OG SER A 45 -0.446 -10.607 3.509 1.00 0.00 O ATOM 0 H SER A 45 1.249 -9.677 4.159 1.00 0.00 H new ATOM 0 HA SER A 45 1.834 -12.365 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.261 -12.662 3.363 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.451 -12.047 4.993 1.00 0.00 H new ATOM 0 HG SER A 45 -1.420 -10.640 3.406 1.00 0.00 H new ATOM 673 N LYS A 46 1.989 -11.774 1.804 1.00 0.00 N ATOM 674 CA LYS A 46 2.611 -12.306 0.558 1.00 0.00 C ATOM 675 C LYS A 46 2.209 -11.447 -0.639 1.00 0.00 C ATOM 676 O LYS A 46 1.731 -10.339 -0.496 1.00 0.00 O ATOM 677 CB LYS A 46 2.148 -13.744 0.332 1.00 0.00 C ATOM 678 CG LYS A 46 3.343 -14.683 0.497 1.00 0.00 C ATOM 679 CD LYS A 46 3.813 -15.156 -0.878 1.00 0.00 C ATOM 680 CE LYS A 46 5.283 -14.780 -1.072 1.00 0.00 C ATOM 681 NZ LYS A 46 6.130 -15.995 -0.912 1.00 0.00 N ATOM 0 H LYS A 46 1.416 -10.939 1.684 1.00 0.00 H new ATOM 0 HA LYS A 46 3.696 -12.282 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.364 -14.003 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.721 -13.850 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.154 -14.170 1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.065 -15.539 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.688 -16.235 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.204 -14.700 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.432 -14.347 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.575 -14.022 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.130 -15.741 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.995 -16.389 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.857 -16.705 -1.622 1.00 0.00 H new ATOM 695 N THR A 47 2.414 -11.951 -1.822 1.00 0.00 N ATOM 696 CA THR A 47 2.061 -11.170 -3.041 1.00 0.00 C ATOM 697 C THR A 47 0.719 -11.644 -3.602 1.00 0.00 C ATOM 698 O THR A 47 0.475 -12.830 -3.713 1.00 0.00 O ATOM 699 CB THR A 47 3.143 -11.367 -4.106 1.00 0.00 C ATOM 700 OG1 THR A 47 2.819 -10.596 -5.255 1.00 0.00 O ATOM 701 CG2 THR A 47 3.227 -12.845 -4.493 1.00 0.00 C ATOM 0 H THR A 47 2.812 -12.873 -1.999 1.00 0.00 H new ATOM 0 HA THR A 47 1.988 -10.116 -2.773 1.00 0.00 H new ATOM 0 HB THR A 47 4.105 -11.045 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.721 -11.188 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.999 -12.979 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.476 -13.438 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.266 -13.172 -4.891 1.00 0.00 H new ATOM 709 N PRO A 48 -0.100 -10.693 -3.960 1.00 0.00 N ATOM 710 CA PRO A 48 -1.410 -11.054 -4.537 1.00 0.00 C ATOM 711 C PRO A 48 -1.311 -11.049 -6.068 1.00 0.00 C ATOM 712 O PRO A 48 -0.889 -12.017 -6.668 1.00 0.00 O ATOM 713 CB PRO A 48 -2.364 -9.970 -4.034 1.00 0.00 C ATOM 714 CG PRO A 48 -1.487 -8.756 -3.682 1.00 0.00 C ATOM 715 CD PRO A 48 -0.066 -9.297 -3.460 1.00 0.00 C ATOM 0 HA PRO A 48 -1.751 -12.048 -4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.097 -9.712 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.920 -10.315 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.501 -8.020 -4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.857 -8.256 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.671 -8.703 -4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.208 -9.263 -2.406 1.00 0.00 H new ATOM 723 N ASP A 49 -1.676 -9.971 -6.708 1.00 0.00 N ATOM 724 CA ASP A 49 -1.572 -9.929 -8.193 1.00 0.00 C ATOM 725 C ASP A 49 -0.548 -8.869 -8.592 1.00 0.00 C ATOM 726 O ASP A 49 0.561 -9.181 -8.977 1.00 0.00 O ATOM 727 CB ASP A 49 -2.931 -9.575 -8.796 1.00 0.00 C ATOM 728 CG ASP A 49 -3.338 -10.630 -9.827 1.00 0.00 C ATOM 729 OD1 ASP A 49 -3.387 -11.793 -9.463 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.607 -10.255 -10.956 1.00 0.00 O ATOM 0 H ASP A 49 -2.039 -9.124 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.259 -10.905 -8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.683 -9.515 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.884 -8.593 -9.267 1.00 0.00 H new ATOM 735 N VAL A 50 -0.909 -7.617 -8.504 1.00 0.00 N ATOM 736 CA VAL A 50 0.046 -6.535 -8.887 1.00 0.00 C ATOM 737 C VAL A 50 -0.237 -5.283 -8.048 1.00 0.00 C ATOM 738 O VAL A 50 -1.374 -4.948 -7.789 1.00 0.00 O ATOM 739 CB VAL A 50 -0.147 -6.211 -10.376 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.298 -4.775 -10.678 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.686 -7.177 -11.218 1.00 0.00 C ATOM 0 H VAL A 50 -1.823 -7.296 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 50 1.070 -6.862 -8.708 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.204 -6.314 -10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.154 -4.565 -11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.295 -4.078 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.352 -4.660 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.550 -6.948 -12.275 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.739 -7.073 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.364 -8.200 -11.024 1.00 0.00 H new ATOM 751 N LEU A 51 0.783 -4.573 -7.645 1.00 0.00 N ATOM 752 CA LEU A 51 0.543 -3.336 -6.852 1.00 0.00 C ATOM 753 C LEU A 51 0.527 -2.138 -7.801 1.00 0.00 C ATOM 754 O LEU A 51 1.045 -2.200 -8.900 1.00 0.00 O ATOM 755 CB LEU A 51 1.644 -3.148 -5.805 1.00 0.00 C ATOM 756 CG LEU A 51 1.024 -2.567 -4.528 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.017 -3.560 -3.948 1.00 0.00 C ATOM 758 CD2 LEU A 51 2.116 -2.299 -3.492 1.00 0.00 C ATOM 0 H LEU A 51 1.762 -4.794 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.413 -3.419 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.126 -4.102 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.416 -2.480 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 51 0.520 -1.632 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.422 -3.145 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.770 -3.749 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.524 -4.495 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.667 -1.887 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.625 -3.232 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.835 -1.587 -3.897 1.00 0.00 H new ATOM 770 N LEU A 52 -0.071 -1.052 -7.398 1.00 0.00 N ATOM 771 CA LEU A 52 -0.122 0.134 -8.295 1.00 0.00 C ATOM 772 C LEU A 52 0.057 1.415 -7.479 1.00 0.00 C ATOM 773 O LEU A 52 -0.637 1.648 -6.510 1.00 0.00 O ATOM 774 CB LEU A 52 -1.476 0.169 -9.006 1.00 0.00 C ATOM 775 CG LEU A 52 -1.262 0.105 -10.519 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.516 -0.459 -11.189 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.990 1.515 -11.050 1.00 0.00 C ATOM 0 H LEU A 52 -0.524 -0.935 -6.492 1.00 0.00 H new ATOM 0 HA LEU A 52 0.680 0.065 -9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.091 -0.669 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.013 1.080 -8.743 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.412 -0.540 -10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.363 -0.504 -12.267 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.713 -1.461 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.367 0.186 -10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.837 1.474 -12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.842 2.158 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.097 1.918 -10.572 1.00 0.00 H new ATOM 789 N SER A 53 0.978 2.252 -7.871 1.00 0.00 N ATOM 790 CA SER A 53 1.193 3.522 -7.127 1.00 0.00 C ATOM 791 C SER A 53 0.377 4.631 -7.794 1.00 0.00 C ATOM 792 O SER A 53 0.736 5.135 -8.840 1.00 0.00 O ATOM 793 CB SER A 53 2.678 3.888 -7.159 1.00 0.00 C ATOM 794 OG SER A 53 3.004 4.411 -8.440 1.00 0.00 O ATOM 0 H SER A 53 1.590 2.110 -8.674 1.00 0.00 H new ATOM 0 HA SER A 53 0.876 3.403 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.900 4.623 -6.386 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.286 3.009 -6.947 1.00 0.00 H new ATOM 0 HG SER A 53 2.505 5.241 -8.591 1.00 0.00 H new ATOM 800 N ASP A 54 -0.725 5.007 -7.205 1.00 0.00 N ATOM 801 CA ASP A 54 -1.564 6.074 -7.817 1.00 0.00 C ATOM 802 C ASP A 54 -1.094 7.448 -7.336 1.00 0.00 C ATOM 803 O ASP A 54 -1.056 7.725 -6.153 1.00 0.00 O ATOM 804 CB ASP A 54 -3.025 5.862 -7.416 1.00 0.00 C ATOM 805 CG ASP A 54 -3.847 5.510 -8.657 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.246 5.152 -9.657 1.00 0.00 O ATOM 807 OD2 ASP A 54 -5.060 5.604 -8.588 1.00 0.00 O ATOM 0 H ASP A 54 -1.079 4.622 -6.329 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.471 6.027 -8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.099 5.063 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.420 6.764 -6.949 1.00 0.00 H new ATOM 812 N ILE A 55 -0.737 8.312 -8.247 1.00 0.00 N ATOM 813 CA ILE A 55 -0.270 9.673 -7.850 1.00 0.00 C ATOM 814 C ILE A 55 -1.429 10.665 -7.980 1.00 0.00 C ATOM 815 O ILE A 55 -1.549 11.368 -8.964 1.00 0.00 O ATOM 816 CB ILE A 55 0.882 10.106 -8.763 1.00 0.00 C ATOM 817 CG1 ILE A 55 1.180 11.593 -8.546 1.00 0.00 C ATOM 818 CG2 ILE A 55 0.495 9.876 -10.227 1.00 0.00 C ATOM 819 CD1 ILE A 55 1.253 11.896 -7.048 1.00 0.00 C ATOM 0 H ILE A 55 -0.748 8.135 -9.251 1.00 0.00 H new ATOM 0 HA ILE A 55 0.077 9.653 -6.817 1.00 0.00 H new ATOM 0 HB ILE A 55 1.768 9.518 -8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.122 11.858 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.404 12.200 -9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.316 10.185 -10.873 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.286 8.818 -10.386 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.393 10.461 -10.465 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.465 12.955 -6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.300 11.648 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.046 11.301 -6.595 1.00 0.00 H new ATOM 831 N ARG A 56 -2.287 10.722 -6.997 1.00 0.00 N ATOM 832 CA ARG A 56 -3.441 11.662 -7.067 1.00 0.00 C ATOM 833 C ARG A 56 -3.302 12.734 -5.982 1.00 0.00 C ATOM 834 O ARG A 56 -3.912 13.782 -6.053 1.00 0.00 O ATOM 835 CB ARG A 56 -4.741 10.884 -6.852 1.00 0.00 C ATOM 836 CG ARG A 56 -5.906 11.863 -6.701 1.00 0.00 C ATOM 837 CD ARG A 56 -7.220 11.081 -6.646 1.00 0.00 C ATOM 838 NE ARG A 56 -8.123 11.550 -7.736 1.00 0.00 N ATOM 839 CZ ARG A 56 -8.816 10.686 -8.426 1.00 0.00 C ATOM 840 NH1 ARG A 56 -9.811 10.053 -7.870 1.00 0.00 N ATOM 841 NH2 ARG A 56 -8.513 10.455 -9.674 1.00 0.00 N ATOM 0 H ARG A 56 -2.238 10.158 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.458 12.142 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.921 10.216 -7.695 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.660 10.259 -5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.783 12.455 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.920 12.561 -7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.025 10.014 -6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.699 11.221 -5.677 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.199 12.546 -7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.049 10.233 -6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.352 9.378 -8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.735 10.950 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.054 9.780 -10.214 1.00 0.00 H new ATOM 855 N MET A 57 -2.510 12.480 -4.978 1.00 0.00 N ATOM 856 CA MET A 57 -2.340 13.486 -3.891 1.00 0.00 C ATOM 857 C MET A 57 -2.147 14.876 -4.504 1.00 0.00 C ATOM 858 O MET A 57 -1.476 15.025 -5.506 1.00 0.00 O ATOM 859 CB MET A 57 -1.112 13.128 -3.050 1.00 0.00 C ATOM 860 CG MET A 57 -1.560 12.479 -1.738 1.00 0.00 C ATOM 861 SD MET A 57 -2.501 10.975 -2.100 1.00 0.00 S ATOM 862 CE MET A 57 -1.241 9.785 -1.577 1.00 0.00 C ATOM 0 H MET A 57 -1.973 11.620 -4.862 1.00 0.00 H new ATOM 0 HA MET A 57 -3.228 13.487 -3.259 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.466 12.446 -3.603 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.527 14.024 -2.843 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.692 12.239 -1.124 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.173 13.176 -1.166 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.829 9.283 -2.452 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.443 10.308 -1.050 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.691 9.046 -0.914 1.00 0.00 H new ATOM 872 N PRO A 58 -2.744 15.853 -3.873 1.00 0.00 N ATOM 873 CA PRO A 58 -2.609 17.232 -4.394 1.00 0.00 C ATOM 874 C PRO A 58 -1.552 17.999 -3.593 1.00 0.00 C ATOM 875 O PRO A 58 -1.376 17.782 -2.411 1.00 0.00 O ATOM 876 CB PRO A 58 -3.992 17.852 -4.194 1.00 0.00 C ATOM 877 CG PRO A 58 -4.674 17.036 -3.080 1.00 0.00 C ATOM 878 CD PRO A 58 -3.932 15.691 -3.004 1.00 0.00 C ATOM 0 HA PRO A 58 -2.292 17.258 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.911 18.902 -3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.573 17.813 -5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.621 17.562 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -5.730 16.884 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.642 15.459 -1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.564 14.873 -3.349 1.00 0.00 H new ATOM 886 N GLY A 59 -0.847 18.896 -4.228 1.00 0.00 N ATOM 887 CA GLY A 59 0.197 19.672 -3.502 1.00 0.00 C ATOM 888 C GLY A 59 1.540 19.515 -4.218 1.00 0.00 C ATOM 889 O GLY A 59 1.625 18.918 -5.273 1.00 0.00 O ATOM 0 H GLY A 59 -0.949 19.124 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.082 20.725 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.278 19.320 -2.474 1.00 0.00 H new ATOM 893 N MET A 60 2.590 20.047 -3.655 1.00 0.00 N ATOM 894 CA MET A 60 3.925 19.929 -4.305 1.00 0.00 C ATOM 895 C MET A 60 4.399 18.474 -4.248 1.00 0.00 C ATOM 896 O MET A 60 5.202 18.043 -5.053 1.00 0.00 O ATOM 897 CB MET A 60 4.929 20.822 -3.573 1.00 0.00 C ATOM 898 CG MET A 60 5.416 21.924 -4.517 1.00 0.00 C ATOM 899 SD MET A 60 4.121 23.174 -4.712 1.00 0.00 S ATOM 900 CE MET A 60 5.199 24.538 -5.215 1.00 0.00 C ATOM 0 H MET A 60 2.581 20.558 -2.773 1.00 0.00 H new ATOM 0 HA MET A 60 3.849 20.243 -5.346 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.464 21.263 -2.691 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.774 20.228 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.321 22.383 -4.120 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.673 21.498 -5.487 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.598 25.430 -5.392 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.924 24.739 -4.426 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.725 24.267 -6.130 1.00 0.00 H new ATOM 910 N ASP A 61 3.910 17.715 -3.306 1.00 0.00 N ATOM 911 CA ASP A 61 4.334 16.290 -3.200 1.00 0.00 C ATOM 912 C ASP A 61 3.156 15.377 -3.551 1.00 0.00 C ATOM 913 O ASP A 61 2.010 15.779 -3.501 1.00 0.00 O ATOM 914 CB ASP A 61 4.798 16.003 -1.771 1.00 0.00 C ATOM 915 CG ASP A 61 3.596 16.042 -0.828 1.00 0.00 C ATOM 916 OD1 ASP A 61 2.688 16.815 -1.086 1.00 0.00 O ATOM 917 OD2 ASP A 61 3.603 15.297 0.139 1.00 0.00 O ATOM 0 H ASP A 61 3.235 18.020 -2.605 1.00 0.00 H new ATOM 0 HA ASP A 61 5.154 16.102 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.280 15.027 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.540 16.740 -1.463 1.00 0.00 H new ATOM 922 N GLY A 62 3.428 14.151 -3.910 1.00 0.00 N ATOM 923 CA GLY A 62 2.323 13.215 -4.268 1.00 0.00 C ATOM 924 C GLY A 62 2.329 12.018 -3.314 1.00 0.00 C ATOM 925 O GLY A 62 1.330 11.699 -2.699 1.00 0.00 O ATOM 0 H GLY A 62 4.367 13.757 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.365 13.731 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.442 12.873 -5.296 1.00 0.00 H new ATOM 929 N LEU A 63 3.444 11.351 -3.187 1.00 0.00 N ATOM 930 CA LEU A 63 3.510 10.174 -2.273 1.00 0.00 C ATOM 931 C LEU A 63 4.913 9.564 -2.325 1.00 0.00 C ATOM 932 O LEU A 63 5.322 9.006 -3.323 1.00 0.00 O ATOM 933 CB LEU A 63 2.484 9.125 -2.711 1.00 0.00 C ATOM 934 CG LEU A 63 2.666 8.817 -4.199 1.00 0.00 C ATOM 935 CD1 LEU A 63 3.008 7.337 -4.381 1.00 0.00 C ATOM 936 CD2 LEU A 63 1.368 9.133 -4.945 1.00 0.00 C ATOM 0 H LEU A 63 4.312 11.570 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 63 3.289 10.495 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.606 8.215 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.474 9.491 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 63 3.477 9.427 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.137 7.121 -5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.932 7.109 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.199 6.725 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.495 8.914 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.559 8.522 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.123 10.188 -4.819 1.00 0.00 H new ATOM 948 N ALA A 64 5.653 9.667 -1.254 1.00 0.00 N ATOM 949 CA ALA A 64 7.027 9.091 -1.241 1.00 0.00 C ATOM 950 C ALA A 64 6.972 7.661 -0.704 1.00 0.00 C ATOM 951 O ALA A 64 7.911 7.176 -0.106 1.00 0.00 O ATOM 952 CB ALA A 64 7.927 9.938 -0.339 1.00 0.00 C ATOM 0 H ALA A 64 5.365 10.125 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 64 7.429 9.086 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.932 9.517 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.965 10.959 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.526 9.942 0.674 1.00 0.00 H new ATOM 958 N LEU A 65 5.874 6.983 -0.907 1.00 0.00 N ATOM 959 CA LEU A 65 5.757 5.587 -0.402 1.00 0.00 C ATOM 960 C LEU A 65 6.018 4.599 -1.542 1.00 0.00 C ATOM 961 O LEU A 65 5.862 3.405 -1.385 1.00 0.00 O ATOM 962 CB LEU A 65 4.350 5.362 0.157 1.00 0.00 C ATOM 963 CG LEU A 65 3.856 6.640 0.836 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.695 7.229 0.034 1.00 0.00 C ATOM 965 CD2 LEU A 65 3.376 6.310 2.252 1.00 0.00 C ATOM 0 H LEU A 65 5.054 7.336 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 65 6.492 5.428 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.670 5.079 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.359 4.539 0.872 1.00 0.00 H new ATOM 0 HG LEU A 65 4.670 7.363 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.343 8.140 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.032 7.462 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.881 6.505 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.023 7.220 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.562 5.587 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.201 5.888 2.827 1.00 0.00 H new ATOM 977 N LEU A 66 6.418 5.079 -2.689 1.00 0.00 N ATOM 978 CA LEU A 66 6.691 4.145 -3.820 1.00 0.00 C ATOM 979 C LEU A 66 7.890 3.270 -3.453 1.00 0.00 C ATOM 980 O LEU A 66 7.786 2.063 -3.369 1.00 0.00 O ATOM 981 CB LEU A 66 6.998 4.942 -5.092 1.00 0.00 C ATOM 982 CG LEU A 66 7.681 4.037 -6.126 1.00 0.00 C ATOM 983 CD1 LEU A 66 6.836 2.782 -6.362 1.00 0.00 C ATOM 984 CD2 LEU A 66 7.832 4.796 -7.444 1.00 0.00 C ATOM 0 H LEU A 66 6.566 6.068 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 66 5.817 3.519 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.076 5.351 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.643 5.788 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 66 8.662 3.746 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.328 2.145 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.726 2.236 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.852 3.070 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.317 4.155 -8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.848 5.089 -7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.439 5.687 -7.283 1.00 0.00 H new ATOM 996 N LYS A 67 9.027 3.868 -3.221 1.00 0.00 N ATOM 997 CA LYS A 67 10.218 3.060 -2.846 1.00 0.00 C ATOM 998 C LYS A 67 9.814 2.083 -1.743 1.00 0.00 C ATOM 999 O LYS A 67 10.228 0.940 -1.724 1.00 0.00 O ATOM 1000 CB LYS A 67 11.326 3.983 -2.336 1.00 0.00 C ATOM 1001 CG LYS A 67 12.665 3.551 -2.938 1.00 0.00 C ATOM 1002 CD LYS A 67 13.462 4.789 -3.353 1.00 0.00 C ATOM 1003 CE LYS A 67 14.782 4.831 -2.580 1.00 0.00 C ATOM 1004 NZ LYS A 67 14.736 5.934 -1.579 1.00 0.00 N ATOM 0 H LYS A 67 9.181 4.875 -3.275 1.00 0.00 H new ATOM 0 HA LYS A 67 10.586 2.512 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.108 5.016 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.375 3.944 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.231 2.968 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.497 2.908 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.657 4.766 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.883 5.691 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.953 3.878 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.614 4.984 -3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.633 5.963 -1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.592 6.841 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.951 5.769 -0.916 1.00 0.00 H new ATOM 1018 N GLN A 68 8.993 2.525 -0.827 1.00 0.00 N ATOM 1019 CA GLN A 68 8.541 1.626 0.270 1.00 0.00 C ATOM 1020 C GLN A 68 7.992 0.337 -0.345 1.00 0.00 C ATOM 1021 O GLN A 68 8.442 -0.746 -0.030 1.00 0.00 O ATOM 1022 CB GLN A 68 7.447 2.331 1.083 1.00 0.00 C ATOM 1023 CG GLN A 68 6.644 1.305 1.887 1.00 0.00 C ATOM 1024 CD GLN A 68 7.551 0.652 2.932 1.00 0.00 C ATOM 1025 OE1 GLN A 68 8.734 0.492 2.710 1.00 0.00 O ATOM 1026 NE2 GLN A 68 7.042 0.265 4.070 1.00 0.00 N ATOM 0 H GLN A 68 8.616 3.472 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 68 9.374 1.386 0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.897 3.061 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.784 2.880 0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.799 1.791 2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.234 0.546 1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.048 0.400 4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.638 -0.172 4.773 1.00 0.00 H new ATOM 1035 N ILE A 69 7.016 0.457 -1.214 1.00 0.00 N ATOM 1036 CA ILE A 69 6.411 -0.747 -1.864 1.00 0.00 C ATOM 1037 C ILE A 69 7.481 -1.828 -2.067 1.00 0.00 C ATOM 1038 O ILE A 69 7.538 -2.799 -1.346 1.00 0.00 O ATOM 1039 CB ILE A 69 5.820 -0.332 -3.223 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.416 0.242 -3.012 1.00 0.00 C ATOM 1041 CG2 ILE A 69 5.728 -1.542 -4.160 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.069 1.179 -4.171 1.00 0.00 C ATOM 0 H ILE A 69 6.610 1.347 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 69 5.625 -1.152 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 69 6.470 0.418 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.686 -0.566 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.371 0.783 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.308 -1.230 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.724 -1.956 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.087 -2.301 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.070 1.588 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.792 1.993 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.097 0.624 -5.109 1.00 0.00 H new ATOM 1054 N LYS A 70 8.327 -1.662 -3.048 1.00 0.00 N ATOM 1055 CA LYS A 70 9.391 -2.676 -3.307 1.00 0.00 C ATOM 1056 C LYS A 70 9.978 -3.172 -1.983 1.00 0.00 C ATOM 1057 O LYS A 70 9.947 -4.351 -1.690 1.00 0.00 O ATOM 1058 CB LYS A 70 10.502 -2.038 -4.144 1.00 0.00 C ATOM 1059 CG LYS A 70 11.111 -3.091 -5.071 1.00 0.00 C ATOM 1060 CD LYS A 70 11.002 -2.618 -6.521 1.00 0.00 C ATOM 1061 CE LYS A 70 11.796 -1.323 -6.693 1.00 0.00 C ATOM 1062 NZ LYS A 70 12.925 -1.557 -7.638 1.00 0.00 N ATOM 0 H LYS A 70 8.327 -0.865 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 70 8.958 -3.520 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.101 -1.211 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.271 -1.624 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.156 -3.260 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.594 -4.042 -4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.385 -3.384 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.957 -2.455 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.147 -0.533 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.178 -0.987 -5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.197 -0.657 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.738 -1.946 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.629 -2.231 -8.372 1.00 0.00 H new ATOM 1076 N GLN A 71 10.527 -2.282 -1.199 1.00 0.00 N ATOM 1077 CA GLN A 71 11.140 -2.682 0.105 1.00 0.00 C ATOM 1078 C GLN A 71 10.372 -3.851 0.735 1.00 0.00 C ATOM 1079 O GLN A 71 10.876 -4.952 0.838 1.00 0.00 O ATOM 1080 CB GLN A 71 11.104 -1.487 1.059 1.00 0.00 C ATOM 1081 CG GLN A 71 12.488 -1.289 1.681 1.00 0.00 C ATOM 1082 CD GLN A 71 13.067 0.055 1.231 1.00 0.00 C ATOM 1083 OE1 GLN A 71 14.225 0.141 0.874 1.00 0.00 O ATOM 1084 NE2 GLN A 71 12.304 1.114 1.233 1.00 0.00 N ATOM 0 H GLN A 71 10.578 -1.285 -1.407 1.00 0.00 H new ATOM 0 HA GLN A 71 12.168 -2.998 -0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.803 -0.588 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.363 -1.654 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.417 -1.320 2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.151 -2.100 1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.332 1.042 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.680 2.014 0.935 1.00 0.00 H new ATOM 1093 N ARG A 72 9.162 -3.617 1.166 1.00 0.00 N ATOM 1094 CA ARG A 72 8.367 -4.711 1.803 1.00 0.00 C ATOM 1095 C ARG A 72 7.900 -5.711 0.742 1.00 0.00 C ATOM 1096 O ARG A 72 8.258 -6.871 0.785 1.00 0.00 O ATOM 1097 CB ARG A 72 7.152 -4.106 2.509 1.00 0.00 C ATOM 1098 CG ARG A 72 7.229 -4.403 4.009 1.00 0.00 C ATOM 1099 CD ARG A 72 8.538 -3.846 4.578 1.00 0.00 C ATOM 1100 NE ARG A 72 8.512 -2.358 4.527 1.00 0.00 N ATOM 1101 CZ ARG A 72 9.376 -1.668 5.222 1.00 0.00 C ATOM 1102 NH1 ARG A 72 9.420 -1.797 6.520 1.00 0.00 N ATOM 1103 NH2 ARG A 72 10.196 -0.851 4.620 1.00 0.00 N ATOM 0 H ARG A 72 8.688 -2.716 1.105 1.00 0.00 H new ATOM 0 HA ARG A 72 8.992 -5.233 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.121 -3.029 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.234 -4.520 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.378 -3.955 4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.175 -5.478 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.672 -4.182 5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.385 -4.225 4.006 1.00 0.00 H new ATOM 0 HE ARG A 72 7.821 -1.879 3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.780 -2.436 6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.095 -1.258 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.163 -0.751 3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.870 -0.313 5.164 1.00 0.00 H new ATOM 1117 N HIS A 73 7.095 -5.271 -0.195 1.00 0.00 N ATOM 1118 CA HIS A 73 6.584 -6.186 -1.265 1.00 0.00 C ATOM 1119 C HIS A 73 7.624 -7.265 -1.584 1.00 0.00 C ATOM 1120 O HIS A 73 8.706 -6.966 -2.049 1.00 0.00 O ATOM 1121 CB HIS A 73 6.301 -5.374 -2.533 1.00 0.00 C ATOM 1122 CG HIS A 73 4.835 -5.444 -2.861 1.00 0.00 C ATOM 1123 ND1 HIS A 73 4.378 -5.674 -4.150 1.00 0.00 N ATOM 1124 CD2 HIS A 73 3.712 -5.314 -2.083 1.00 0.00 C ATOM 1125 CE1 HIS A 73 3.034 -5.675 -4.109 1.00 0.00 C ATOM 1126 NE2 HIS A 73 2.576 -5.460 -2.873 1.00 0.00 N ATOM 0 H HIS A 73 6.767 -4.308 -0.265 1.00 0.00 H new ATOM 0 HA HIS A 73 5.670 -6.664 -0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.602 -4.337 -2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.889 -5.763 -3.365 1.00 0.00 H new ATOM 0 HD1 HIS A 73 4.956 -5.816 -4.978 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.710 -5.127 -1.019 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.402 -5.831 -4.971 1.00 0.00 H new ATOM 1134 N PRO A 74 7.259 -8.490 -1.310 1.00 0.00 N ATOM 1135 CA PRO A 74 8.205 -9.596 -1.575 1.00 0.00 C ATOM 1136 C PRO A 74 8.922 -9.378 -2.910 1.00 0.00 C ATOM 1137 O PRO A 74 10.085 -9.026 -2.949 1.00 0.00 O ATOM 1138 CB PRO A 74 7.329 -10.847 -1.632 1.00 0.00 C ATOM 1139 CG PRO A 74 5.910 -10.361 -1.973 1.00 0.00 C ATOM 1140 CD PRO A 74 5.854 -8.872 -1.594 1.00 0.00 C ATOM 0 HA PRO A 74 8.981 -9.671 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.694 -11.544 -2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.341 -11.375 -0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.697 -10.499 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.162 -10.930 -1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.440 -8.274 -2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.218 -8.711 -0.723 1.00 0.00 H new ATOM 1148 N MET A 75 8.242 -9.587 -4.004 1.00 0.00 N ATOM 1149 CA MET A 75 8.892 -9.393 -5.329 1.00 0.00 C ATOM 1150 C MET A 75 7.875 -9.662 -6.443 1.00 0.00 C ATOM 1151 O MET A 75 8.016 -10.589 -7.217 1.00 0.00 O ATOM 1152 CB MET A 75 10.072 -10.359 -5.459 1.00 0.00 C ATOM 1153 CG MET A 75 9.588 -11.791 -5.229 1.00 0.00 C ATOM 1154 SD MET A 75 10.900 -12.752 -4.430 1.00 0.00 S ATOM 1155 CE MET A 75 10.499 -12.311 -2.720 1.00 0.00 C ATOM 0 H MET A 75 7.266 -9.883 -4.037 1.00 0.00 H new ATOM 0 HA MET A 75 9.252 -8.368 -5.414 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.521 -10.270 -6.448 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.845 -10.105 -4.734 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.694 -11.788 -4.606 1.00 0.00 H new ATOM 0 HG3 MET A 75 9.313 -12.250 -6.179 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.022 -12.982 -2.039 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.809 -11.284 -2.527 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.424 -12.401 -2.564 1.00 0.00 H new ATOM 1165 N LEU A 76 6.853 -8.853 -6.529 1.00 0.00 N ATOM 1166 CA LEU A 76 5.825 -9.051 -7.591 1.00 0.00 C ATOM 1167 C LEU A 76 5.661 -7.738 -8.371 1.00 0.00 C ATOM 1168 O LEU A 76 5.851 -6.670 -7.827 1.00 0.00 O ATOM 1169 CB LEU A 76 4.501 -9.461 -6.935 1.00 0.00 C ATOM 1170 CG LEU A 76 4.002 -8.338 -6.029 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.483 -8.218 -6.165 1.00 0.00 C ATOM 1172 CD2 LEU A 76 4.359 -8.666 -4.580 1.00 0.00 C ATOM 0 H LEU A 76 6.686 -8.062 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 76 6.132 -9.837 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.757 -9.680 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.639 -10.374 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 76 4.469 -7.396 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.122 -7.417 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.227 -7.993 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.016 -9.158 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.005 -7.867 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.886 -9.605 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.441 -8.760 -4.484 1.00 0.00 H new ATOM 1184 N PRO A 77 5.342 -7.866 -9.635 1.00 0.00 N ATOM 1185 CA PRO A 77 5.199 -6.646 -10.471 1.00 0.00 C ATOM 1186 C PRO A 77 4.322 -5.588 -9.790 1.00 0.00 C ATOM 1187 O PRO A 77 3.325 -5.891 -9.165 1.00 0.00 O ATOM 1188 CB PRO A 77 4.541 -7.137 -11.759 1.00 0.00 C ATOM 1189 CG PRO A 77 3.821 -8.447 -11.402 1.00 0.00 C ATOM 1190 CD PRO A 77 4.491 -8.980 -10.127 1.00 0.00 C ATOM 0 HA PRO A 77 6.162 -6.165 -10.645 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.837 -6.398 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.286 -7.302 -12.538 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.758 -8.273 -11.238 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.904 -9.169 -12.214 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.748 -9.266 -9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.088 -9.867 -10.338 1.00 0.00 H new ATOM 1198 N VAL A 78 4.695 -4.342 -9.925 1.00 0.00 N ATOM 1199 CA VAL A 78 3.913 -3.240 -9.317 1.00 0.00 C ATOM 1200 C VAL A 78 3.862 -2.074 -10.308 1.00 0.00 C ATOM 1201 O VAL A 78 4.786 -1.292 -10.402 1.00 0.00 O ATOM 1202 CB VAL A 78 4.607 -2.781 -8.041 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.276 -3.739 -6.897 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.123 -2.745 -8.259 1.00 0.00 C ATOM 0 H VAL A 78 5.523 -4.043 -10.440 1.00 0.00 H new ATOM 0 HA VAL A 78 2.904 -3.579 -9.083 1.00 0.00 H new ATOM 0 HB VAL A 78 4.256 -1.781 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.775 -3.406 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.198 -3.754 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.618 -4.742 -7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.615 -2.416 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.476 -3.742 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.358 -2.051 -9.066 1.00 0.00 H new ATOM 1214 N ILE A 79 2.799 -1.953 -11.054 1.00 0.00 N ATOM 1215 CA ILE A 79 2.712 -0.838 -12.043 1.00 0.00 C ATOM 1216 C ILE A 79 2.665 0.505 -11.311 1.00 0.00 C ATOM 1217 O ILE A 79 2.341 0.576 -10.143 1.00 0.00 O ATOM 1218 CB ILE A 79 1.450 -1.000 -12.894 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.506 -2.341 -13.631 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.371 0.139 -13.912 1.00 0.00 C ATOM 1221 CD1 ILE A 79 0.429 -2.376 -14.718 1.00 0.00 C ATOM 0 H ILE A 79 1.990 -2.573 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 79 3.590 -0.866 -12.688 1.00 0.00 H new ATOM 0 HB ILE A 79 0.570 -0.972 -12.252 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.491 -2.482 -14.076 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.354 -3.160 -12.928 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.472 0.024 -14.518 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.335 1.094 -13.388 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.249 0.112 -14.557 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.471 -3.331 -15.241 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.553 -2.255 -14.261 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.601 -1.566 -15.427 1.00 0.00 H new ATOM 1233 N ILE A 80 2.985 1.572 -11.991 1.00 0.00 N ATOM 1234 CA ILE A 80 2.957 2.911 -11.335 1.00 0.00 C ATOM 1235 C ILE A 80 2.449 3.953 -12.333 1.00 0.00 C ATOM 1236 O ILE A 80 2.875 3.994 -13.470 1.00 0.00 O ATOM 1237 CB ILE A 80 4.368 3.293 -10.881 1.00 0.00 C ATOM 1238 CG1 ILE A 80 5.320 3.247 -12.078 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.846 2.312 -9.810 1.00 0.00 C ATOM 1240 CD1 ILE A 80 5.819 4.661 -12.387 1.00 0.00 C ATOM 0 H ILE A 80 3.265 1.575 -12.972 1.00 0.00 H new ATOM 0 HA ILE A 80 2.295 2.875 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 80 4.354 4.301 -10.467 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.163 2.591 -11.861 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.809 2.832 -12.947 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.851 2.586 -9.488 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.169 2.347 -8.956 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.859 1.303 -10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.497 4.629 -13.240 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.970 5.303 -12.622 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.345 5.059 -11.519 1.00 0.00 H new ATOM 1252 N MET A 81 1.545 4.798 -11.919 1.00 0.00 N ATOM 1253 CA MET A 81 1.017 5.834 -12.851 1.00 0.00 C ATOM 1254 C MET A 81 2.099 6.889 -13.094 1.00 0.00 C ATOM 1255 O MET A 81 3.125 6.898 -12.444 1.00 0.00 O ATOM 1256 CB MET A 81 -0.221 6.492 -12.242 1.00 0.00 C ATOM 1257 CG MET A 81 -1.394 6.366 -13.214 1.00 0.00 C ATOM 1258 SD MET A 81 -2.869 5.830 -12.312 1.00 0.00 S ATOM 1259 CE MET A 81 -3.606 4.852 -13.644 1.00 0.00 C ATOM 0 H MET A 81 1.150 4.816 -10.979 1.00 0.00 H new ATOM 0 HA MET A 81 0.742 5.369 -13.798 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.469 6.017 -11.293 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.021 7.542 -12.030 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.580 7.323 -13.702 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.154 5.649 -13.999 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.446 4.278 -13.252 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.958 5.518 -14.432 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.859 4.170 -14.051 1.00 0.00 H new ATOM 1269 N THR A 82 1.887 7.772 -14.030 1.00 0.00 N ATOM 1270 CA THR A 82 2.918 8.812 -14.313 1.00 0.00 C ATOM 1271 C THR A 82 2.585 10.105 -13.568 1.00 0.00 C ATOM 1272 O THR A 82 1.452 10.357 -13.209 1.00 0.00 O ATOM 1273 CB THR A 82 2.963 9.091 -15.817 1.00 0.00 C ATOM 1274 OG1 THR A 82 2.639 7.904 -16.529 1.00 0.00 O ATOM 1275 CG2 THR A 82 4.365 9.558 -16.211 1.00 0.00 C ATOM 0 H THR A 82 1.049 7.819 -14.609 1.00 0.00 H new ATOM 0 HA THR A 82 3.888 8.447 -13.976 1.00 0.00 H new ATOM 0 HB THR A 82 2.241 9.870 -16.062 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.099 7.906 -17.394 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.395 9.756 -17.282 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.611 10.470 -15.666 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.090 8.782 -15.965 1.00 0.00 H new ATOM 1283 N ALA A 83 3.572 10.930 -13.337 1.00 0.00 N ATOM 1284 CA ALA A 83 3.325 12.212 -12.621 1.00 0.00 C ATOM 1285 C ALA A 83 4.659 12.864 -12.252 1.00 0.00 C ATOM 1286 O ALA A 83 5.160 13.714 -12.960 1.00 0.00 O ATOM 1287 CB ALA A 83 2.528 11.944 -11.348 1.00 0.00 C ATOM 0 H ALA A 83 4.540 10.769 -13.615 1.00 0.00 H new ATOM 0 HA ALA A 83 2.761 12.880 -13.272 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.349 12.884 -10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.574 11.485 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.091 11.272 -10.701 1.00 0.00 H new ATOM 1293 N HIS A 84 5.239 12.482 -11.142 1.00 0.00 N ATOM 1294 CA HIS A 84 6.534 13.099 -10.737 1.00 0.00 C ATOM 1295 C HIS A 84 6.999 12.535 -9.393 1.00 0.00 C ATOM 1296 O HIS A 84 7.907 11.730 -9.345 1.00 0.00 O ATOM 1297 CB HIS A 84 6.349 14.613 -10.612 1.00 0.00 C ATOM 1298 CG HIS A 84 7.350 15.321 -11.481 1.00 0.00 C ATOM 1299 ND1 HIS A 84 6.971 16.247 -12.441 1.00 0.00 N ATOM 1300 CD2 HIS A 84 8.722 15.257 -11.544 1.00 0.00 C ATOM 1301 CE1 HIS A 84 8.091 16.700 -13.033 1.00 0.00 C ATOM 1302 NE2 HIS A 84 9.186 16.129 -12.524 1.00 0.00 N ATOM 0 H HIS A 84 4.873 11.775 -10.504 1.00 0.00 H new ATOM 0 HA HIS A 84 7.286 12.872 -11.492 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.337 14.891 -10.907 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.474 14.919 -9.573 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.345 14.626 -10.927 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.103 17.436 -13.824 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.155 16.296 -12.796 1.00 0.00 H new ATOM 1310 N SER A 85 6.425 12.974 -8.291 1.00 0.00 N ATOM 1311 CA SER A 85 6.909 12.465 -6.970 1.00 0.00 C ATOM 1312 C SER A 85 8.413 12.563 -6.994 1.00 0.00 C ATOM 1313 O SER A 85 9.112 11.812 -6.346 1.00 0.00 O ATOM 1314 CB SER A 85 6.479 11.009 -6.777 1.00 0.00 C ATOM 1315 OG SER A 85 7.022 10.214 -7.823 1.00 0.00 O ATOM 0 H SER A 85 5.660 13.647 -8.252 1.00 0.00 H new ATOM 0 HA SER A 85 6.491 13.046 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.823 10.642 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.391 10.936 -6.777 1.00 0.00 H new ATOM 0 HG SER A 85 7.753 10.700 -8.258 1.00 0.00 H new ATOM 1321 N ASP A 86 8.909 13.486 -7.773 1.00 0.00 N ATOM 1322 CA ASP A 86 10.363 13.635 -7.900 1.00 0.00 C ATOM 1323 C ASP A 86 10.892 12.319 -8.441 1.00 0.00 C ATOM 1324 O ASP A 86 10.687 11.273 -7.849 1.00 0.00 O ATOM 1325 CB ASP A 86 10.979 13.928 -6.531 1.00 0.00 C ATOM 1326 CG ASP A 86 11.608 15.323 -6.541 1.00 0.00 C ATOM 1327 OD1 ASP A 86 12.279 15.640 -7.509 1.00 0.00 O ATOM 1328 OD2 ASP A 86 11.406 16.050 -5.584 1.00 0.00 O ATOM 0 H ASP A 86 8.355 14.141 -8.325 1.00 0.00 H new ATOM 0 HA ASP A 86 10.618 14.461 -8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.215 13.868 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.734 13.179 -6.293 1.00 0.00 H new ATOM 1333 N LEU A 87 11.532 12.336 -9.582 1.00 0.00 N ATOM 1334 CA LEU A 87 12.047 11.061 -10.157 1.00 0.00 C ATOM 1335 C LEU A 87 12.573 10.185 -9.009 1.00 0.00 C ATOM 1336 O LEU A 87 12.563 8.983 -9.063 1.00 0.00 O ATOM 1337 CB LEU A 87 13.160 11.381 -11.145 1.00 0.00 C ATOM 1338 CG LEU A 87 13.432 10.153 -12.016 1.00 0.00 C ATOM 1339 CD1 LEU A 87 12.158 9.771 -12.773 1.00 0.00 C ATOM 1340 CD2 LEU A 87 14.537 10.478 -13.024 1.00 0.00 C ATOM 0 H LEU A 87 11.718 13.172 -10.136 1.00 0.00 H new ATOM 0 HA LEU A 87 11.257 10.523 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.875 12.228 -11.769 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.065 11.669 -10.610 1.00 0.00 H new ATOM 0 HG LEU A 87 13.745 9.323 -11.383 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.352 8.896 -13.394 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.366 9.542 -12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.847 10.603 -13.405 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.732 9.604 -13.645 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.221 11.308 -13.655 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.447 10.754 -12.490 1.00 0.00 H new ATOM 1352 N ASP A 88 12.988 10.805 -7.941 1.00 0.00 N ATOM 1353 CA ASP A 88 13.456 10.048 -6.755 1.00 0.00 C ATOM 1354 C ASP A 88 12.679 8.738 -6.629 1.00 0.00 C ATOM 1355 O ASP A 88 13.225 7.661 -6.768 1.00 0.00 O ATOM 1356 CB ASP A 88 13.172 10.901 -5.513 1.00 0.00 C ATOM 1357 CG ASP A 88 14.366 10.847 -4.560 1.00 0.00 C ATOM 1358 OD1 ASP A 88 15.001 9.809 -4.496 1.00 0.00 O ATOM 1359 OD2 ASP A 88 14.625 11.846 -3.909 1.00 0.00 O ATOM 0 H ASP A 88 13.022 11.820 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 88 14.519 9.827 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.976 11.932 -5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 88 12.277 10.538 -5.009 1.00 0.00 H new ATOM 1364 N ALA A 89 11.404 8.827 -6.382 1.00 0.00 N ATOM 1365 CA ALA A 89 10.586 7.594 -6.264 1.00 0.00 C ATOM 1366 C ALA A 89 10.203 7.128 -7.668 1.00 0.00 C ATOM 1367 O ALA A 89 10.055 5.950 -7.920 1.00 0.00 O ATOM 1368 CB ALA A 89 9.323 7.893 -5.455 1.00 0.00 C ATOM 0 H ALA A 89 10.894 9.701 -6.257 1.00 0.00 H new ATOM 0 HA ALA A 89 11.154 6.814 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.723 6.987 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.602 8.239 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.743 8.666 -5.959 1.00 0.00 H new ATOM 1374 N ALA A 90 10.051 8.042 -8.591 1.00 0.00 N ATOM 1375 CA ALA A 90 9.683 7.629 -9.978 1.00 0.00 C ATOM 1376 C ALA A 90 10.820 6.791 -10.571 1.00 0.00 C ATOM 1377 O ALA A 90 10.651 5.619 -10.836 1.00 0.00 O ATOM 1378 CB ALA A 90 9.449 8.874 -10.832 1.00 0.00 C ATOM 0 H ALA A 90 10.164 9.045 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 90 8.770 7.034 -9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.180 8.575 -11.845 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.640 9.464 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.360 9.472 -10.860 1.00 0.00 H new ATOM 1384 N VAL A 91 11.965 7.407 -10.774 1.00 0.00 N ATOM 1385 CA VAL A 91 13.173 6.720 -11.341 1.00 0.00 C ATOM 1386 C VAL A 91 13.019 5.191 -11.308 1.00 0.00 C ATOM 1387 O VAL A 91 13.167 4.523 -12.312 1.00 0.00 O ATOM 1388 CB VAL A 91 14.418 7.167 -10.533 1.00 0.00 C ATOM 1389 CG1 VAL A 91 14.783 6.141 -9.451 1.00 0.00 C ATOM 1390 CG2 VAL A 91 15.604 7.331 -11.486 1.00 0.00 C ATOM 0 H VAL A 91 12.115 8.393 -10.562 1.00 0.00 H new ATOM 0 HA VAL A 91 13.289 7.003 -12.387 1.00 0.00 H new ATOM 0 HB VAL A 91 14.185 8.113 -10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.660 6.486 -8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.947 6.026 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.002 5.181 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.483 7.645 -10.923 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.809 6.380 -11.978 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.366 8.084 -12.237 1.00 0.00 H new ATOM 1400 N SER A 92 12.720 4.633 -10.166 1.00 0.00 N ATOM 1401 CA SER A 92 12.556 3.156 -10.084 1.00 0.00 C ATOM 1402 C SER A 92 11.485 2.716 -11.083 1.00 0.00 C ATOM 1403 O SER A 92 10.306 2.731 -10.790 1.00 0.00 O ATOM 1404 CB SER A 92 12.126 2.767 -8.668 1.00 0.00 C ATOM 1405 OG SER A 92 12.559 1.441 -8.393 1.00 0.00 O ATOM 0 H SER A 92 12.583 5.136 -9.289 1.00 0.00 H new ATOM 0 HA SER A 92 13.501 2.667 -10.320 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.554 3.459 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.042 2.835 -8.573 1.00 0.00 H new ATOM 0 HG SER A 92 12.431 1.246 -7.441 1.00 0.00 H new ATOM 1411 N ALA A 93 11.883 2.330 -12.263 1.00 0.00 N ATOM 1412 CA ALA A 93 10.886 1.894 -13.279 1.00 0.00 C ATOM 1413 C ALA A 93 11.287 0.525 -13.833 1.00 0.00 C ATOM 1414 O ALA A 93 10.686 -0.481 -13.513 1.00 0.00 O ATOM 1415 CB ALA A 93 10.842 2.915 -14.418 1.00 0.00 C ATOM 0 H ALA A 93 12.856 2.298 -12.568 1.00 0.00 H new ATOM 0 HA ALA A 93 9.901 1.823 -12.817 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.113 2.598 -15.163 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.556 3.890 -14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.826 2.986 -14.881 1.00 0.00 H new ATOM 1421 N TYR A 94 12.298 0.475 -14.658 1.00 0.00 N ATOM 1422 CA TYR A 94 12.727 -0.840 -15.219 1.00 0.00 C ATOM 1423 C TYR A 94 13.891 -1.394 -14.395 1.00 0.00 C ATOM 1424 O TYR A 94 14.532 -2.353 -14.775 1.00 0.00 O ATOM 1425 CB TYR A 94 13.157 -0.690 -16.684 1.00 0.00 C ATOM 1426 CG TYR A 94 13.648 0.714 -16.952 1.00 0.00 C ATOM 1427 CD1 TYR A 94 14.835 1.168 -16.364 1.00 0.00 C ATOM 1428 CD2 TYR A 94 12.918 1.560 -17.797 1.00 0.00 C ATOM 1429 CE1 TYR A 94 15.291 2.467 -16.621 1.00 0.00 C ATOM 1430 CE2 TYR A 94 13.373 2.859 -18.053 1.00 0.00 C ATOM 1431 CZ TYR A 94 14.560 3.312 -17.465 1.00 0.00 C ATOM 1432 OH TYR A 94 15.008 4.591 -17.719 1.00 0.00 O ATOM 0 H TYR A 94 12.842 1.281 -14.966 1.00 0.00 H new ATOM 0 HA TYR A 94 11.884 -1.530 -15.174 1.00 0.00 H new ATOM 0 HB2 TYR A 94 13.946 -1.407 -16.913 1.00 0.00 H new ATOM 0 HB3 TYR A 94 12.318 -0.919 -17.341 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.399 0.517 -15.713 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.003 1.210 -18.252 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.207 2.817 -16.168 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.809 3.511 -18.703 1.00 0.00 H new ATOM 0 HH TYR A 94 14.384 5.042 -18.325 1.00 0.00 H new ATOM 1442 N GLN A 95 14.161 -0.807 -13.259 1.00 0.00 N ATOM 1443 CA GLN A 95 15.271 -1.314 -12.403 1.00 0.00 C ATOM 1444 C GLN A 95 14.676 -2.207 -11.313 1.00 0.00 C ATOM 1445 O GLN A 95 14.019 -1.737 -10.406 1.00 0.00 O ATOM 1446 CB GLN A 95 16.011 -0.140 -11.751 1.00 0.00 C ATOM 1447 CG GLN A 95 15.882 1.108 -12.627 1.00 0.00 C ATOM 1448 CD GLN A 95 16.631 2.270 -11.970 1.00 0.00 C ATOM 1449 OE1 GLN A 95 17.808 2.168 -11.689 1.00 0.00 O ATOM 1450 NE2 GLN A 95 15.992 3.378 -11.713 1.00 0.00 N ATOM 0 H GLN A 95 13.661 0.001 -12.888 1.00 0.00 H new ATOM 0 HA GLN A 95 15.976 -1.879 -13.013 1.00 0.00 H new ATOM 0 HB2 GLN A 95 15.599 0.056 -10.761 1.00 0.00 H new ATOM 0 HB3 GLN A 95 17.063 -0.392 -11.615 1.00 0.00 H new ATOM 0 HG2 GLN A 95 16.289 0.913 -13.619 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.831 1.366 -12.759 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.003 3.463 -11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.481 4.159 -11.276 1.00 0.00 H new ATOM 1459 N GLN A 96 14.883 -3.492 -11.400 1.00 0.00 N ATOM 1460 CA GLN A 96 14.307 -4.400 -10.372 1.00 0.00 C ATOM 1461 C GLN A 96 12.783 -4.273 -10.411 1.00 0.00 C ATOM 1462 O GLN A 96 12.248 -3.342 -10.979 1.00 0.00 O ATOM 1463 CB GLN A 96 14.822 -4.004 -8.986 1.00 0.00 C ATOM 1464 CG GLN A 96 14.316 -5.007 -7.946 1.00 0.00 C ATOM 1465 CD GLN A 96 15.367 -5.183 -6.849 1.00 0.00 C ATOM 1466 OE1 GLN A 96 15.996 -4.230 -6.436 1.00 0.00 O ATOM 1467 NE2 GLN A 96 15.586 -6.372 -6.358 1.00 0.00 N ATOM 0 H GLN A 96 15.423 -3.949 -12.134 1.00 0.00 H new ATOM 0 HA GLN A 96 14.602 -5.429 -10.576 1.00 0.00 H new ATOM 0 HB2 GLN A 96 15.912 -3.981 -8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.482 -3.000 -8.733 1.00 0.00 H new ATOM 0 HG2 GLN A 96 13.379 -4.656 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 96 14.108 -5.966 -8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.057 -7.172 -6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.286 -6.501 -5.627 1.00 0.00 H new ATOM 1476 N GLY A 97 12.076 -5.197 -9.823 1.00 0.00 N ATOM 1477 CA GLY A 97 10.589 -5.114 -9.849 1.00 0.00 C ATOM 1478 C GLY A 97 10.112 -5.111 -11.302 1.00 0.00 C ATOM 1479 O GLY A 97 10.904 -5.047 -12.221 1.00 0.00 O ATOM 0 H GLY A 97 12.460 -6.002 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.156 -5.959 -9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.254 -4.209 -9.342 1.00 0.00 H new ATOM 1483 N ALA A 98 8.827 -5.185 -11.524 1.00 0.00 N ATOM 1484 CA ALA A 98 8.316 -5.190 -12.925 1.00 0.00 C ATOM 1485 C ALA A 98 7.281 -4.077 -13.103 1.00 0.00 C ATOM 1486 O ALA A 98 6.150 -4.192 -12.674 1.00 0.00 O ATOM 1487 CB ALA A 98 7.669 -6.543 -13.229 1.00 0.00 C ATOM 0 H ALA A 98 8.112 -5.242 -10.799 1.00 0.00 H new ATOM 0 HA ALA A 98 9.147 -5.021 -13.611 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.296 -6.546 -14.253 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.409 -7.335 -13.110 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.841 -6.713 -12.541 1.00 0.00 H new ATOM 1493 N PHE A 99 7.662 -3.003 -13.739 1.00 0.00 N ATOM 1494 CA PHE A 99 6.711 -1.877 -13.960 1.00 0.00 C ATOM 1495 C PHE A 99 7.480 -0.677 -14.512 1.00 0.00 C ATOM 1496 O PHE A 99 8.399 -0.178 -13.892 1.00 0.00 O ATOM 1497 CB PHE A 99 6.036 -1.493 -12.639 1.00 0.00 C ATOM 1498 CG PHE A 99 7.080 -1.266 -11.572 1.00 0.00 C ATOM 1499 CD1 PHE A 99 7.513 -2.332 -10.772 1.00 0.00 C ATOM 1500 CD2 PHE A 99 7.612 0.014 -11.377 1.00 0.00 C ATOM 1501 CE1 PHE A 99 8.479 -2.118 -9.781 1.00 0.00 C ATOM 1502 CE2 PHE A 99 8.576 0.228 -10.385 1.00 0.00 C ATOM 1503 CZ PHE A 99 9.009 -0.837 -9.587 1.00 0.00 C ATOM 0 H PHE A 99 8.598 -2.856 -14.118 1.00 0.00 H new ATOM 0 HA PHE A 99 5.944 -2.184 -14.671 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.440 -0.590 -12.774 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.352 -2.282 -12.328 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.101 -3.319 -10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.279 0.837 -11.992 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.815 -2.941 -9.167 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.986 1.216 -10.235 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.752 -0.671 -8.821 1.00 0.00 H new ATOM 1513 N ASP A 100 7.123 -0.213 -15.680 1.00 0.00 N ATOM 1514 CA ASP A 100 7.848 0.948 -16.270 1.00 0.00 C ATOM 1515 C ASP A 100 7.073 2.240 -16.006 1.00 0.00 C ATOM 1516 O ASP A 100 7.477 3.059 -15.206 1.00 0.00 O ATOM 1517 CB ASP A 100 7.999 0.744 -17.778 1.00 0.00 C ATOM 1518 CG ASP A 100 8.754 -0.561 -18.044 1.00 0.00 C ATOM 1519 OD1 ASP A 100 9.969 -0.552 -17.933 1.00 0.00 O ATOM 1520 OD2 ASP A 100 8.104 -1.545 -18.354 1.00 0.00 O ATOM 0 H ASP A 100 6.363 -0.587 -16.249 1.00 0.00 H new ATOM 0 HA ASP A 100 8.833 1.023 -15.810 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.018 0.712 -18.251 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.537 1.584 -18.217 1.00 0.00 H new ATOM 1525 N TYR A 101 5.970 2.439 -16.676 1.00 0.00 N ATOM 1526 CA TYR A 101 5.192 3.691 -16.457 1.00 0.00 C ATOM 1527 C TYR A 101 3.802 3.563 -17.091 1.00 0.00 C ATOM 1528 O TYR A 101 3.651 3.064 -18.188 1.00 0.00 O ATOM 1529 CB TYR A 101 5.935 4.863 -17.103 1.00 0.00 C ATOM 1530 CG TYR A 101 6.554 5.733 -16.034 1.00 0.00 C ATOM 1531 CD1 TYR A 101 5.765 6.235 -14.992 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.919 6.042 -16.089 1.00 0.00 C ATOM 1533 CE1 TYR A 101 6.341 7.047 -14.006 1.00 0.00 C ATOM 1534 CE2 TYR A 101 8.494 6.854 -15.105 1.00 0.00 C ATOM 1535 CZ TYR A 101 7.706 7.355 -14.063 1.00 0.00 C ATOM 1536 OH TYR A 101 8.274 8.155 -13.093 1.00 0.00 O ATOM 0 H TYR A 101 5.577 1.794 -17.361 1.00 0.00 H new ATOM 0 HA TYR A 101 5.082 3.863 -15.386 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.709 4.489 -17.773 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.246 5.452 -17.709 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.713 5.996 -14.948 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.528 5.653 -16.892 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.733 7.435 -13.202 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.546 7.094 -15.150 1.00 0.00 H new ATOM 0 HH TYR A 101 7.580 8.707 -12.676 1.00 0.00 H new ATOM 1546 N LEU A 102 2.789 4.025 -16.409 1.00 0.00 N ATOM 1547 CA LEU A 102 1.405 3.949 -16.963 1.00 0.00 C ATOM 1548 C LEU A 102 0.770 5.342 -16.884 1.00 0.00 C ATOM 1549 O LEU A 102 0.541 5.857 -15.808 1.00 0.00 O ATOM 1550 CB LEU A 102 0.576 2.957 -16.139 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.358 2.167 -17.061 1.00 0.00 C ATOM 1552 CD1 LEU A 102 0.187 0.750 -17.256 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.751 2.081 -16.431 1.00 0.00 C ATOM 0 H LEU A 102 2.860 4.454 -15.487 1.00 0.00 H new ATOM 0 HA LEU A 102 1.435 3.612 -17.999 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.236 2.274 -15.604 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.006 3.491 -15.388 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.419 2.674 -18.024 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.480 0.191 -17.912 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.179 0.800 -17.704 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.250 0.248 -16.290 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.414 1.519 -17.089 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.684 1.577 -15.467 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.149 3.086 -16.288 1.00 0.00 H new ATOM 1565 N PRO A 103 0.523 5.919 -18.031 1.00 0.00 N ATOM 1566 CA PRO A 103 -0.073 7.275 -18.030 1.00 0.00 C ATOM 1567 C PRO A 103 -1.563 7.225 -18.381 1.00 0.00 C ATOM 1568 O PRO A 103 -2.066 6.238 -18.880 1.00 0.00 O ATOM 1569 CB PRO A 103 0.708 8.035 -19.102 1.00 0.00 C ATOM 1570 CG PRO A 103 1.296 6.969 -20.047 1.00 0.00 C ATOM 1571 CD PRO A 103 1.308 5.647 -19.261 1.00 0.00 C ATOM 0 HA PRO A 103 -0.010 7.749 -17.051 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.057 8.719 -19.645 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.499 8.636 -18.654 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.694 6.877 -20.951 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.303 7.242 -20.361 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.863 4.839 -19.842 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.326 5.342 -19.019 1.00 0.00 H new ATOM 1579 N LYS A 104 -2.267 8.293 -18.123 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.725 8.332 -18.436 1.00 0.00 C ATOM 1581 C LYS A 104 -3.927 8.927 -19.835 1.00 0.00 C ATOM 1582 O LYS A 104 -3.051 9.595 -20.347 1.00 0.00 O ATOM 1583 CB LYS A 104 -4.444 9.201 -17.398 1.00 0.00 C ATOM 1584 CG LYS A 104 -3.598 10.435 -17.079 1.00 0.00 C ATOM 1585 CD LYS A 104 -4.480 11.508 -16.439 1.00 0.00 C ATOM 1586 CE LYS A 104 -3.599 12.566 -15.771 1.00 0.00 C ATOM 1587 NZ LYS A 104 -2.958 13.411 -16.817 1.00 0.00 N ATOM 0 H LYS A 104 -1.893 9.146 -17.706 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.134 7.322 -18.409 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.419 9.506 -17.778 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.622 8.626 -16.489 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.785 10.167 -16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.141 10.821 -17.990 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.112 11.972 -17.196 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.144 11.055 -15.703 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.199 13.186 -15.105 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.836 12.085 -15.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.359 14.130 -16.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.373 12.814 -17.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.694 13.880 -17.383 1.00 0.00 H new ATOM 1601 N PRO A 105 -5.076 8.671 -20.417 1.00 0.00 N ATOM 1602 CA PRO A 105 -6.105 7.847 -19.736 1.00 0.00 C ATOM 1603 C PRO A 105 -5.765 6.360 -19.855 1.00 0.00 C ATOM 1604 O PRO A 105 -5.022 5.949 -20.724 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.400 8.165 -20.481 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.984 8.686 -21.871 1.00 0.00 C ATOM 1607 CD PRO A 105 -5.523 9.151 -21.745 1.00 0.00 C ATOM 0 HA PRO A 105 -6.176 8.064 -18.670 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.025 7.277 -20.570 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.984 8.913 -19.944 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.078 7.902 -22.623 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.627 9.508 -22.185 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.907 8.735 -22.542 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.447 10.236 -21.818 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.307 5.552 -18.986 1.00 0.00 N ATOM 1616 CA PHE A 106 -6.021 4.091 -19.043 1.00 0.00 C ATOM 1617 C PHE A 106 -7.311 3.315 -18.772 1.00 0.00 C ATOM 1618 O PHE A 106 -8.152 3.742 -18.007 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.980 3.735 -17.980 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.599 3.861 -16.608 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.898 5.127 -16.088 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.875 2.713 -15.856 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -6.472 5.243 -14.816 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.448 2.829 -14.586 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.748 4.093 -14.065 1.00 0.00 C ATOM 0 H PHE A 106 -6.937 5.841 -18.238 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.637 3.830 -20.029 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.618 2.719 -18.136 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.118 4.397 -18.064 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -5.686 6.013 -16.668 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.645 1.737 -16.257 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.702 6.219 -14.414 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.659 1.943 -14.006 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.192 4.182 -13.085 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.475 2.177 -19.387 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.707 1.382 -19.156 1.00 0.00 C ATOM 1637 C ASP A 107 -8.501 0.497 -17.927 1.00 0.00 C ATOM 1638 O ASP A 107 -7.408 0.038 -17.660 1.00 0.00 O ATOM 1639 CB ASP A 107 -8.975 0.505 -20.376 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.474 0.220 -20.483 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.179 1.059 -21.021 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -10.892 -0.831 -20.027 1.00 0.00 O ATOM 0 H ASP A 107 -6.807 1.765 -20.039 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.556 2.047 -18.994 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.624 1.004 -21.279 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.422 -0.430 -20.293 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.536 0.253 -17.175 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.382 -0.603 -15.966 1.00 0.00 C ATOM 1649 C ILE A 108 -9.300 -2.066 -16.392 1.00 0.00 C ATOM 1650 O ILE A 108 -8.709 -2.886 -15.720 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.577 -0.390 -15.036 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.399 0.940 -14.306 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -10.651 -1.527 -14.012 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -11.514 1.903 -14.715 1.00 0.00 C ATOM 0 H ILE A 108 -10.478 0.607 -17.343 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.469 -0.334 -15.435 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.498 -0.378 -15.619 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.420 0.780 -13.228 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.427 1.371 -14.546 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.505 -1.368 -13.353 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.766 -2.478 -14.532 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.735 -1.545 -13.421 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.385 2.851 -14.193 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.472 2.072 -15.791 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -12.481 1.473 -14.453 1.00 0.00 H new ATOM 1666 N ASP A 109 -9.875 -2.397 -17.511 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.812 -3.797 -17.985 1.00 0.00 C ATOM 1668 C ASP A 109 -8.524 -3.968 -18.768 1.00 0.00 C ATOM 1669 O ASP A 109 -7.868 -4.986 -18.706 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.002 -4.055 -18.898 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.209 -5.560 -19.073 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.239 -6.243 -19.357 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -12.335 -6.005 -18.921 1.00 0.00 O ATOM 0 H ASP A 109 -10.386 -1.755 -18.117 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.838 -4.495 -17.148 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.900 -3.603 -18.476 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.835 -3.587 -19.868 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.147 -2.959 -19.489 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.882 -3.040 -20.257 1.00 0.00 C ATOM 1680 C GLU A 110 -5.748 -3.226 -19.251 1.00 0.00 C ATOM 1681 O GLU A 110 -4.851 -4.025 -19.439 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.686 -1.740 -21.039 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.407 -1.822 -21.870 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.307 -0.595 -22.776 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -5.395 0.507 -22.260 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -5.144 -0.776 -23.972 1.00 0.00 O ATOM 0 H GLU A 110 -8.659 -2.081 -19.581 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.900 -3.870 -20.963 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.542 -1.564 -21.690 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.630 -0.896 -20.351 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.538 -1.875 -21.214 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.409 -2.731 -22.471 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.807 -2.500 -18.164 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.773 -2.620 -17.115 1.00 0.00 C ATOM 1695 C ALA A 111 -4.952 -3.959 -16.385 1.00 0.00 C ATOM 1696 O ALA A 111 -4.116 -4.836 -16.458 1.00 0.00 O ATOM 1697 CB ALA A 111 -4.973 -1.473 -16.133 1.00 0.00 C ATOM 0 H ALA A 111 -6.542 -1.822 -17.964 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.773 -2.580 -17.548 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.223 -1.534 -15.345 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.871 -0.523 -16.658 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.968 -1.540 -15.693 1.00 0.00 H new ATOM 1703 N VAL A 112 -6.033 -4.102 -15.657 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.279 -5.358 -14.886 1.00 0.00 C ATOM 1705 C VAL A 112 -5.818 -6.587 -15.679 1.00 0.00 C ATOM 1706 O VAL A 112 -5.085 -7.417 -15.187 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.782 -5.473 -14.605 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -8.132 -6.904 -14.180 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -8.157 -4.511 -13.476 1.00 0.00 C ATOM 0 H VAL A 112 -6.762 -3.394 -15.564 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.715 -5.319 -13.954 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.334 -5.223 -15.511 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.202 -6.974 -13.983 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.864 -7.596 -14.978 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.579 -7.161 -13.276 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.225 -4.588 -13.272 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.596 -4.768 -12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.918 -3.490 -13.773 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.275 -6.716 -16.893 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.905 -7.899 -17.725 1.00 0.00 C ATOM 1721 C ALA A 113 -4.396 -7.936 -17.980 1.00 0.00 C ATOM 1722 O ALA A 113 -3.704 -8.807 -17.492 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.640 -7.819 -19.064 1.00 0.00 C ATOM 0 H ALA A 113 -6.895 -6.047 -17.350 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.189 -8.805 -17.190 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.374 -8.680 -19.677 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.716 -7.816 -18.889 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.354 -6.903 -19.582 1.00 0.00 H new ATOM 1729 N LEU A 114 -3.892 -7.017 -18.766 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.435 -6.998 -19.089 1.00 0.00 C ATOM 1731 C LEU A 114 -1.629 -7.466 -17.883 1.00 0.00 C ATOM 1732 O LEU A 114 -0.861 -8.404 -17.958 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.044 -5.568 -19.446 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.524 -5.463 -19.584 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.091 -6.061 -20.923 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.109 -3.991 -19.529 1.00 0.00 C ATOM 0 H LEU A 114 -4.436 -6.272 -19.201 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.229 -7.666 -19.925 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.524 -5.273 -20.379 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.396 -4.882 -18.675 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.047 -6.008 -18.770 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.992 -5.986 -21.022 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.388 -7.109 -20.967 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.568 -5.515 -21.737 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.974 -3.914 -19.627 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.587 -3.448 -20.344 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.418 -3.561 -18.576 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.812 -6.827 -16.767 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.075 -7.241 -15.547 1.00 0.00 C ATOM 1750 C VAL A 115 -1.342 -8.731 -15.303 1.00 0.00 C ATOM 1751 O VAL A 115 -0.431 -9.524 -15.192 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.559 -6.374 -14.364 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -2.006 -7.235 -13.173 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.420 -5.459 -13.916 1.00 0.00 C ATOM 0 H VAL A 115 -2.442 -6.034 -16.646 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.000 -7.097 -15.660 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.415 -5.790 -14.702 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.339 -6.588 -12.361 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.826 -7.884 -13.480 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.170 -7.845 -12.831 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.755 -4.844 -13.081 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.431 -6.064 -13.603 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.123 -4.816 -14.744 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.588 -9.102 -15.182 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.932 -10.529 -14.907 1.00 0.00 C ATOM 1766 C GLU A 116 -1.997 -11.470 -15.673 1.00 0.00 C ATOM 1767 O GLU A 116 -1.627 -12.519 -15.184 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.375 -10.789 -15.351 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.789 -12.201 -14.931 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.100 -13.035 -16.175 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -4.168 -13.565 -16.757 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -6.265 -13.129 -16.523 1.00 0.00 O ATOM 0 H GLU A 116 -3.388 -8.475 -15.262 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.821 -10.717 -13.839 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.043 -10.054 -14.903 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.460 -10.680 -16.432 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.990 -12.670 -14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.664 -12.157 -14.282 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.627 -11.118 -16.876 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.737 -12.016 -17.666 1.00 0.00 C ATOM 1781 C ARG A 117 0.728 -11.785 -17.280 1.00 0.00 C ATOM 1782 O ARG A 117 1.512 -12.712 -17.231 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.970 -11.776 -19.170 1.00 0.00 C ATOM 1784 CG ARG A 117 -0.093 -10.637 -19.699 1.00 0.00 C ATOM 1785 CD ARG A 117 0.992 -11.210 -20.614 1.00 0.00 C ATOM 1786 NE ARG A 117 0.799 -10.692 -21.998 1.00 0.00 N ATOM 1787 CZ ARG A 117 1.362 -11.298 -23.009 1.00 0.00 C ATOM 1788 NH1 ARG A 117 0.863 -12.415 -23.463 1.00 0.00 N ATOM 1789 NH2 ARG A 117 2.425 -10.784 -23.567 1.00 0.00 N ATOM 0 H ARG A 117 -1.901 -10.253 -17.343 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.975 -13.056 -17.444 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.754 -12.690 -19.723 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.020 -11.539 -19.343 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.703 -9.918 -20.246 1.00 0.00 H new ATOM 0 HG3 ARG A 117 0.364 -10.100 -18.868 1.00 0.00 H new ATOM 0 HD2 ARG A 117 1.979 -10.932 -20.244 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.947 -12.299 -20.612 1.00 0.00 H new ATOM 0 HE ARG A 117 0.226 -9.863 -22.156 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.032 -12.816 -23.028 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.304 -12.887 -24.253 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.815 -9.910 -23.213 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.866 -11.256 -24.356 1.00 0.00 H new ATOM 1803 N ALA A 118 1.108 -10.574 -16.986 1.00 0.00 N ATOM 1804 CA ALA A 118 2.519 -10.327 -16.587 1.00 0.00 C ATOM 1805 C ALA A 118 2.797 -11.102 -15.300 1.00 0.00 C ATOM 1806 O ALA A 118 3.663 -11.954 -15.252 1.00 0.00 O ATOM 1807 CB ALA A 118 2.729 -8.832 -16.344 1.00 0.00 C ATOM 0 H ALA A 118 0.507 -9.750 -17.005 1.00 0.00 H new ATOM 0 HA ALA A 118 3.196 -10.654 -17.376 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.764 -8.653 -16.052 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.509 -8.280 -17.258 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.064 -8.496 -15.549 1.00 0.00 H new ATOM 1813 N ILE A 119 2.060 -10.803 -14.262 1.00 0.00 N ATOM 1814 CA ILE A 119 2.242 -11.500 -12.958 1.00 0.00 C ATOM 1815 C ILE A 119 2.631 -12.962 -13.185 1.00 0.00 C ATOM 1816 O ILE A 119 3.469 -13.503 -12.493 1.00 0.00 O ATOM 1817 CB ILE A 119 0.915 -11.447 -12.205 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.402 -10.005 -12.187 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.119 -11.939 -10.767 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.764 -9.880 -11.205 1.00 0.00 C ATOM 0 H ILE A 119 1.328 -10.093 -14.265 1.00 0.00 H new ATOM 0 HA ILE A 119 3.034 -11.013 -12.388 1.00 0.00 H new ATOM 0 HB ILE A 119 0.187 -12.087 -12.703 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.206 -9.327 -11.899 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.080 -9.712 -13.186 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.171 -11.900 -10.231 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.486 -12.965 -10.782 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.846 -11.301 -10.264 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.124 -8.851 -11.197 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.571 -10.545 -11.512 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.428 -10.155 -10.205 1.00 0.00 H new ATOM 1832 N SER A 120 2.024 -13.607 -14.147 1.00 0.00 N ATOM 1833 CA SER A 120 2.364 -15.036 -14.410 1.00 0.00 C ATOM 1834 C SER A 120 3.578 -15.112 -15.341 1.00 0.00 C ATOM 1835 O SER A 120 3.547 -15.764 -16.366 1.00 0.00 O ATOM 1836 CB SER A 120 1.172 -15.732 -15.068 1.00 0.00 C ATOM 1837 OG SER A 120 1.200 -17.115 -14.744 1.00 0.00 O ATOM 0 H SER A 120 1.312 -13.208 -14.759 1.00 0.00 H new ATOM 0 HA SER A 120 2.599 -15.531 -13.468 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.239 -15.285 -14.724 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.210 -15.599 -16.149 1.00 0.00 H new ATOM 0 HG SER A 120 0.436 -17.565 -15.163 1.00 0.00 H new ATOM 1843 N HIS A 121 4.650 -14.452 -14.991 1.00 0.00 N ATOM 1844 CA HIS A 121 5.865 -14.488 -15.854 1.00 0.00 C ATOM 1845 C HIS A 121 6.832 -15.554 -15.334 1.00 0.00 C ATOM 1846 O HIS A 121 7.816 -15.877 -15.970 1.00 0.00 O ATOM 1847 CB HIS A 121 6.550 -13.119 -15.824 1.00 0.00 C ATOM 1848 CG HIS A 121 7.016 -12.823 -14.426 1.00 0.00 C ATOM 1849 ND1 HIS A 121 6.289 -12.024 -13.559 1.00 0.00 N ATOM 1850 CD2 HIS A 121 8.132 -13.215 -13.731 1.00 0.00 C ATOM 1851 CE1 HIS A 121 6.969 -11.961 -12.401 1.00 0.00 C ATOM 1852 NE2 HIS A 121 8.101 -12.669 -12.451 1.00 0.00 N ATOM 0 H HIS A 121 4.736 -13.890 -14.144 1.00 0.00 H new ATOM 0 HA HIS A 121 5.577 -14.730 -16.877 1.00 0.00 H new ATOM 0 HB2 HIS A 121 7.396 -13.109 -16.511 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.858 -12.347 -16.159 1.00 0.00 H new ATOM 0 HD2 HIS A 121 8.915 -13.850 -14.118 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.640 -11.405 -11.535 1.00 0.00 H new ATOM 0 HE2 HIS A 121 8.793 -12.784 -11.711 1.00 0.00 H new ATOM 1860 N TYR A 122 6.562 -16.102 -14.180 1.00 0.00 N ATOM 1861 CA TYR A 122 7.464 -17.144 -13.621 1.00 0.00 C ATOM 1862 C TYR A 122 7.360 -18.421 -14.457 1.00 0.00 C ATOM 1863 O TYR A 122 8.088 -19.370 -14.248 1.00 0.00 O ATOM 1864 CB TYR A 122 7.051 -17.445 -12.180 1.00 0.00 C ATOM 1865 CG TYR A 122 6.699 -16.160 -11.472 1.00 0.00 C ATOM 1866 CD1 TYR A 122 7.711 -15.353 -10.940 1.00 0.00 C ATOM 1867 CD2 TYR A 122 5.358 -15.777 -11.343 1.00 0.00 C ATOM 1868 CE1 TYR A 122 7.382 -14.163 -10.278 1.00 0.00 C ATOM 1869 CE2 TYR A 122 5.029 -14.588 -10.683 1.00 0.00 C ATOM 1870 CZ TYR A 122 6.040 -13.780 -10.150 1.00 0.00 C ATOM 1871 OH TYR A 122 5.716 -12.608 -9.497 1.00 0.00 O ATOM 0 H TYR A 122 5.754 -15.871 -13.601 1.00 0.00 H new ATOM 0 HA TYR A 122 8.492 -16.784 -13.643 1.00 0.00 H new ATOM 0 HB2 TYR A 122 6.197 -18.122 -12.170 1.00 0.00 H new ATOM 0 HB3 TYR A 122 7.863 -17.949 -11.657 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.745 -15.647 -11.040 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.577 -16.400 -11.753 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.163 -13.541 -9.866 1.00 0.00 H new ATOM 0 HE2 TYR A 122 3.995 -14.294 -10.585 1.00 0.00 H new ATOM 0 HH TYR A 122 4.743 -12.491 -9.498 1.00 0.00 H new ATOM 1881 N GLN A 123 6.462 -18.454 -15.404 1.00 0.00 N ATOM 1882 CA GLN A 123 6.318 -19.673 -16.248 1.00 0.00 C ATOM 1883 C GLN A 123 7.177 -19.534 -17.505 1.00 0.00 C ATOM 1884 O GLN A 123 6.704 -19.690 -18.613 1.00 0.00 O ATOM 1885 CB GLN A 123 4.852 -19.848 -16.646 1.00 0.00 C ATOM 1886 CG GLN A 123 4.239 -20.982 -15.825 1.00 0.00 C ATOM 1887 CD GLN A 123 3.736 -22.080 -16.763 1.00 0.00 C ATOM 1888 OE1 GLN A 123 4.510 -22.881 -17.248 1.00 0.00 O ATOM 1889 NE2 GLN A 123 2.463 -22.152 -17.042 1.00 0.00 N ATOM 0 H GLN A 123 5.823 -17.691 -15.629 1.00 0.00 H new ATOM 0 HA GLN A 123 6.647 -20.545 -15.682 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.303 -18.922 -16.475 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.776 -20.071 -17.710 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.980 -21.389 -15.137 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.416 -20.602 -15.219 1.00 0.00 H new ATOM 0 HE21 GLN A 123 1.813 -21.480 -16.635 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.118 -22.881 -17.667 1.00 0.00 H new ATOM 1898 N GLU A 124 8.438 -19.242 -17.343 1.00 0.00 N ATOM 1899 CA GLU A 124 9.325 -19.096 -18.532 1.00 0.00 C ATOM 1900 C GLU A 124 10.239 -20.318 -18.637 1.00 0.00 C ATOM 1901 O GLU A 124 10.757 -20.735 -17.615 1.00 0.00 O ATOM 1902 CB GLU A 124 10.176 -17.834 -18.379 1.00 0.00 C ATOM 1903 CG GLU A 124 10.743 -17.434 -19.743 1.00 0.00 C ATOM 1904 CD GLU A 124 11.336 -16.027 -19.660 1.00 0.00 C ATOM 1905 OE1 GLU A 124 10.569 -15.079 -19.674 1.00 0.00 O ATOM 1906 OE2 GLU A 124 12.550 -15.920 -19.583 1.00 0.00 O ATOM 1907 OXT GLU A 124 10.404 -20.816 -19.738 1.00 0.00 O ATOM 0 H GLU A 124 8.892 -19.098 -16.441 1.00 0.00 H new ATOM 0 HA GLU A 124 8.717 -19.018 -19.434 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.573 -17.023 -17.972 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.988 -18.013 -17.674 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.509 -18.145 -20.052 1.00 0.00 H new ATOM 0 HG3 GLU A 124 9.957 -17.464 -20.498 1.00 0.00 H new