USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 918 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 95 GLN : amide:sc= -0.944 K(o=-3.4,f=-5.4!) USER MOD Set 1.2: A 96 GLN : amide:sc= -2.49 K(o=-3.4,f=-4.8!) USER MOD Set 2.1: A 81 MET CE :methyl 147:sc= 0 (180deg=-1.4!) USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 67 LYS NZ :NH3+ -174:sc= 0.406 (180deg=0) USER MOD Set 3.2: A 68 GLN :FLIP amide:sc= 0.382 F(o=-1,f=0.79) USER MOD Single : A 13 SER OG : rot 180:sc= 0.36! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 148:sc= -1.63 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -40:sc= -2.16 USER MOD Single : A 35 ASN : amide:sc= -0.208 K(o=-0.21,f=-3!) USER MOD Single : A 37 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.054) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 56:sc= -3.45 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0779 (180deg=-0.323) USER MOD Single : A 71 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.36) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -10.7! C(o=-14!,f=-11!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -2.31! X(o=-2.3!,f=-1.9) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 80:sc= 0.0935 USER MOD Single : A 94 TYR OH : rot 59:sc= -0.376! USER MOD Single : A 101 TYR OH : rot -137:sc= -1.69 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 121 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 12.766 -13.080 0.464 1.00 0.00 N ATOM 38 CA ARG A 3 13.292 -11.973 -0.327 1.00 0.00 C ATOM 39 C ARG A 3 12.730 -10.640 0.148 1.00 0.00 C ATOM 40 O ARG A 3 13.478 -9.713 0.463 1.00 0.00 O ATOM 41 CB ARG A 3 13.001 -12.179 -1.819 1.00 0.00 C ATOM 42 CG ARG A 3 11.561 -12.560 -2.125 1.00 0.00 C ATOM 43 CD ARG A 3 11.477 -13.743 -3.077 1.00 0.00 C ATOM 44 NE ARG A 3 11.465 -13.321 -4.478 1.00 0.00 N ATOM 45 CZ ARG A 3 10.617 -13.789 -5.394 1.00 0.00 C ATOM 46 NH1 ARG A 3 9.711 -14.705 -5.074 1.00 0.00 N ATOM 47 NH2 ARG A 3 10.678 -13.342 -6.639 1.00 0.00 N ATOM 0 HA ARG A 3 14.373 -11.952 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.245 -11.262 -2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.661 -12.957 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.045 -12.804 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.044 -11.705 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.325 -14.407 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.575 -14.316 -2.864 1.00 0.00 H new ATOM 0 HE ARG A 3 12.149 -12.624 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.658 -15.058 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.067 -15.055 -5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.373 -12.641 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.030 -13.699 -7.341 1.00 0.00 H new ATOM 61 N GLY A 4 11.413 -10.551 0.194 1.00 0.00 N ATOM 62 CA GLY A 4 10.762 -9.329 0.629 1.00 0.00 C ATOM 63 C GLY A 4 10.357 -8.456 -0.538 1.00 0.00 C ATOM 64 O GLY A 4 11.194 -7.779 -1.135 1.00 0.00 O ATOM 0 H GLY A 4 10.777 -11.306 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.880 -9.578 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.435 -8.773 1.282 1.00 0.00 H new ATOM 68 N ILE A 5 9.073 -8.479 -0.875 1.00 0.00 N ATOM 69 CA ILE A 5 8.575 -7.688 -1.991 1.00 0.00 C ATOM 70 C ILE A 5 7.623 -6.599 -1.528 1.00 0.00 C ATOM 71 O ILE A 5 6.528 -6.880 -1.043 1.00 0.00 O ATOM 72 CB ILE A 5 7.847 -8.562 -3.025 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.588 -9.883 -3.227 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.710 -7.817 -4.345 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.059 -9.705 -3.526 1.00 0.00 C ATOM 0 H ILE A 5 8.363 -9.033 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 5 9.451 -7.232 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 5 6.848 -8.785 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.478 -10.494 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.122 -10.431 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.193 -8.449 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.139 -6.902 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.700 -7.566 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.524 -10.682 -3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.177 -9.121 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.538 -9.184 -2.697 1.00 0.00 H new ATOM 87 N VAL A 6 8.039 -5.355 -1.701 1.00 0.00 N ATOM 88 CA VAL A 6 7.211 -4.224 -1.325 1.00 0.00 C ATOM 89 C VAL A 6 6.801 -3.440 -2.564 1.00 0.00 C ATOM 90 O VAL A 6 7.648 -2.932 -3.297 1.00 0.00 O ATOM 91 CB VAL A 6 7.930 -3.276 -0.353 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.291 -2.882 -0.911 1.00 0.00 C ATOM 93 CG2 VAL A 6 7.053 -2.060 -0.080 1.00 0.00 C ATOM 0 H VAL A 6 8.944 -5.104 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 6 6.332 -4.627 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 6 8.103 -3.785 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.790 -2.210 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.899 -3.776 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.160 -2.378 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.565 -1.389 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.855 -1.537 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.110 -2.383 0.361 1.00 0.00 H new ATOM 103 N TRP A 7 5.502 -3.345 -2.795 1.00 0.00 N ATOM 104 CA TRP A 7 4.996 -2.625 -3.949 1.00 0.00 C ATOM 105 C TRP A 7 4.255 -1.371 -3.517 1.00 0.00 C ATOM 106 O TRP A 7 3.594 -1.351 -2.479 1.00 0.00 O ATOM 107 CB TRP A 7 4.101 -3.539 -4.782 1.00 0.00 C ATOM 108 CG TRP A 7 4.890 -4.526 -5.592 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.242 -4.719 -5.548 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.385 -5.450 -6.561 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.611 -5.693 -6.439 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.489 -6.161 -7.072 1.00 0.00 C ATOM 113 CE3 TRP A 7 3.109 -5.743 -7.050 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.353 -7.147 -8.046 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.977 -6.722 -8.018 1.00 0.00 C ATOM 116 CH2 TRP A 7 4.093 -7.414 -8.506 1.00 0.00 C ATOM 0 H TRP A 7 4.782 -3.756 -2.201 1.00 0.00 H new ATOM 0 HA TRP A 7 5.837 -2.313 -4.568 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.420 -4.076 -4.122 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.487 -2.933 -5.449 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.922 -4.181 -4.904 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.564 -6.016 -6.604 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.243 -5.215 -6.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.212 -7.682 -8.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.996 -6.957 -8.404 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.956 -8.174 -9.261 1.00 0.00 H new ATOM 127 N VAL A 8 4.391 -0.314 -4.306 1.00 0.00 N ATOM 128 CA VAL A 8 3.751 0.951 -3.984 1.00 0.00 C ATOM 129 C VAL A 8 2.964 1.494 -5.164 1.00 0.00 C ATOM 130 O VAL A 8 3.429 1.480 -6.298 1.00 0.00 O ATOM 131 CB VAL A 8 4.777 2.019 -3.542 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.182 2.904 -2.458 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.076 1.381 -3.066 1.00 0.00 C ATOM 0 H VAL A 8 4.936 -0.308 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 8 3.071 0.744 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 8 5.014 2.637 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.915 3.652 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.292 3.403 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.911 2.293 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.775 2.161 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.871 0.728 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.513 0.797 -3.876 1.00 0.00 H new ATOM 143 N VAL A 9 1.773 1.991 -4.885 1.00 0.00 N ATOM 144 CA VAL A 9 0.929 2.562 -5.918 1.00 0.00 C ATOM 145 C VAL A 9 0.729 4.044 -5.652 1.00 0.00 C ATOM 146 O VAL A 9 0.077 4.427 -4.679 1.00 0.00 O ATOM 147 CB VAL A 9 -0.432 1.853 -5.989 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.302 0.529 -6.722 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.993 1.641 -4.597 1.00 0.00 C ATOM 0 H VAL A 9 1.368 2.011 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 9 1.427 2.424 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.124 2.486 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.275 0.039 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.058 0.708 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.404 -0.111 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.957 1.138 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.304 1.027 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.122 2.605 -4.106 1.00 0.00 H new ATOM 159 N ASP A 10 1.324 4.876 -6.495 1.00 0.00 N ATOM 160 CA ASP A 10 1.241 6.317 -6.320 1.00 0.00 C ATOM 161 C ASP A 10 1.653 7.052 -7.593 1.00 0.00 C ATOM 162 O ASP A 10 1.633 6.487 -8.684 1.00 0.00 O ATOM 163 CB ASP A 10 2.144 6.719 -5.152 1.00 0.00 C ATOM 164 CG ASP A 10 3.547 6.176 -5.318 1.00 0.00 C ATOM 165 OD1 ASP A 10 4.239 6.605 -6.263 1.00 0.00 O ATOM 166 OD2 ASP A 10 3.946 5.310 -4.513 1.00 0.00 O ATOM 0 H ASP A 10 1.868 4.578 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 10 0.209 6.595 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.181 7.806 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.719 6.350 -4.219 1.00 0.00 H new ATOM 171 N ASP A 11 2.030 8.317 -7.446 1.00 0.00 N ATOM 172 CA ASP A 11 2.439 9.132 -8.582 1.00 0.00 C ATOM 173 C ASP A 11 3.742 8.624 -9.208 1.00 0.00 C ATOM 174 O ASP A 11 4.195 9.156 -10.222 1.00 0.00 O ATOM 175 CB ASP A 11 2.614 10.584 -8.138 1.00 0.00 C ATOM 176 CG ASP A 11 1.306 11.350 -8.145 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.272 10.764 -7.764 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.315 12.538 -8.535 1.00 0.00 O ATOM 0 H ASP A 11 2.061 8.801 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 11 1.657 9.065 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.040 10.606 -7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.326 11.080 -8.798 1.00 0.00 H new ATOM 183 N ASP A 12 4.334 7.587 -8.613 1.00 0.00 N ATOM 184 CA ASP A 12 5.573 7.011 -9.131 1.00 0.00 C ATOM 185 C ASP A 12 6.739 7.998 -9.008 1.00 0.00 C ATOM 186 O ASP A 12 6.735 8.863 -8.132 1.00 0.00 O ATOM 187 CB ASP A 12 5.379 6.592 -10.594 1.00 0.00 C ATOM 188 CG ASP A 12 5.994 5.241 -10.896 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.200 5.196 -11.220 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.270 4.227 -10.810 1.00 0.00 O ATOM 0 H ASP A 12 3.975 7.131 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 12 5.818 6.132 -8.535 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.314 6.562 -10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.823 7.344 -11.246 1.00 0.00 H new ATOM 195 N SER A 13 7.720 7.870 -9.904 1.00 0.00 N ATOM 196 CA SER A 13 8.880 8.745 -9.934 1.00 0.00 C ATOM 197 C SER A 13 9.340 9.193 -8.543 1.00 0.00 C ATOM 198 O SER A 13 10.106 8.494 -7.879 1.00 0.00 O ATOM 199 CB SER A 13 8.552 9.934 -10.823 1.00 0.00 C ATOM 200 OG SER A 13 7.605 10.792 -10.212 1.00 0.00 O ATOM 0 H SER A 13 7.726 7.152 -10.629 1.00 0.00 H new ATOM 0 HA SER A 13 9.723 8.187 -10.340 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.464 10.491 -11.039 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.162 9.580 -11.777 1.00 0.00 H new ATOM 0 HG SER A 13 7.416 11.547 -10.807 1.00 0.00 H new ATOM 206 N SER A 14 8.887 10.366 -8.120 1.00 0.00 N ATOM 207 CA SER A 14 9.268 10.916 -6.823 1.00 0.00 C ATOM 208 C SER A 14 9.015 9.925 -5.693 1.00 0.00 C ATOM 209 O SER A 14 9.945 9.528 -4.994 1.00 0.00 O ATOM 210 CB SER A 14 8.512 12.215 -6.548 1.00 0.00 C ATOM 211 OG SER A 14 9.103 12.928 -5.475 1.00 0.00 O ATOM 0 H SER A 14 8.253 10.958 -8.657 1.00 0.00 H new ATOM 0 HA SER A 14 10.338 11.121 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.509 12.835 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.472 11.992 -6.312 1.00 0.00 H new ATOM 0 HG SER A 14 8.603 13.756 -5.318 1.00 0.00 H new ATOM 217 N ILE A 15 7.759 9.528 -5.516 1.00 0.00 N ATOM 218 CA ILE A 15 7.411 8.586 -4.460 1.00 0.00 C ATOM 219 C ILE A 15 8.141 7.261 -4.649 1.00 0.00 C ATOM 220 O ILE A 15 8.369 6.527 -3.688 1.00 0.00 O ATOM 221 CB ILE A 15 5.890 8.320 -4.389 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.097 9.626 -4.527 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.534 7.615 -3.084 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.247 10.560 -3.346 1.00 0.00 C ATOM 0 H ILE A 15 6.972 9.841 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 15 7.722 9.047 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 15 5.620 7.671 -5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.421 10.143 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.042 9.387 -4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.460 7.435 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.063 6.664 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.824 8.242 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.657 11.461 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.896 10.063 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.296 10.830 -3.227 1.00 0.00 H new ATOM 236 N ARG A 16 8.517 6.961 -5.889 1.00 0.00 N ATOM 237 CA ARG A 16 9.232 5.723 -6.181 1.00 0.00 C ATOM 238 C ARG A 16 10.658 5.788 -5.645 1.00 0.00 C ATOM 239 O ARG A 16 11.104 4.891 -4.932 1.00 0.00 O ATOM 240 CB ARG A 16 9.260 5.433 -7.689 1.00 0.00 C ATOM 241 CG ARG A 16 10.076 4.197 -8.055 1.00 0.00 C ATOM 242 CD ARG A 16 11.021 4.461 -9.221 1.00 0.00 C ATOM 243 NE ARG A 16 10.308 4.782 -10.457 1.00 0.00 N ATOM 244 CZ ARG A 16 10.246 3.977 -11.519 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.803 2.771 -11.492 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.613 4.377 -12.614 1.00 0.00 N ATOM 0 H ARG A 16 8.340 7.552 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 16 8.697 4.913 -5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.238 5.303 -8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.671 6.298 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.652 3.873 -7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.401 3.381 -8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.687 5.285 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.647 3.583 -9.384 1.00 0.00 H new ATOM 0 HE ARG A 16 9.827 5.680 -10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.285 2.451 -10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.748 2.165 -12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.175 5.298 -12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.564 3.764 -13.428 1.00 0.00 H new ATOM 260 N TRP A 17 11.370 6.851 -6.000 1.00 0.00 N ATOM 261 CA TRP A 17 12.749 7.022 -5.560 1.00 0.00 C ATOM 262 C TRP A 17 12.859 7.054 -4.040 1.00 0.00 C ATOM 263 O TRP A 17 13.814 6.531 -3.469 1.00 0.00 O ATOM 264 CB TRP A 17 13.359 8.299 -6.139 1.00 0.00 C ATOM 265 CG TRP A 17 14.839 8.364 -5.927 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.794 7.680 -6.621 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.536 9.137 -4.940 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.041 7.981 -6.131 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.910 8.873 -5.099 1.00 0.00 C ATOM 270 CE3 TRP A 17 15.133 10.026 -3.938 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.880 9.465 -4.296 1.00 0.00 C ATOM 272 CZ3 TRP A 17 16.099 10.614 -3.142 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.458 10.330 -3.325 1.00 0.00 C ATOM 0 H TRP A 17 11.017 7.605 -6.589 1.00 0.00 H new ATOM 0 HA TRP A 17 13.304 6.159 -5.930 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.144 8.351 -7.206 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.889 9.167 -5.676 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.598 7.001 -7.437 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.922 7.602 -6.479 1.00 0.00 H new ATOM 0 HE3 TRP A 17 14.087 10.249 -3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.929 9.249 -4.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.800 11.304 -2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 17 18.188 10.804 -2.686 1.00 0.00 H new ATOM 284 N VAL A 18 11.894 7.689 -3.389 1.00 0.00 N ATOM 285 CA VAL A 18 11.910 7.807 -1.937 1.00 0.00 C ATOM 286 C VAL A 18 11.758 6.461 -1.242 1.00 0.00 C ATOM 287 O VAL A 18 12.560 6.098 -0.381 1.00 0.00 O ATOM 288 CB VAL A 18 10.800 8.747 -1.433 1.00 0.00 C ATOM 289 CG1 VAL A 18 10.977 9.036 0.046 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.773 10.042 -2.225 1.00 0.00 C ATOM 0 H VAL A 18 11.093 8.129 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 18 12.886 8.223 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 18 9.845 8.243 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.183 9.702 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.931 8.103 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.944 9.511 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.979 10.684 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.731 10.551 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.590 9.822 -3.277 1.00 0.00 H new ATOM 300 N LEU A 19 10.708 5.746 -1.595 1.00 0.00 N ATOM 301 CA LEU A 19 10.418 4.455 -0.983 1.00 0.00 C ATOM 302 C LEU A 19 11.321 3.343 -1.503 1.00 0.00 C ATOM 303 O LEU A 19 11.545 2.355 -0.810 1.00 0.00 O ATOM 304 CB LEU A 19 8.950 4.077 -1.206 1.00 0.00 C ATOM 305 CG LEU A 19 8.132 3.834 0.069 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.702 2.668 0.862 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.085 5.093 0.922 1.00 0.00 C ATOM 0 H LEU A 19 10.036 6.035 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 19 10.614 4.562 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.471 4.871 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.913 3.176 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 19 7.113 3.579 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.106 2.514 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.677 1.766 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.732 2.888 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.501 4.901 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.098 5.381 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.622 5.900 0.354 1.00 0.00 H new ATOM 319 N GLU A 20 11.826 3.483 -2.720 1.00 0.00 N ATOM 320 CA GLU A 20 12.679 2.447 -3.293 1.00 0.00 C ATOM 321 C GLU A 20 14.015 2.339 -2.569 1.00 0.00 C ATOM 322 O GLU A 20 14.351 1.290 -2.022 1.00 0.00 O ATOM 323 CB GLU A 20 12.895 2.659 -4.799 1.00 0.00 C ATOM 324 CG GLU A 20 13.854 3.777 -5.172 1.00 0.00 C ATOM 325 CD GLU A 20 13.924 3.999 -6.669 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.856 4.129 -7.298 1.00 0.00 O ATOM 327 OE2 GLU A 20 15.049 4.042 -7.212 1.00 0.00 O ATOM 0 H GLU A 20 11.665 4.289 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 20 12.153 1.502 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.264 1.728 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.929 2.863 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.540 4.700 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.849 3.540 -4.795 1.00 0.00 H new ATOM 334 N ARG A 21 14.773 3.417 -2.582 1.00 0.00 N ATOM 335 CA ARG A 21 16.082 3.441 -1.944 1.00 0.00 C ATOM 336 C ARG A 21 15.998 3.102 -0.458 1.00 0.00 C ATOM 337 O ARG A 21 16.670 2.184 0.013 1.00 0.00 O ATOM 338 CB ARG A 21 16.733 4.811 -2.135 1.00 0.00 C ATOM 339 CG ARG A 21 17.084 5.116 -3.585 1.00 0.00 C ATOM 340 CD ARG A 21 18.587 5.230 -3.780 1.00 0.00 C ATOM 341 NE ARG A 21 19.181 6.199 -2.864 1.00 0.00 N ATOM 342 CZ ARG A 21 20.490 6.334 -2.674 1.00 0.00 C ATOM 343 NH1 ARG A 21 21.349 5.563 -3.331 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.943 7.245 -1.823 1.00 0.00 N ATOM 0 H ARG A 21 14.507 4.294 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 21 16.696 2.677 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.058 5.581 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.639 4.862 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.691 4.330 -4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.605 6.047 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.048 4.254 -3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.799 5.524 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 21 18.555 6.809 -2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 21 21.006 4.861 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 21 22.352 5.673 -3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.288 7.840 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.947 7.351 -1.675 1.00 0.00 H new ATOM 358 N ALA A 22 15.187 3.850 0.281 1.00 0.00 N ATOM 359 CA ALA A 22 15.044 3.624 1.716 1.00 0.00 C ATOM 360 C ALA A 22 14.691 2.183 2.033 1.00 0.00 C ATOM 361 O ALA A 22 15.329 1.549 2.874 1.00 0.00 O ATOM 362 CB ALA A 22 14.015 4.574 2.307 1.00 0.00 C ATOM 0 H ALA A 22 14.621 4.615 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 22 16.011 3.827 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.923 4.390 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.333 5.603 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.051 4.411 1.826 1.00 0.00 H new ATOM 368 N LEU A 23 13.682 1.665 1.360 1.00 0.00 N ATOM 369 CA LEU A 23 13.269 0.288 1.581 1.00 0.00 C ATOM 370 C LEU A 23 14.323 -0.665 1.052 1.00 0.00 C ATOM 371 O LEU A 23 14.501 -1.767 1.569 1.00 0.00 O ATOM 372 CB LEU A 23 11.918 -0.006 0.934 1.00 0.00 C ATOM 373 CG LEU A 23 10.737 -0.078 1.902 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.466 -0.436 1.152 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.010 -1.092 3.005 1.00 0.00 C ATOM 0 H LEU A 23 13.136 2.169 0.661 1.00 0.00 H new ATOM 0 HA LEU A 23 13.160 0.142 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.713 0.765 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.987 -0.953 0.399 1.00 0.00 H new ATOM 0 HG LEU A 23 10.605 0.901 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.632 -0.484 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.263 0.324 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.590 -1.405 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.158 -1.129 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.165 -2.077 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.902 -0.797 3.558 1.00 0.00 H new ATOM 387 N ALA A 24 15.048 -0.225 0.031 1.00 0.00 N ATOM 388 CA ALA A 24 16.106 -1.042 -0.530 1.00 0.00 C ATOM 389 C ALA A 24 17.141 -1.303 0.548 1.00 0.00 C ATOM 390 O ALA A 24 17.711 -2.391 0.630 1.00 0.00 O ATOM 391 CB ALA A 24 16.734 -0.367 -1.740 1.00 0.00 C ATOM 0 H ALA A 24 14.922 0.682 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 24 15.691 -1.990 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.524 -1.001 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.973 -0.209 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.155 0.593 -1.443 1.00 0.00 H new ATOM 397 N GLY A 25 17.346 -0.305 1.411 1.00 0.00 N ATOM 398 CA GLY A 25 18.277 -0.473 2.504 1.00 0.00 C ATOM 399 C GLY A 25 17.821 -1.588 3.421 1.00 0.00 C ATOM 400 O GLY A 25 18.634 -2.253 4.064 1.00 0.00 O ATOM 0 H GLY A 25 16.886 0.605 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.269 -0.698 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.359 0.457 3.066 1.00 0.00 H new ATOM 404 N ALA A 26 16.503 -1.802 3.464 1.00 0.00 N ATOM 405 CA ALA A 26 15.924 -2.850 4.286 1.00 0.00 C ATOM 406 C ALA A 26 16.077 -4.213 3.617 1.00 0.00 C ATOM 407 O ALA A 26 15.947 -5.250 4.270 1.00 0.00 O ATOM 408 CB ALA A 26 14.456 -2.558 4.559 1.00 0.00 C ATOM 0 H ALA A 26 15.821 -1.258 2.935 1.00 0.00 H new ATOM 0 HA ALA A 26 16.460 -2.873 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.036 -3.352 5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.366 -1.606 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.914 -2.507 3.615 1.00 0.00 H new ATOM 414 N GLY A 27 16.381 -4.209 2.318 1.00 0.00 N ATOM 415 CA GLY A 27 16.575 -5.458 1.603 1.00 0.00 C ATOM 416 C GLY A 27 15.331 -5.982 0.899 1.00 0.00 C ATOM 417 O GLY A 27 15.206 -7.192 0.706 1.00 0.00 O ATOM 0 H GLY A 27 16.495 -3.367 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.364 -5.320 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.925 -6.214 2.306 1.00 0.00 H new ATOM 421 N LEU A 28 14.403 -5.103 0.510 1.00 0.00 N ATOM 422 CA LEU A 28 13.189 -5.558 -0.169 1.00 0.00 C ATOM 423 C LEU A 28 13.074 -4.991 -1.581 1.00 0.00 C ATOM 424 O LEU A 28 13.794 -4.065 -1.956 1.00 0.00 O ATOM 425 CB LEU A 28 11.929 -5.192 0.623 1.00 0.00 C ATOM 426 CG LEU A 28 12.122 -5.000 2.126 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.463 -3.557 2.427 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.872 -5.427 2.880 1.00 0.00 C ATOM 0 H LEU A 28 14.466 -4.095 0.650 1.00 0.00 H new ATOM 0 HA LEU A 28 13.269 -6.643 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.516 -4.272 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.185 -5.974 0.468 1.00 0.00 H new ATOM 0 HG LEU A 28 12.950 -5.627 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.598 -3.432 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.384 -3.286 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.653 -2.913 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.026 -5.284 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.025 -4.824 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.668 -6.479 2.680 1.00 0.00 H new ATOM 440 N THR A 29 12.145 -5.553 -2.353 1.00 0.00 N ATOM 441 CA THR A 29 11.904 -5.108 -3.723 1.00 0.00 C ATOM 442 C THR A 29 10.883 -3.977 -3.730 1.00 0.00 C ATOM 443 O THR A 29 9.739 -4.159 -3.316 1.00 0.00 O ATOM 444 CB THR A 29 11.408 -6.271 -4.588 1.00 0.00 C ATOM 445 OG1 THR A 29 12.377 -7.304 -4.643 1.00 0.00 O ATOM 446 CG2 THR A 29 11.087 -5.870 -6.013 1.00 0.00 C ATOM 0 H THR A 29 11.545 -6.320 -2.050 1.00 0.00 H new ATOM 0 HA THR A 29 12.843 -4.744 -4.141 1.00 0.00 H new ATOM 0 HB THR A 29 10.490 -6.612 -4.109 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.041 -8.038 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.742 -6.743 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.306 -5.110 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.982 -5.469 -6.488 1.00 0.00 H new ATOM 454 N CYS A 30 11.312 -2.809 -4.183 1.00 0.00 N ATOM 455 CA CYS A 30 10.447 -1.636 -4.223 1.00 0.00 C ATOM 456 C CYS A 30 10.061 -1.268 -5.656 1.00 0.00 C ATOM 457 O CYS A 30 10.893 -0.786 -6.422 1.00 0.00 O ATOM 458 CB CYS A 30 11.158 -0.451 -3.577 1.00 0.00 C ATOM 459 SG CYS A 30 12.190 -0.887 -2.157 1.00 0.00 S ATOM 0 H CYS A 30 12.257 -2.646 -4.530 1.00 0.00 H new ATOM 0 HA CYS A 30 9.536 -1.876 -3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.780 0.038 -4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.411 0.277 -3.259 1.00 0.00 H new ATOM 0 HG CYS A 30 13.212 -0.086 -2.101 1.00 0.00 H new ATOM 465 N THR A 31 8.793 -1.467 -6.004 1.00 0.00 N ATOM 466 CA THR A 31 8.308 -1.120 -7.337 1.00 0.00 C ATOM 467 C THR A 31 7.033 -0.288 -7.205 1.00 0.00 C ATOM 468 O THR A 31 6.162 -0.608 -6.395 1.00 0.00 O ATOM 469 CB THR A 31 8.056 -2.379 -8.185 1.00 0.00 C ATOM 470 OG1 THR A 31 8.068 -2.054 -9.567 1.00 0.00 O ATOM 471 CG2 THR A 31 6.731 -3.052 -7.905 1.00 0.00 C ATOM 0 H THR A 31 8.086 -1.864 -5.386 1.00 0.00 H new ATOM 0 HA THR A 31 9.071 -0.534 -7.850 1.00 0.00 H new ATOM 0 HB THR A 31 8.858 -3.065 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.908 -2.864 -10.095 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.628 -3.931 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.691 -3.355 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.918 -2.356 -8.113 1.00 0.00 H new ATOM 479 N THR A 32 6.926 0.787 -7.978 1.00 0.00 N ATOM 480 CA THR A 32 5.753 1.648 -7.902 1.00 0.00 C ATOM 481 C THR A 32 4.900 1.558 -9.159 1.00 0.00 C ATOM 482 O THR A 32 5.326 1.025 -10.183 1.00 0.00 O ATOM 483 CB THR A 32 6.149 3.098 -7.639 1.00 0.00 C ATOM 484 OG1 THR A 32 6.777 3.667 -8.775 1.00 0.00 O ATOM 485 CG2 THR A 32 7.082 3.251 -6.455 1.00 0.00 C ATOM 0 H THR A 32 7.629 1.080 -8.657 1.00 0.00 H new ATOM 0 HA THR A 32 5.154 1.291 -7.064 1.00 0.00 H new ATOM 0 HB THR A 32 5.218 3.619 -7.415 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.375 3.007 -9.183 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.327 4.304 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.595 2.873 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.996 2.686 -6.637 1.00 0.00 H new ATOM 493 N PHE A 33 3.675 2.054 -9.048 1.00 0.00 N ATOM 494 CA PHE A 33 2.721 2.011 -10.145 1.00 0.00 C ATOM 495 C PHE A 33 1.981 3.341 -10.290 1.00 0.00 C ATOM 496 O PHE A 33 2.105 4.222 -9.442 1.00 0.00 O ATOM 497 CB PHE A 33 1.733 0.877 -9.898 1.00 0.00 C ATOM 498 CG PHE A 33 2.396 -0.464 -9.704 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.211 -0.699 -8.608 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.202 -1.490 -10.615 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.821 -1.924 -8.427 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.805 -2.718 -10.438 1.00 0.00 C ATOM 503 CZ PHE A 33 3.616 -2.939 -9.347 1.00 0.00 C ATOM 0 H PHE A 33 3.317 2.494 -8.200 1.00 0.00 H new ATOM 0 HA PHE A 33 3.261 1.835 -11.076 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.137 1.110 -9.016 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.044 0.815 -10.741 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.371 0.087 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.570 -1.326 -11.475 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.457 -2.091 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.641 -3.508 -11.156 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.090 -3.900 -9.209 1.00 0.00 H new ATOM 513 N GLU A 34 1.198 3.476 -11.361 1.00 0.00 N ATOM 514 CA GLU A 34 0.430 4.698 -11.592 1.00 0.00 C ATOM 515 C GLU A 34 -0.591 4.889 -10.475 1.00 0.00 C ATOM 516 O GLU A 34 -0.923 6.012 -10.093 1.00 0.00 O ATOM 517 CB GLU A 34 -0.289 4.637 -12.954 1.00 0.00 C ATOM 518 CG GLU A 34 -1.571 3.801 -12.961 1.00 0.00 C ATOM 519 CD GLU A 34 -1.453 2.537 -13.784 1.00 0.00 C ATOM 520 OE1 GLU A 34 -0.617 2.506 -14.711 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.201 1.576 -13.496 1.00 0.00 O ATOM 0 H GLU A 34 1.080 2.759 -12.077 1.00 0.00 H new ATOM 0 HA GLU A 34 1.118 5.544 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.531 5.652 -13.268 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.399 4.230 -13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.830 3.537 -11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.390 4.406 -13.351 1.00 0.00 H new ATOM 528 N ASN A 35 -1.081 3.767 -9.967 1.00 0.00 N ATOM 529 CA ASN A 35 -2.067 3.747 -8.899 1.00 0.00 C ATOM 530 C ASN A 35 -2.408 2.300 -8.566 1.00 0.00 C ATOM 531 O ASN A 35 -1.998 1.386 -9.281 1.00 0.00 O ATOM 532 CB ASN A 35 -3.325 4.517 -9.310 1.00 0.00 C ATOM 533 CG ASN A 35 -3.972 5.243 -8.144 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.604 5.035 -6.988 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.941 6.102 -8.445 1.00 0.00 N ATOM 0 H ASN A 35 -0.803 2.839 -10.287 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.654 4.235 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.068 5.239 -10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.044 3.824 -9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.412 6.620 -7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.214 6.243 -9.418 1.00 0.00 H new ATOM 542 N GLY A 36 -3.140 2.094 -7.481 1.00 0.00 N ATOM 543 CA GLY A 36 -3.502 0.748 -7.073 1.00 0.00 C ATOM 544 C GLY A 36 -3.950 -0.136 -8.222 1.00 0.00 C ATOM 545 O GLY A 36 -3.770 -1.352 -8.176 1.00 0.00 O ATOM 0 H GLY A 36 -3.491 2.834 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.647 0.284 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.302 0.804 -6.335 1.00 0.00 H new ATOM 549 N ASN A 37 -4.538 0.475 -9.246 1.00 0.00 N ATOM 550 CA ASN A 37 -5.023 -0.265 -10.405 1.00 0.00 C ATOM 551 C ASN A 37 -3.899 -1.039 -11.085 1.00 0.00 C ATOM 552 O ASN A 37 -4.022 -2.240 -11.334 1.00 0.00 O ATOM 553 CB ASN A 37 -5.685 0.687 -11.400 1.00 0.00 C ATOM 554 CG ASN A 37 -7.189 0.491 -11.473 1.00 0.00 C ATOM 555 OD1 ASN A 37 -7.774 0.499 -12.556 1.00 0.00 O ATOM 556 ND2 ASN A 37 -7.822 0.315 -10.317 1.00 0.00 N ATOM 0 H ASN A 37 -4.690 1.482 -9.296 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.761 -0.987 -10.055 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.469 1.716 -11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.253 0.534 -12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.833 0.179 -10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.297 0.316 -9.443 1.00 0.00 H new ATOM 563 N GLU A 38 -2.803 -0.351 -11.391 1.00 0.00 N ATOM 564 CA GLU A 38 -1.675 -0.995 -12.052 1.00 0.00 C ATOM 565 C GLU A 38 -1.242 -2.261 -11.306 1.00 0.00 C ATOM 566 O GLU A 38 -1.072 -3.315 -11.919 1.00 0.00 O ATOM 567 CB GLU A 38 -0.499 -0.026 -12.154 1.00 0.00 C ATOM 568 CG GLU A 38 0.129 0.053 -13.539 1.00 0.00 C ATOM 569 CD GLU A 38 1.167 -1.025 -13.781 1.00 0.00 C ATOM 570 OE1 GLU A 38 0.801 -2.218 -13.762 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.348 -0.675 -13.988 1.00 0.00 O ATOM 0 H GLU A 38 -2.673 0.641 -11.194 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.995 -1.282 -13.054 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.837 0.969 -11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.266 -0.325 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.654 -0.029 -14.292 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.593 1.031 -13.666 1.00 0.00 H new ATOM 578 N VAL A 39 -1.068 -2.166 -9.986 1.00 0.00 N ATOM 579 CA VAL A 39 -0.660 -3.327 -9.200 1.00 0.00 C ATOM 580 C VAL A 39 -1.688 -4.450 -9.304 1.00 0.00 C ATOM 581 O VAL A 39 -1.342 -5.626 -9.180 1.00 0.00 O ATOM 582 CB VAL A 39 -0.431 -2.974 -7.717 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.188 -4.228 -6.893 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.741 -2.023 -7.583 1.00 0.00 C ATOM 0 H VAL A 39 -1.201 -1.310 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 39 0.287 -3.666 -9.619 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.329 -2.486 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.029 -3.953 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.054 -4.885 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.694 -4.746 -7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.894 -1.780 -6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.640 -2.495 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.534 -1.109 -8.140 1.00 0.00 H new ATOM 594 N LEU A 40 -2.948 -4.092 -9.547 1.00 0.00 N ATOM 595 CA LEU A 40 -3.998 -5.097 -9.680 1.00 0.00 C ATOM 596 C LEU A 40 -3.635 -6.071 -10.792 1.00 0.00 C ATOM 597 O LEU A 40 -3.722 -7.287 -10.627 1.00 0.00 O ATOM 598 CB LEU A 40 -5.356 -4.454 -9.985 1.00 0.00 C ATOM 599 CG LEU A 40 -5.784 -3.330 -9.041 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.199 -2.876 -9.358 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.693 -3.772 -7.589 1.00 0.00 C ATOM 0 H LEU A 40 -3.262 -3.128 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.080 -5.627 -8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.331 -4.060 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.119 -5.232 -9.963 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.103 -2.492 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.486 -2.076 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.243 -2.511 -10.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.885 -3.715 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.003 -2.953 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.346 -4.630 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.665 -4.050 -7.357 1.00 0.00 H new ATOM 613 N ALA A 41 -3.216 -5.516 -11.925 1.00 0.00 N ATOM 614 CA ALA A 41 -2.825 -6.321 -13.073 1.00 0.00 C ATOM 615 C ALA A 41 -1.505 -7.034 -12.818 1.00 0.00 C ATOM 616 O ALA A 41 -1.381 -8.238 -13.041 1.00 0.00 O ATOM 617 CB ALA A 41 -2.725 -5.452 -14.316 1.00 0.00 C ATOM 0 H ALA A 41 -3.139 -4.509 -12.071 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.592 -7.079 -13.233 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.432 -6.067 -15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.692 -4.992 -14.517 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.979 -4.673 -14.157 1.00 0.00 H new ATOM 623 N ALA A 42 -0.526 -6.278 -12.345 1.00 0.00 N ATOM 624 CA ALA A 42 0.795 -6.826 -12.049 1.00 0.00 C ATOM 625 C ALA A 42 0.699 -7.945 -11.023 1.00 0.00 C ATOM 626 O ALA A 42 1.490 -8.888 -11.038 1.00 0.00 O ATOM 627 CB ALA A 42 1.739 -5.731 -11.559 1.00 0.00 C ATOM 0 H ALA A 42 -0.619 -5.280 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 42 1.201 -7.241 -12.971 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.717 -6.163 -11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.841 -4.967 -12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.335 -5.281 -10.652 1.00 0.00 H new ATOM 633 N LEU A 43 -0.277 -7.832 -10.129 1.00 0.00 N ATOM 634 CA LEU A 43 -0.482 -8.831 -9.090 1.00 0.00 C ATOM 635 C LEU A 43 -1.003 -10.141 -9.670 1.00 0.00 C ATOM 636 O LEU A 43 -0.825 -11.208 -9.082 1.00 0.00 O ATOM 637 CB LEU A 43 -1.467 -8.315 -8.045 1.00 0.00 C ATOM 638 CG LEU A 43 -0.852 -7.483 -6.934 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.941 -6.905 -6.046 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.086 -8.345 -6.125 1.00 0.00 C ATOM 0 H LEU A 43 -0.939 -7.057 -10.104 1.00 0.00 H new ATOM 0 HA LEU A 43 0.485 -9.019 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.226 -7.716 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.978 -9.168 -7.598 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.292 -6.656 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.487 -6.311 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.599 -6.273 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.520 -7.717 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.529 -7.750 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.468 -9.178 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.875 -8.730 -6.771 1.00 0.00 H new ATOM 652 N ALA A 44 -1.657 -10.048 -10.819 1.00 0.00 N ATOM 653 CA ALA A 44 -2.220 -11.220 -11.477 1.00 0.00 C ATOM 654 C ALA A 44 -1.161 -12.291 -11.739 1.00 0.00 C ATOM 655 O ALA A 44 -1.490 -13.458 -11.953 1.00 0.00 O ATOM 656 CB ALA A 44 -2.893 -10.813 -12.779 1.00 0.00 C ATOM 0 H ALA A 44 -1.811 -9.171 -11.317 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.962 -11.653 -10.806 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.311 -11.695 -13.264 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.692 -10.102 -12.569 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.159 -10.350 -13.439 1.00 0.00 H new ATOM 662 N SER A 45 0.107 -11.890 -11.729 1.00 0.00 N ATOM 663 CA SER A 45 1.201 -12.819 -11.973 1.00 0.00 C ATOM 664 C SER A 45 2.227 -12.808 -10.838 1.00 0.00 C ATOM 665 O SER A 45 3.235 -13.510 -10.903 1.00 0.00 O ATOM 666 CB SER A 45 1.885 -12.489 -13.300 1.00 0.00 C ATOM 667 OG SER A 45 1.779 -13.568 -14.212 1.00 0.00 O ATOM 0 H SER A 45 0.400 -10.929 -11.555 1.00 0.00 H new ATOM 0 HA SER A 45 0.775 -13.821 -12.021 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.433 -11.597 -13.733 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.936 -12.260 -13.124 1.00 0.00 H new ATOM 0 HG SER A 45 2.223 -13.330 -15.053 1.00 0.00 H new ATOM 673 N LYS A 46 1.971 -12.017 -9.800 1.00 0.00 N ATOM 674 CA LYS A 46 2.879 -11.936 -8.663 1.00 0.00 C ATOM 675 C LYS A 46 2.188 -11.299 -7.466 1.00 0.00 C ATOM 676 O LYS A 46 1.229 -10.549 -7.620 1.00 0.00 O ATOM 677 CB LYS A 46 4.131 -11.137 -9.027 1.00 0.00 C ATOM 678 CG LYS A 46 5.431 -11.811 -8.610 1.00 0.00 C ATOM 679 CD LYS A 46 6.295 -10.887 -7.765 1.00 0.00 C ATOM 680 CE LYS A 46 7.762 -10.979 -8.155 1.00 0.00 C ATOM 681 NZ LYS A 46 8.404 -9.638 -8.225 1.00 0.00 N ATOM 0 H LYS A 46 1.144 -11.425 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 46 3.175 -12.951 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.146 -10.974 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.074 -10.155 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.207 -12.717 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.984 -12.116 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.951 -9.859 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.181 -11.144 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.292 -11.598 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.850 -11.474 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.403 -9.745 -8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.915 -9.056 -8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.343 -9.175 -7.296 1.00 0.00 H new ATOM 695 N THR A 47 2.679 -11.603 -6.274 1.00 0.00 N ATOM 696 CA THR A 47 2.103 -11.054 -5.059 1.00 0.00 C ATOM 697 C THR A 47 3.184 -10.652 -4.061 1.00 0.00 C ATOM 698 O THR A 47 3.870 -11.510 -3.506 1.00 0.00 O ATOM 699 CB THR A 47 1.152 -12.065 -4.418 1.00 0.00 C ATOM 700 OG1 THR A 47 0.111 -12.412 -5.315 1.00 0.00 O ATOM 701 CG2 THR A 47 0.511 -11.559 -3.143 1.00 0.00 C ATOM 0 H THR A 47 3.473 -12.225 -6.124 1.00 0.00 H new ATOM 0 HA THR A 47 1.545 -10.159 -5.333 1.00 0.00 H new ATOM 0 HB THR A 47 1.769 -12.930 -4.176 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.486 -13.061 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.152 -12.325 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.286 -11.329 -2.412 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.064 -10.658 -3.357 1.00 0.00 H new ATOM 709 N PRO A 48 3.341 -9.342 -3.791 1.00 0.00 N ATOM 710 CA PRO A 48 4.323 -8.864 -2.831 1.00 0.00 C ATOM 711 C PRO A 48 3.828 -9.054 -1.410 1.00 0.00 C ATOM 712 O PRO A 48 2.642 -9.302 -1.188 1.00 0.00 O ATOM 713 CB PRO A 48 4.443 -7.381 -3.160 1.00 0.00 C ATOM 714 CG PRO A 48 3.096 -7.011 -3.663 1.00 0.00 C ATOM 715 CD PRO A 48 2.559 -8.232 -4.369 1.00 0.00 C ATOM 0 HA PRO A 48 5.271 -9.398 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.714 -6.798 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.212 -7.200 -3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.442 -6.717 -2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.155 -6.162 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.491 -8.360 -4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.697 -8.164 -5.448 1.00 0.00 H new ATOM 723 N ASP A 49 4.726 -8.938 -0.449 1.00 0.00 N ATOM 724 CA ASP A 49 4.351 -9.108 0.939 1.00 0.00 C ATOM 725 C ASP A 49 3.579 -7.887 1.443 1.00 0.00 C ATOM 726 O ASP A 49 2.427 -8.002 1.867 1.00 0.00 O ATOM 727 CB ASP A 49 5.596 -9.356 1.790 1.00 0.00 C ATOM 728 CG ASP A 49 6.536 -8.172 1.829 1.00 0.00 C ATOM 729 OD1 ASP A 49 7.408 -8.075 0.945 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.395 -7.341 2.744 1.00 0.00 O ATOM 0 H ASP A 49 5.712 -8.728 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 49 3.696 -9.975 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.290 -9.603 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.129 -10.222 1.399 1.00 0.00 H new ATOM 735 N VAL A 50 4.214 -6.721 1.387 1.00 0.00 N ATOM 736 CA VAL A 50 3.590 -5.480 1.826 1.00 0.00 C ATOM 737 C VAL A 50 3.105 -4.657 0.627 1.00 0.00 C ATOM 738 O VAL A 50 3.497 -4.925 -0.511 1.00 0.00 O ATOM 739 CB VAL A 50 4.570 -4.655 2.683 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.806 -4.291 1.878 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.894 -3.415 3.245 1.00 0.00 C ATOM 0 H VAL A 50 5.167 -6.611 1.039 1.00 0.00 H new ATOM 0 HA VAL A 50 2.724 -5.735 2.437 1.00 0.00 H new ATOM 0 HB VAL A 50 4.885 -5.268 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.486 -3.709 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.306 -5.201 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.514 -3.701 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.608 -2.852 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.538 -2.791 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.050 -3.711 3.868 1.00 0.00 H new ATOM 751 N LEU A 51 2.251 -3.664 0.877 1.00 0.00 N ATOM 752 CA LEU A 51 1.722 -2.820 -0.195 1.00 0.00 C ATOM 753 C LEU A 51 1.336 -1.435 0.334 1.00 0.00 C ATOM 754 O LEU A 51 0.842 -1.305 1.451 1.00 0.00 O ATOM 755 CB LEU A 51 0.509 -3.507 -0.844 1.00 0.00 C ATOM 756 CG LEU A 51 0.129 -3.020 -2.250 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.297 -3.171 -3.214 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.083 -3.786 -2.769 1.00 0.00 C ATOM 0 H LEU A 51 1.912 -3.425 1.809 1.00 0.00 H new ATOM 0 HA LEU A 51 2.500 -2.683 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.707 -4.578 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.352 -3.372 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.124 -1.962 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.001 -2.819 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.142 -2.582 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.586 -4.220 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.339 -3.429 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.849 -4.850 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.928 -3.628 -2.099 1.00 0.00 H new ATOM 770 N LEU A 52 1.570 -0.402 -0.472 1.00 0.00 N ATOM 771 CA LEU A 52 1.246 0.970 -0.078 1.00 0.00 C ATOM 772 C LEU A 52 0.426 1.665 -1.161 1.00 0.00 C ATOM 773 O LEU A 52 0.666 1.464 -2.350 1.00 0.00 O ATOM 774 CB LEU A 52 2.528 1.767 0.196 1.00 0.00 C ATOM 775 CG LEU A 52 2.700 2.246 1.639 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.163 2.187 2.051 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.160 3.659 1.801 1.00 0.00 C ATOM 0 H LEU A 52 1.982 -0.487 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 52 0.653 0.927 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.385 1.148 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.545 2.635 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 52 2.131 1.582 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.265 2.531 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.521 1.160 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.752 2.827 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.291 3.982 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.702 4.334 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.100 3.675 1.548 1.00 0.00 H new ATOM 789 N SER A 53 -0.540 2.480 -0.745 1.00 0.00 N ATOM 790 CA SER A 53 -1.391 3.197 -1.690 1.00 0.00 C ATOM 791 C SER A 53 -1.457 4.688 -1.364 1.00 0.00 C ATOM 792 O SER A 53 -1.560 5.079 -0.201 1.00 0.00 O ATOM 793 CB SER A 53 -2.789 2.582 -1.700 1.00 0.00 C ATOM 794 OG SER A 53 -2.862 1.502 -2.612 1.00 0.00 O ATOM 0 H SER A 53 -0.752 2.660 0.236 1.00 0.00 H new ATOM 0 HA SER A 53 -0.954 3.101 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.045 2.235 -0.699 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.522 3.342 -1.971 1.00 0.00 H new ATOM 0 HG SER A 53 -2.173 0.841 -2.392 1.00 0.00 H new ATOM 800 N ASP A 54 -1.370 5.513 -2.408 1.00 0.00 N ATOM 801 CA ASP A 54 -1.390 6.965 -2.252 1.00 0.00 C ATOM 802 C ASP A 54 -2.795 7.514 -2.015 1.00 0.00 C ATOM 803 O ASP A 54 -2.947 8.644 -1.550 1.00 0.00 O ATOM 804 CB ASP A 54 -0.788 7.633 -3.487 1.00 0.00 C ATOM 805 CG ASP A 54 -1.604 7.371 -4.737 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.145 6.252 -4.869 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.700 8.282 -5.585 1.00 0.00 O ATOM 0 H ASP A 54 -1.285 5.197 -3.374 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.794 7.194 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.719 8.708 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.228 7.268 -3.636 1.00 0.00 H new ATOM 812 N ILE A 55 -3.817 6.725 -2.340 1.00 0.00 N ATOM 813 CA ILE A 55 -5.212 7.148 -2.161 1.00 0.00 C ATOM 814 C ILE A 55 -5.428 8.581 -2.666 1.00 0.00 C ATOM 815 O ILE A 55 -5.246 9.546 -1.923 1.00 0.00 O ATOM 816 CB ILE A 55 -5.644 7.023 -0.676 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.056 7.566 -0.450 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.664 7.731 0.245 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.964 6.590 0.272 1.00 0.00 C ATOM 0 H ILE A 55 -3.709 5.788 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.837 6.483 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.644 5.960 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.995 8.489 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.499 7.820 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.994 7.625 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.674 7.288 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.619 8.789 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.950 7.037 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.054 5.675 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.542 6.355 1.249 1.00 0.00 H new ATOM 831 N ARG A 56 -5.800 8.715 -3.944 1.00 0.00 N ATOM 832 CA ARG A 56 -6.018 10.032 -4.547 1.00 0.00 C ATOM 833 C ARG A 56 -7.314 10.097 -5.361 1.00 0.00 C ATOM 834 O ARG A 56 -7.318 10.566 -6.499 1.00 0.00 O ATOM 835 CB ARG A 56 -4.831 10.403 -5.438 1.00 0.00 C ATOM 836 CG ARG A 56 -4.411 11.858 -5.318 1.00 0.00 C ATOM 837 CD ARG A 56 -3.562 12.090 -4.080 1.00 0.00 C ATOM 838 NE ARG A 56 -2.507 13.074 -4.315 1.00 0.00 N ATOM 839 CZ ARG A 56 -1.455 12.858 -5.101 1.00 0.00 C ATOM 840 NH1 ARG A 56 -1.311 11.696 -5.726 1.00 0.00 N ATOM 841 NH2 ARG A 56 -0.544 13.808 -5.261 1.00 0.00 N ATOM 0 H ARG A 56 -5.955 7.931 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.110 10.747 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.983 9.767 -5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.087 10.192 -6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.850 12.151 -6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.297 12.492 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.198 12.429 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.115 11.147 -3.766 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.581 13.979 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.009 10.962 -5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.502 11.537 -6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.650 14.702 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.263 13.644 -5.863 1.00 0.00 H new ATOM 855 N MET A 57 -8.413 9.651 -4.763 1.00 0.00 N ATOM 856 CA MET A 57 -9.725 9.681 -5.417 1.00 0.00 C ATOM 857 C MET A 57 -9.752 8.930 -6.753 1.00 0.00 C ATOM 858 O MET A 57 -10.219 9.460 -7.761 1.00 0.00 O ATOM 859 CB MET A 57 -10.176 11.126 -5.631 1.00 0.00 C ATOM 860 CG MET A 57 -11.657 11.247 -5.955 1.00 0.00 C ATOM 861 SD MET A 57 -12.020 12.626 -7.059 1.00 0.00 S ATOM 862 CE MET A 57 -13.500 13.282 -6.294 1.00 0.00 C ATOM 0 H MET A 57 -8.425 9.261 -3.820 1.00 0.00 H new ATOM 0 HA MET A 57 -10.414 9.166 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.958 11.705 -4.734 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.596 11.565 -6.442 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.001 10.320 -6.414 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.218 11.372 -5.029 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.851 14.144 -6.861 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.274 12.515 -6.283 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.277 13.587 -5.272 1.00 0.00 H new ATOM 872 N PRO A 58 -9.278 7.674 -6.773 1.00 0.00 N ATOM 873 CA PRO A 58 -9.277 6.845 -7.984 1.00 0.00 C ATOM 874 C PRO A 58 -10.693 6.436 -8.404 1.00 0.00 C ATOM 875 O PRO A 58 -11.271 7.024 -9.319 1.00 0.00 O ATOM 876 CB PRO A 58 -8.456 5.618 -7.575 1.00 0.00 C ATOM 877 CG PRO A 58 -8.575 5.551 -6.089 1.00 0.00 C ATOM 878 CD PRO A 58 -8.725 6.968 -5.612 1.00 0.00 C ATOM 0 HA PRO A 58 -8.868 7.374 -8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.841 4.712 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.415 5.719 -7.883 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.435 4.949 -5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.694 5.084 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.391 7.032 -4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.768 7.390 -5.306 1.00 0.00 H new ATOM 886 N GLY A 59 -11.249 5.429 -7.729 1.00 0.00 N ATOM 887 CA GLY A 59 -12.589 4.965 -8.037 1.00 0.00 C ATOM 888 C GLY A 59 -13.568 5.263 -6.916 1.00 0.00 C ATOM 889 O GLY A 59 -14.780 5.303 -7.132 1.00 0.00 O ATOM 0 H GLY A 59 -10.789 4.926 -6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.935 5.440 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.567 3.891 -8.222 1.00 0.00 H new ATOM 893 N MET A 60 -13.035 5.477 -5.716 1.00 0.00 N ATOM 894 CA MET A 60 -13.851 5.780 -4.548 1.00 0.00 C ATOM 895 C MET A 60 -13.004 6.447 -3.471 1.00 0.00 C ATOM 896 O MET A 60 -12.772 5.879 -2.400 1.00 0.00 O ATOM 897 CB MET A 60 -14.507 4.513 -3.993 1.00 0.00 C ATOM 898 CG MET A 60 -15.672 4.785 -3.057 1.00 0.00 C ATOM 899 SD MET A 60 -17.272 4.567 -3.859 1.00 0.00 S ATOM 900 CE MET A 60 -17.979 3.262 -2.857 1.00 0.00 C ATOM 0 H MET A 60 -12.033 5.445 -5.528 1.00 0.00 H new ATOM 0 HA MET A 60 -14.640 6.466 -4.855 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.857 3.902 -4.825 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.755 3.929 -3.462 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.606 4.117 -2.198 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.597 5.803 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.973 3.015 -3.230 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.342 2.379 -2.908 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.053 3.597 -1.822 1.00 0.00 H new ATOM 910 N ASP A 61 -12.539 7.657 -3.777 1.00 0.00 N ATOM 911 CA ASP A 61 -11.715 8.442 -2.860 1.00 0.00 C ATOM 912 C ASP A 61 -10.332 7.825 -2.649 1.00 0.00 C ATOM 913 O ASP A 61 -9.385 8.519 -2.280 1.00 0.00 O ATOM 914 CB ASP A 61 -12.430 8.590 -1.523 1.00 0.00 C ATOM 915 CG ASP A 61 -13.026 9.972 -1.337 1.00 0.00 C ATOM 916 OD1 ASP A 61 -13.394 10.601 -2.353 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.125 10.425 -0.178 1.00 0.00 O ATOM 0 H ASP A 61 -12.723 8.120 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.565 9.423 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.221 7.843 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.728 8.388 -0.714 1.00 0.00 H new ATOM 922 N GLY A 62 -10.222 6.520 -2.878 1.00 0.00 N ATOM 923 CA GLY A 62 -8.961 5.833 -2.701 1.00 0.00 C ATOM 924 C GLY A 62 -9.160 4.477 -2.074 1.00 0.00 C ATOM 925 O GLY A 62 -8.420 3.535 -2.358 1.00 0.00 O ATOM 0 H GLY A 62 -10.991 5.925 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.467 5.721 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.302 6.433 -2.073 1.00 0.00 H new ATOM 929 N LEU A 63 -10.180 4.374 -1.233 1.00 0.00 N ATOM 930 CA LEU A 63 -10.489 3.116 -0.584 1.00 0.00 C ATOM 931 C LEU A 63 -10.955 2.109 -1.626 1.00 0.00 C ATOM 932 O LEU A 63 -10.760 0.904 -1.470 1.00 0.00 O ATOM 933 CB LEU A 63 -11.541 3.298 0.513 1.00 0.00 C ATOM 934 CG LEU A 63 -11.287 4.466 1.469 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.968 5.732 0.976 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.749 4.117 2.873 1.00 0.00 C ATOM 0 H LEU A 63 -10.802 5.144 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.586 2.739 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.514 3.439 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.599 2.378 1.095 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.214 4.653 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.771 6.546 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.579 5.995 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.043 5.564 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.560 4.960 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.816 3.897 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.202 3.244 3.229 1.00 0.00 H new ATOM 948 N ALA A 64 -11.547 2.613 -2.713 1.00 0.00 N ATOM 949 CA ALA A 64 -11.998 1.748 -3.799 1.00 0.00 C ATOM 950 C ALA A 64 -10.848 0.872 -4.271 1.00 0.00 C ATOM 951 O ALA A 64 -11.048 -0.247 -4.748 1.00 0.00 O ATOM 952 CB ALA A 64 -12.531 2.577 -4.956 1.00 0.00 C ATOM 0 H ALA A 64 -11.722 3.607 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.804 1.114 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.862 1.915 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.371 3.181 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.742 3.230 -5.329 1.00 0.00 H new ATOM 958 N LEU A 65 -9.636 1.396 -4.115 1.00 0.00 N ATOM 959 CA LEU A 65 -8.424 0.689 -4.497 1.00 0.00 C ATOM 960 C LEU A 65 -8.408 -0.699 -3.885 1.00 0.00 C ATOM 961 O LEU A 65 -8.309 -1.707 -4.584 1.00 0.00 O ATOM 962 CB LEU A 65 -7.207 1.467 -4.006 1.00 0.00 C ATOM 963 CG LEU A 65 -5.914 1.178 -4.752 1.00 0.00 C ATOM 964 CD1 LEU A 65 -4.894 2.271 -4.479 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.364 -0.187 -4.356 1.00 0.00 C ATOM 0 H LEU A 65 -9.469 2.322 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.396 0.600 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.422 2.533 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.056 1.246 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.123 1.162 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.973 2.052 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.291 3.230 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.686 2.316 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.438 -0.378 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.166 -0.202 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.094 -0.958 -4.601 1.00 0.00 H new ATOM 977 N LEU A 66 -8.511 -0.724 -2.566 1.00 0.00 N ATOM 978 CA LEU A 66 -8.515 -1.964 -1.812 1.00 0.00 C ATOM 979 C LEU A 66 -9.619 -2.893 -2.308 1.00 0.00 C ATOM 980 O LEU A 66 -9.413 -4.099 -2.440 1.00 0.00 O ATOM 981 CB LEU A 66 -8.690 -1.640 -0.331 1.00 0.00 C ATOM 982 CG LEU A 66 -7.666 -0.637 0.216 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.327 0.362 1.153 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.529 -1.362 0.920 1.00 0.00 C ATOM 0 H LEU A 66 -8.594 0.114 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.567 -2.483 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.692 -1.242 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.620 -2.564 0.243 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.252 -0.084 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.579 1.061 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.099 0.911 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.778 -0.169 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.813 -0.633 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.928 -1.946 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.030 -2.027 0.215 1.00 0.00 H new ATOM 996 N LYS A 67 -10.789 -2.325 -2.596 1.00 0.00 N ATOM 997 CA LYS A 67 -11.921 -3.107 -3.097 1.00 0.00 C ATOM 998 C LYS A 67 -11.487 -4.035 -4.238 1.00 0.00 C ATOM 999 O LYS A 67 -11.795 -5.225 -4.233 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.039 -2.179 -3.584 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.426 -2.806 -3.528 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.685 -3.724 -4.717 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.587 -3.069 -5.750 1.00 0.00 C ATOM 1004 NZ LYS A 67 -14.898 -1.967 -6.478 1.00 0.00 N ATOM 0 H LYS A 67 -10.979 -1.328 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.294 -3.718 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.036 -1.272 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.828 -1.878 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.531 -3.373 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.179 -2.019 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.736 -3.994 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.144 -4.649 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.924 -3.820 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.476 -2.677 -5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.578 -1.483 -7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.510 -1.288 -5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.125 -2.360 -7.052 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.772 -3.483 -5.215 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.306 -4.271 -6.352 1.00 0.00 C ATOM 1020 C GLN A 68 -9.232 -5.261 -5.921 1.00 0.00 C ATOM 1021 O GLN A 68 -9.105 -6.346 -6.488 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.741 -3.367 -7.448 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.617 -2.176 -7.791 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.756 -2.536 -8.724 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.723 -3.292 -8.217 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -11.770 -2.136 -9.889 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.504 -2.499 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.164 -4.817 -6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.762 -3.004 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.587 -3.961 -8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.025 -1.754 -6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.005 -1.402 -8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.007 -1.557 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.545 -2.384 -10.504 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.449 -4.869 -4.925 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.370 -5.706 -4.421 1.00 0.00 C ATOM 1037 C ILE A 69 -7.896 -7.030 -3.877 1.00 0.00 C ATOM 1038 O ILE A 69 -7.293 -8.083 -4.089 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.563 -4.960 -3.334 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.886 -3.731 -3.949 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.525 -5.870 -2.684 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.139 -2.884 -2.943 1.00 0.00 C ATOM 0 H ILE A 69 -8.542 -3.972 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.708 -5.928 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.254 -4.641 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.192 -4.058 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.642 -3.117 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.977 -5.312 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.026 -6.719 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.830 -6.230 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.686 -2.032 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.833 -2.526 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.360 -3.482 -2.471 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.012 -6.967 -3.176 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.617 -8.158 -2.594 1.00 0.00 C ATOM 1056 C LYS A 70 -10.301 -9.018 -3.650 1.00 0.00 C ATOM 1057 O LYS A 70 -10.431 -10.232 -3.490 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.630 -7.769 -1.516 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.872 -7.085 -2.065 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.128 -7.902 -1.801 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.337 -7.010 -1.577 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.106 -6.782 -2.832 1.00 0.00 N ATOM 0 H LYS A 70 -9.522 -6.103 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.814 -8.744 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.930 -8.664 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.147 -7.105 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.976 -6.100 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.758 -6.930 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.316 -8.565 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.975 -8.535 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.989 -7.464 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.010 -6.052 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.782 -6.005 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.451 -6.533 -3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.623 -7.648 -3.085 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.756 -8.380 -4.718 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.450 -9.079 -5.791 1.00 0.00 C ATOM 1078 C GLN A 71 -10.493 -9.937 -6.617 1.00 0.00 C ATOM 1079 O GLN A 71 -10.823 -11.063 -6.993 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.201 -8.056 -6.663 1.00 0.00 C ATOM 1081 CG GLN A 71 -12.348 -8.432 -8.135 1.00 0.00 C ATOM 1082 CD GLN A 71 -11.835 -7.348 -9.067 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -12.417 -7.098 -10.122 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -10.738 -6.698 -8.683 1.00 0.00 N ATOM 0 H GLN A 71 -10.657 -7.376 -4.866 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.175 -9.766 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.196 -7.907 -6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.682 -7.100 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.805 -9.358 -8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.398 -8.627 -8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.286 -6.937 -7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.349 -5.961 -9.272 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.325 -9.397 -6.909 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.334 -10.114 -7.709 1.00 0.00 C ATOM 1095 C ARG A 72 -7.324 -10.853 -6.839 1.00 0.00 C ATOM 1096 O ARG A 72 -6.738 -11.849 -7.266 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.606 -9.148 -8.647 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.513 -8.535 -9.703 1.00 0.00 C ATOM 1099 CD ARG A 72 -8.103 -8.949 -11.108 1.00 0.00 C ATOM 1100 NE ARG A 72 -9.244 -9.403 -11.902 1.00 0.00 N ATOM 1101 CZ ARG A 72 -9.308 -10.586 -12.514 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -8.301 -11.447 -12.431 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -10.386 -10.908 -13.214 1.00 0.00 N ATOM 0 H ARG A 72 -9.034 -8.467 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.871 -10.857 -8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.156 -8.350 -8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.791 -9.677 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.543 -8.841 -9.520 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.484 -7.448 -9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.625 -8.107 -11.609 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.362 -9.747 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.042 -8.774 -11.994 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.467 -11.206 -11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.361 -12.349 -12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.164 -10.252 -13.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.438 -11.812 -13.683 1.00 0.00 H new ATOM 1117 N HIS A 73 -7.113 -10.361 -5.628 1.00 0.00 N ATOM 1118 CA HIS A 73 -6.158 -10.978 -4.710 1.00 0.00 C ATOM 1119 C HIS A 73 -6.821 -11.335 -3.383 1.00 0.00 C ATOM 1120 O HIS A 73 -7.950 -10.923 -3.112 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.972 -10.040 -4.477 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.808 -9.022 -5.563 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.976 -7.684 -5.548 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.445 -9.347 -6.854 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.712 -7.224 -6.813 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.393 -8.248 -7.582 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.587 -9.538 -5.255 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.798 -11.901 -5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.103 -9.528 -3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.059 -10.630 -4.399 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.236 -10.344 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.758 -6.192 -7.128 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.148 -8.198 -8.571 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.128 -12.120 -2.537 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.664 -12.540 -1.243 1.00 0.00 C ATOM 1137 C PRO A 74 -6.769 -11.388 -0.246 1.00 0.00 C ATOM 1138 O PRO A 74 -7.836 -10.797 -0.090 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.670 -13.600 -0.758 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.401 -13.323 -1.490 1.00 0.00 C ATOM 1141 CD PRO A 74 -4.781 -12.665 -2.791 1.00 0.00 C ATOM 0 HA PRO A 74 -7.683 -12.916 -1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.523 -13.536 0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.034 -14.605 -0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.751 -12.673 -0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.850 -14.246 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.077 -11.878 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.789 -13.381 -3.613 1.00 0.00 H new ATOM 1149 N MET A 75 -5.666 -11.072 0.433 1.00 0.00 N ATOM 1150 CA MET A 75 -5.664 -9.992 1.415 1.00 0.00 C ATOM 1151 C MET A 75 -4.316 -9.277 1.454 1.00 0.00 C ATOM 1152 O MET A 75 -3.691 -9.169 2.510 1.00 0.00 O ATOM 1153 CB MET A 75 -6.007 -10.543 2.802 1.00 0.00 C ATOM 1154 CG MET A 75 -7.486 -10.847 2.990 1.00 0.00 C ATOM 1155 SD MET A 75 -7.778 -12.192 4.156 1.00 0.00 S ATOM 1156 CE MET A 75 -8.217 -13.520 3.035 1.00 0.00 C ATOM 0 H MET A 75 -4.770 -11.546 0.321 1.00 0.00 H new ATOM 0 HA MET A 75 -6.421 -9.266 1.118 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.433 -11.454 2.974 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.694 -9.822 3.557 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.995 -9.950 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.925 -11.105 2.026 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.427 -14.424 3.607 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.102 -13.237 2.465 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.389 -13.708 2.351 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.874 -8.788 0.302 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.600 -8.080 0.213 1.00 0.00 C ATOM 1168 C LEU A 76 -2.561 -6.879 1.159 1.00 0.00 C ATOM 1169 O LEU A 76 -3.267 -5.896 0.943 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.360 -7.607 -1.221 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.896 -7.521 -1.640 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.052 -6.905 -0.535 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.394 -8.904 -2.000 1.00 0.00 C ATOM 0 H LEU A 76 -4.376 -8.868 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.814 -8.775 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.877 -8.284 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.815 -6.624 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.812 -6.875 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.988 -6.854 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.414 -5.900 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.124 -7.519 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.652 -8.845 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.487 -9.561 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.986 -9.303 -2.824 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.733 -6.935 2.222 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.620 -5.834 3.186 1.00 0.00 C ATOM 1187 C PRO A 77 -1.190 -4.522 2.531 1.00 0.00 C ATOM 1188 O PRO A 77 -0.082 -4.407 2.009 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.544 -6.316 4.164 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.534 -7.797 4.019 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.856 -8.065 2.578 1.00 0.00 C ATOM 0 HA PRO A 77 -2.578 -5.616 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.429 -5.888 3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.778 -6.020 5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.439 -8.210 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.269 -8.260 4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.042 -8.090 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.359 -9.023 2.448 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.081 -3.539 2.576 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.824 -2.225 2.006 1.00 0.00 C ATOM 1201 C VAL A 78 -1.847 -1.145 3.089 1.00 0.00 C ATOM 1202 O VAL A 78 -2.618 -1.225 4.048 1.00 0.00 O ATOM 1203 CB VAL A 78 -2.866 -1.857 0.928 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.391 -0.675 0.100 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.171 -3.048 0.034 1.00 0.00 C ATOM 0 H VAL A 78 -3.000 -3.631 3.008 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.836 -2.272 1.548 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.787 -1.572 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.141 -0.433 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.239 0.187 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.452 -0.929 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.908 -2.761 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.257 -3.374 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.567 -3.864 0.638 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.009 -0.130 2.919 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.940 0.976 3.864 1.00 0.00 C ATOM 1217 C ILE A 79 -1.333 2.276 3.162 1.00 0.00 C ATOM 1218 O ILE A 79 -0.638 2.736 2.260 1.00 0.00 O ATOM 1219 CB ILE A 79 0.474 1.111 4.471 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.007 -0.261 4.902 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.464 2.074 5.648 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.226 -0.716 4.127 1.00 0.00 C ATOM 0 H ILE A 79 -0.365 -0.051 2.132 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.636 0.773 4.678 1.00 0.00 H new ATOM 0 HB ILE A 79 1.138 1.514 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.255 -0.227 5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.216 -1.001 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.470 2.155 6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.130 3.056 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.215 1.703 6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.543 -1.694 4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.979 -0.784 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.034 0.002 4.266 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.473 2.844 3.554 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.972 4.070 2.928 1.00 0.00 C ATOM 1236 C ILE A 80 -2.534 5.326 3.679 1.00 0.00 C ATOM 1237 O ILE A 80 -2.683 5.420 4.895 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.511 4.056 2.834 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.008 2.692 2.353 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.992 5.157 1.902 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.481 2.312 0.994 1.00 0.00 C ATOM 0 H ILE A 80 -3.067 2.478 4.298 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.540 4.098 1.928 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.920 4.238 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.714 1.930 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.098 2.700 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.080 5.136 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.668 6.125 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.573 5.001 0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.872 1.334 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.797 3.054 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.392 2.273 1.024 1.00 0.00 H new ATOM 1253 N MET A 81 -1.997 6.290 2.934 1.00 0.00 N ATOM 1254 CA MET A 81 -1.529 7.552 3.510 1.00 0.00 C ATOM 1255 C MET A 81 -2.694 8.445 3.936 1.00 0.00 C ATOM 1256 O MET A 81 -2.569 9.240 4.868 1.00 0.00 O ATOM 1257 CB MET A 81 -0.641 8.305 2.511 1.00 0.00 C ATOM 1258 CG MET A 81 -1.154 8.303 1.080 1.00 0.00 C ATOM 1259 SD MET A 81 -0.075 9.230 -0.032 1.00 0.00 S ATOM 1260 CE MET A 81 -0.824 10.854 0.031 1.00 0.00 C ATOM 0 H MET A 81 -1.874 6.222 1.924 1.00 0.00 H new ATOM 0 HA MET A 81 -0.946 7.305 4.397 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.537 9.338 2.844 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.355 7.863 2.526 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.239 7.275 0.728 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.155 8.733 1.054 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.051 11.615 -0.071 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.543 10.955 -0.782 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.335 10.982 0.985 1.00 0.00 H new ATOM 1270 N THR A 82 -3.817 8.318 3.240 1.00 0.00 N ATOM 1271 CA THR A 82 -5.004 9.122 3.536 1.00 0.00 C ATOM 1272 C THR A 82 -6.273 8.267 3.529 1.00 0.00 C ATOM 1273 O THR A 82 -6.453 7.410 2.666 1.00 0.00 O ATOM 1274 CB THR A 82 -5.137 10.253 2.512 1.00 0.00 C ATOM 1275 OG1 THR A 82 -3.883 10.862 2.269 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.099 11.339 2.941 1.00 0.00 C ATOM 0 H THR A 82 -3.934 7.666 2.465 1.00 0.00 H new ATOM 0 HA THR A 82 -4.884 9.543 4.534 1.00 0.00 H new ATOM 0 HB THR A 82 -5.526 9.780 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.990 11.580 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.146 12.109 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.090 10.910 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.755 11.782 3.876 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.155 8.508 4.492 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.400 7.755 4.583 1.00 0.00 C ATOM 1286 C ALA A 83 -9.517 8.420 3.786 1.00 0.00 C ATOM 1287 O ALA A 83 -10.439 7.749 3.318 1.00 0.00 O ATOM 1288 CB ALA A 83 -8.811 7.578 6.036 1.00 0.00 C ATOM 0 H ALA A 83 -7.032 9.215 5.217 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.225 6.771 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.742 7.014 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.031 7.037 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.955 8.556 6.495 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.426 9.737 3.623 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.424 10.493 2.874 1.00 0.00 C ATOM 1296 C HIS A 84 -11.846 10.066 3.254 1.00 0.00 C ATOM 1297 O HIS A 84 -12.061 9.493 4.322 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.177 10.312 1.374 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.122 11.223 0.827 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.766 12.414 1.424 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.337 11.109 -0.272 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -7.810 12.991 0.718 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.531 12.219 -0.316 1.00 0.00 N ATOM 0 H HIS A 84 -8.668 10.304 4.002 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.329 11.549 3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.887 9.279 1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.110 10.486 0.837 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.344 10.295 -0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.337 13.934 0.948 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.831 12.415 -1.031 1.00 0.00 H new ATOM 1312 N SER A 85 -12.816 10.353 2.386 1.00 0.00 N ATOM 1313 CA SER A 85 -14.208 10.001 2.652 1.00 0.00 C ATOM 1314 C SER A 85 -14.488 8.540 2.312 1.00 0.00 C ATOM 1315 O SER A 85 -13.708 7.892 1.615 1.00 0.00 O ATOM 1316 CB SER A 85 -15.147 10.907 1.851 1.00 0.00 C ATOM 1317 OG SER A 85 -16.423 10.987 2.464 1.00 0.00 O ATOM 0 H SER A 85 -12.663 10.827 1.496 1.00 0.00 H new ATOM 0 HA SER A 85 -14.388 10.144 3.718 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.715 11.905 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.251 10.523 0.836 1.00 0.00 H new ATOM 0 HG SER A 85 -17.004 11.573 1.935 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.613 8.032 2.811 1.00 0.00 N ATOM 1324 CA ASP A 86 -16.012 6.648 2.569 1.00 0.00 C ATOM 1325 C ASP A 86 -15.127 5.685 3.355 1.00 0.00 C ATOM 1326 O ASP A 86 -14.874 4.561 2.923 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.953 6.324 1.073 1.00 0.00 C ATOM 1328 CG ASP A 86 -17.306 5.927 0.514 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -17.727 4.773 0.741 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -17.945 6.770 -0.150 1.00 0.00 O ATOM 0 H ASP A 86 -16.267 8.561 3.388 1.00 0.00 H new ATOM 0 HA ASP A 86 -17.040 6.527 2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.579 7.192 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.242 5.514 0.907 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.660 6.143 4.516 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.795 5.346 5.387 1.00 0.00 C ATOM 1337 C LEU A 87 -14.303 3.914 5.565 1.00 0.00 C ATOM 1338 O LEU A 87 -13.535 3.020 5.917 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.660 6.025 6.752 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.242 6.463 7.127 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.246 7.176 8.469 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.303 5.266 7.158 1.00 0.00 C ATOM 0 H LEU A 87 -14.869 7.073 4.879 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.820 5.285 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.310 6.900 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.026 5.341 7.518 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.883 7.158 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.231 7.481 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.886 8.057 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.624 6.502 9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.300 5.597 7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.657 4.545 7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.279 4.797 6.174 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.593 3.699 5.330 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.184 2.371 5.477 1.00 0.00 C ATOM 1356 C ASP A 88 -15.337 1.312 4.771 1.00 0.00 C ATOM 1357 O ASP A 88 -15.091 0.237 5.320 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.607 2.352 4.913 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.616 2.976 5.857 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.212 3.820 6.684 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.810 2.622 5.768 1.00 0.00 O ATOM 0 H ASP A 88 -16.249 4.424 5.038 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.217 2.138 6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.625 2.886 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.898 1.322 4.705 1.00 0.00 H new ATOM 1366 N ALA A 89 -14.893 1.623 3.556 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.074 0.696 2.784 1.00 0.00 C ATOM 1368 C ALA A 89 -12.709 0.498 3.430 1.00 0.00 C ATOM 1369 O ALA A 89 -12.027 -0.490 3.164 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.914 1.187 1.350 1.00 0.00 C ATOM 0 H ALA A 89 -15.087 2.508 3.087 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.585 -0.267 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.300 0.482 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.895 1.266 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.433 2.165 1.352 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.314 1.446 4.274 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.027 1.373 4.951 1.00 0.00 C ATOM 1378 C ALA A 90 -10.957 0.150 5.852 1.00 0.00 C ATOM 1379 O ALA A 90 -10.005 -0.629 5.779 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.770 2.641 5.752 1.00 0.00 C ATOM 0 H ALA A 90 -12.867 2.272 4.504 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.250 1.281 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.803 2.567 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.768 3.501 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.555 2.765 6.498 1.00 0.00 H new ATOM 1386 N VAL A 91 -11.971 -0.027 6.696 1.00 0.00 N ATOM 1387 CA VAL A 91 -12.002 -1.171 7.593 1.00 0.00 C ATOM 1388 C VAL A 91 -12.181 -2.459 6.804 1.00 0.00 C ATOM 1389 O VAL A 91 -11.468 -3.436 7.029 1.00 0.00 O ATOM 1390 CB VAL A 91 -13.108 -1.063 8.656 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -12.868 -2.096 9.746 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -13.158 0.343 9.246 1.00 0.00 C ATOM 0 H VAL A 91 -12.771 0.601 6.775 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.045 -1.183 8.114 1.00 0.00 H new ATOM 0 HB VAL A 91 -14.071 -1.259 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.652 -2.019 10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.881 -3.095 9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.899 -1.916 10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.948 0.395 9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.200 0.577 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.362 1.063 8.453 1.00 0.00 H new ATOM 1402 N SER A 92 -13.112 -2.446 5.853 1.00 0.00 N ATOM 1403 CA SER A 92 -13.343 -3.612 5.010 1.00 0.00 C ATOM 1404 C SER A 92 -12.079 -3.935 4.214 1.00 0.00 C ATOM 1405 O SER A 92 -11.952 -5.012 3.633 1.00 0.00 O ATOM 1406 CB SER A 92 -14.523 -3.384 4.063 1.00 0.00 C ATOM 1407 OG SER A 92 -15.647 -2.875 4.760 1.00 0.00 O ATOM 0 H SER A 92 -13.713 -1.647 5.649 1.00 0.00 H new ATOM 0 HA SER A 92 -13.589 -4.457 5.653 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.233 -2.687 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.788 -4.322 3.575 1.00 0.00 H new ATOM 0 HG SER A 92 -15.532 -1.913 4.908 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.145 -2.987 4.190 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.892 -3.156 3.480 1.00 0.00 C ATOM 1415 C ALA A 93 -8.945 -4.072 4.237 1.00 0.00 C ATOM 1416 O ALA A 93 -8.418 -5.039 3.686 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.230 -1.811 3.269 1.00 0.00 C ATOM 0 H ALA A 93 -11.240 -2.087 4.661 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.115 -3.613 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.290 -1.948 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.889 -1.169 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.034 -1.346 4.235 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.715 -3.738 5.500 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.806 -4.506 6.353 1.00 0.00 C ATOM 1425 C TYR A 94 -8.212 -5.966 6.410 1.00 0.00 C ATOM 1426 O TYR A 94 -7.369 -6.859 6.491 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.769 -3.943 7.779 1.00 0.00 C ATOM 1428 CG TYR A 94 -7.849 -2.437 7.862 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -6.923 -1.641 7.207 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -8.847 -1.813 8.602 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -6.985 -0.267 7.285 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -8.915 -0.437 8.683 1.00 0.00 C ATOM 1433 CZ TYR A 94 -7.984 0.333 8.024 1.00 0.00 C ATOM 1434 OH TYR A 94 -8.050 1.706 8.105 1.00 0.00 O ATOM 0 H TYR A 94 -9.146 -2.937 5.962 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.813 -4.424 5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.597 -4.370 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.849 -4.272 8.262 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.140 -2.105 6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.579 -2.414 9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.254 0.339 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.696 0.034 9.261 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.148 2.082 7.205 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.509 -6.192 6.372 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.046 -7.544 6.424 1.00 0.00 C ATOM 1446 C GLN A 95 -9.830 -8.248 5.092 1.00 0.00 C ATOM 1447 O GLN A 95 -9.617 -9.460 5.040 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.536 -7.506 6.766 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.390 -6.867 5.685 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.977 -7.879 4.721 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.713 -9.077 4.821 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.781 -7.400 3.776 1.00 0.00 N ATOM 0 H GLN A 95 -10.215 -5.459 6.305 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.522 -8.100 7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.887 -8.523 6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.673 -6.957 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.199 -6.306 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.786 -6.150 5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.973 -6.399 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.205 -8.033 3.098 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.901 -7.475 4.017 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.731 -8.004 2.680 1.00 0.00 C ATOM 1463 C GLN A 96 -8.324 -7.745 2.131 1.00 0.00 C ATOM 1464 O GLN A 96 -8.078 -7.945 0.942 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.780 -7.392 1.755 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.496 -5.944 1.392 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.711 -5.229 0.839 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -12.849 -5.615 1.108 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -11.475 -4.181 0.061 1.00 0.00 N ATOM 0 H GLN A 96 -10.077 -6.471 4.051 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.862 -9.085 2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.836 -7.983 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.757 -7.453 2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.140 -5.415 2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.693 -5.909 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.515 -3.897 -0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.253 -3.659 -0.341 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.406 -7.305 2.993 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.047 -7.041 2.547 1.00 0.00 C ATOM 1480 C GLY A 97 -5.617 -5.597 2.739 1.00 0.00 C ATOM 1481 O GLY A 97 -5.585 -4.821 1.783 1.00 0.00 O ATOM 0 H GLY A 97 -7.578 -7.128 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.362 -7.691 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.962 -7.300 1.492 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.266 -5.240 3.972 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.814 -3.887 4.275 1.00 0.00 C ATOM 1487 C ALA A 98 -4.222 -3.794 5.671 1.00 0.00 C ATOM 1488 O ALA A 98 -4.780 -4.321 6.635 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.934 -2.883 4.101 1.00 0.00 C ATOM 0 H ALA A 98 -5.286 -5.868 4.775 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.026 -3.644 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.566 -1.884 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.288 -2.908 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.755 -3.133 4.773 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.082 -3.124 5.774 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.410 -2.968 7.049 1.00 0.00 C ATOM 1497 C PHE A 99 -3.122 -1.945 7.927 1.00 0.00 C ATOM 1498 O PHE A 99 -3.449 -2.230 9.078 1.00 0.00 O ATOM 1499 CB PHE A 99 -0.955 -2.554 6.844 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.088 -2.848 8.034 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.201 -4.054 8.708 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.829 -1.915 8.485 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.586 -4.322 9.811 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.621 -2.179 9.586 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.498 -3.384 10.250 1.00 0.00 C ATOM 0 H PHE A 99 -2.606 -2.681 4.988 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.436 -3.933 7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.555 -3.073 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.914 -1.487 6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.912 -4.792 8.367 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.927 -0.970 7.971 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.488 -5.264 10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.335 -1.444 9.927 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.115 -3.592 11.112 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.357 -0.753 7.384 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.030 0.298 8.143 1.00 0.00 C ATOM 1517 C ASP A 100 -4.175 1.583 7.333 1.00 0.00 C ATOM 1518 O ASP A 100 -3.967 1.600 6.120 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.273 0.579 9.444 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.194 0.619 10.647 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.369 1.013 10.483 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -3.743 0.255 11.754 1.00 0.00 O ATOM 0 H ASP A 100 -3.095 -0.492 6.433 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.033 -0.059 8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.515 -0.190 9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.749 1.531 9.359 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.541 2.655 8.027 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.732 3.962 7.407 1.00 0.00 C ATOM 1529 C TYR A 101 -4.097 5.052 8.265 1.00 0.00 C ATOM 1530 O TYR A 101 -3.977 4.900 9.481 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.228 4.253 7.241 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.782 3.919 5.875 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.147 2.621 5.551 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -6.962 4.906 4.918 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.678 2.314 4.312 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.486 4.608 3.674 1.00 0.00 C ATOM 1537 CZ TYR A 101 -7.845 3.313 3.377 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.374 3.014 2.141 1.00 0.00 O ATOM 0 H TYR A 101 -4.713 2.643 9.032 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.254 3.952 6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.781 3.688 7.992 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.405 5.309 7.443 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.014 1.835 6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.688 5.925 5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -7.960 1.298 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.613 5.388 2.938 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.866 3.482 1.446 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.697 6.153 7.637 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.088 7.257 8.368 1.00 0.00 C ATOM 1550 C LEU A 102 -4.087 8.397 8.562 1.00 0.00 C ATOM 1551 O LEU A 102 -4.604 8.948 7.591 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.848 7.785 7.634 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.562 6.949 7.767 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.387 6.380 9.169 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.541 5.842 6.726 1.00 0.00 C ATOM 0 H LEU A 102 -3.783 6.304 6.632 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.786 6.877 9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.090 7.872 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.640 8.791 7.997 1.00 0.00 H new ATOM 0 HG LEU A 102 0.281 7.616 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.534 5.798 9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.335 7.197 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.234 5.737 9.409 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.374 5.260 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.404 5.191 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.578 6.280 5.728 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.377 8.766 9.825 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.323 9.844 10.129 1.00 0.00 C ATOM 1569 C PRO A 103 -4.818 11.210 9.665 1.00 0.00 C ATOM 1570 O PRO A 103 -5.244 11.715 8.627 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.458 9.799 11.654 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.234 9.098 12.141 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.811 8.160 11.045 1.00 0.00 C ATOM 0 HA PRO A 103 -6.272 9.706 9.611 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.528 10.803 12.072 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.361 9.266 11.953 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.442 9.812 12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.441 8.551 13.061 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.726 8.079 10.985 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.197 7.154 11.208 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.910 11.809 10.434 1.00 0.00 N ATOM 1582 CA LYS A 104 -3.363 13.114 10.080 1.00 0.00 C ATOM 1583 C LYS A 104 -1.908 13.005 9.627 1.00 0.00 C ATOM 1584 O LYS A 104 -1.583 13.383 8.500 1.00 0.00 O ATOM 1585 CB LYS A 104 -3.489 14.095 11.245 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.616 15.539 10.793 1.00 0.00 C ATOM 1587 CD LYS A 104 -5.063 16.000 10.801 1.00 0.00 C ATOM 1588 CE LYS A 104 -5.349 16.904 11.988 1.00 0.00 C ATOM 1589 NZ LYS A 104 -6.254 18.026 11.620 1.00 0.00 N ATOM 0 H LYS A 104 -3.541 11.414 11.299 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.947 13.497 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.360 13.829 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.616 13.998 11.891 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.025 16.180 11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.205 15.644 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.282 16.532 9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.723 15.133 10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.801 16.320 12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.412 17.304 12.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.426 18.621 12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.812 18.598 10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.158 17.644 11.275 1.00 0.00 H new ATOM 1603 N PRO A 105 -1.003 12.472 10.472 1.00 0.00 N ATOM 1604 CA PRO A 105 0.395 12.317 10.097 1.00 0.00 C ATOM 1605 C PRO A 105 0.582 11.097 9.212 1.00 0.00 C ATOM 1606 O PRO A 105 -0.290 10.230 9.157 1.00 0.00 O ATOM 1607 CB PRO A 105 1.103 12.141 11.437 1.00 0.00 C ATOM 1608 CG PRO A 105 0.088 11.493 12.315 1.00 0.00 C ATOM 1609 CD PRO A 105 -1.267 11.956 11.832 1.00 0.00 C ATOM 0 HA PRO A 105 0.782 13.159 9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.994 11.521 11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.426 13.099 11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.167 10.407 12.261 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.243 11.773 13.357 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.986 11.137 11.816 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.679 12.730 12.480 1.00 0.00 H new ATOM 1617 N PHE A 106 1.710 11.025 8.521 1.00 0.00 N ATOM 1618 CA PHE A 106 1.988 9.901 7.647 1.00 0.00 C ATOM 1619 C PHE A 106 3.324 10.081 6.918 1.00 0.00 C ATOM 1620 O PHE A 106 4.365 9.673 7.430 1.00 0.00 O ATOM 1621 CB PHE A 106 0.835 9.642 6.659 1.00 0.00 C ATOM 1622 CG PHE A 106 0.450 10.776 5.754 1.00 0.00 C ATOM 1623 CD1 PHE A 106 0.009 11.993 6.250 1.00 0.00 C ATOM 1624 CD2 PHE A 106 0.511 10.598 4.385 1.00 0.00 C ATOM 1625 CE1 PHE A 106 -0.360 13.012 5.393 1.00 0.00 C ATOM 1626 CE2 PHE A 106 0.147 11.612 3.521 1.00 0.00 C ATOM 1627 CZ PHE A 106 -0.292 12.820 4.026 1.00 0.00 C ATOM 0 H PHE A 106 2.445 11.732 8.550 1.00 0.00 H new ATOM 0 HA PHE A 106 2.072 9.015 8.277 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.106 8.789 6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.045 9.352 7.233 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.047 12.146 7.318 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.848 9.653 3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.701 13.957 5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.206 11.461 2.453 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.582 13.614 3.354 1.00 0.00 H new ATOM 1637 N ASP A 107 3.302 10.677 5.730 1.00 0.00 N ATOM 1638 CA ASP A 107 4.524 10.882 4.955 1.00 0.00 C ATOM 1639 C ASP A 107 5.383 9.619 4.979 1.00 0.00 C ATOM 1640 O ASP A 107 4.905 8.555 5.363 1.00 0.00 O ATOM 1641 CB ASP A 107 5.307 12.085 5.490 1.00 0.00 C ATOM 1642 CG ASP A 107 5.725 11.918 6.938 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.541 11.017 7.219 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.237 12.690 7.790 1.00 0.00 O ATOM 0 H ASP A 107 2.454 11.026 5.283 1.00 0.00 H new ATOM 0 HA ASP A 107 4.250 11.092 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.195 12.237 4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.695 12.982 5.394 1.00 0.00 H new ATOM 1649 N ILE A 108 6.640 9.726 4.572 1.00 0.00 N ATOM 1650 CA ILE A 108 7.522 8.563 4.560 1.00 0.00 C ATOM 1651 C ILE A 108 7.813 8.069 5.968 1.00 0.00 C ATOM 1652 O ILE A 108 7.796 6.867 6.232 1.00 0.00 O ATOM 1653 CB ILE A 108 8.836 8.857 3.803 1.00 0.00 C ATOM 1654 CG1 ILE A 108 8.885 8.028 2.524 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.057 8.561 4.659 1.00 0.00 C ATOM 1656 CD1 ILE A 108 7.766 8.346 1.557 1.00 0.00 C ATOM 0 H ILE A 108 7.070 10.593 4.249 1.00 0.00 H new ATOM 0 HA ILE A 108 6.997 7.770 4.028 1.00 0.00 H new ATOM 0 HB ILE A 108 8.854 9.919 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.841 8.195 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.841 6.970 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.961 8.780 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.032 9.181 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.054 7.509 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.863 7.720 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.806 8.152 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.822 9.396 1.268 1.00 0.00 H new ATOM 1668 N ASP A 109 8.086 8.996 6.862 1.00 0.00 N ATOM 1669 CA ASP A 109 8.389 8.653 8.245 1.00 0.00 C ATOM 1670 C ASP A 109 7.354 7.684 8.813 1.00 0.00 C ATOM 1671 O ASP A 109 7.696 6.588 9.252 1.00 0.00 O ATOM 1672 CB ASP A 109 8.452 9.913 9.106 1.00 0.00 C ATOM 1673 CG ASP A 109 9.153 9.671 10.429 1.00 0.00 C ATOM 1674 OD1 ASP A 109 8.598 8.931 11.268 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.258 10.220 10.624 1.00 0.00 O ATOM 0 H ASP A 109 8.106 9.996 6.660 1.00 0.00 H new ATOM 0 HA ASP A 109 9.362 8.162 8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.974 10.698 8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.441 10.273 9.294 1.00 0.00 H new ATOM 1680 N GLU A 110 6.090 8.095 8.804 1.00 0.00 N ATOM 1681 CA GLU A 110 5.016 7.262 9.325 1.00 0.00 C ATOM 1682 C GLU A 110 4.620 6.171 8.332 1.00 0.00 C ATOM 1683 O GLU A 110 4.234 5.073 8.730 1.00 0.00 O ATOM 1684 CB GLU A 110 3.801 8.119 9.692 1.00 0.00 C ATOM 1685 CG GLU A 110 3.951 8.880 10.996 1.00 0.00 C ATOM 1686 CD GLU A 110 3.258 8.192 12.156 1.00 0.00 C ATOM 1687 OE1 GLU A 110 2.153 7.647 11.948 1.00 0.00 O ATOM 1688 OE2 GLU A 110 3.822 8.194 13.271 1.00 0.00 O ATOM 0 H GLU A 110 5.786 8.999 8.442 1.00 0.00 H new ATOM 0 HA GLU A 110 5.385 6.772 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.616 8.831 8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.923 7.476 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.010 8.994 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.541 9.883 10.876 1.00 0.00 H new ATOM 1695 N ALA A 111 4.725 6.473 7.041 1.00 0.00 N ATOM 1696 CA ALA A 111 4.385 5.499 6.004 1.00 0.00 C ATOM 1697 C ALA A 111 5.359 4.331 6.044 1.00 0.00 C ATOM 1698 O ALA A 111 4.960 3.185 6.255 1.00 0.00 O ATOM 1699 CB ALA A 111 4.377 6.140 4.623 1.00 0.00 C ATOM 0 H ALA A 111 5.040 7.377 6.688 1.00 0.00 H new ATOM 0 HA ALA A 111 3.379 5.129 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.121 5.390 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.640 6.943 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.364 6.547 4.405 1.00 0.00 H new ATOM 1705 N VAL A 112 6.640 4.629 5.859 1.00 0.00 N ATOM 1706 CA VAL A 112 7.668 3.597 5.900 1.00 0.00 C ATOM 1707 C VAL A 112 7.665 2.905 7.258 1.00 0.00 C ATOM 1708 O VAL A 112 7.992 1.724 7.378 1.00 0.00 O ATOM 1709 CB VAL A 112 9.066 4.166 5.630 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.100 3.049 5.634 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.086 4.921 4.309 1.00 0.00 C ATOM 0 H VAL A 112 6.990 5.570 5.680 1.00 0.00 H new ATOM 0 HA VAL A 112 7.434 2.880 5.113 1.00 0.00 H new ATOM 0 HB VAL A 112 9.319 4.868 6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.088 3.467 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.098 2.555 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.855 2.324 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.085 5.319 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.816 4.244 3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.371 5.742 4.349 1.00 0.00 H new ATOM 1721 N ALA A 113 7.278 3.649 8.274 1.00 0.00 N ATOM 1722 CA ALA A 113 7.201 3.113 9.620 1.00 0.00 C ATOM 1723 C ALA A 113 6.105 2.059 9.687 1.00 0.00 C ATOM 1724 O ALA A 113 6.297 0.968 10.223 1.00 0.00 O ATOM 1725 CB ALA A 113 6.913 4.229 10.606 1.00 0.00 C ATOM 0 H ALA A 113 7.011 4.630 8.194 1.00 0.00 H new ATOM 0 HA ALA A 113 8.155 2.654 9.880 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.857 3.818 11.614 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.711 4.970 10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 113 5.964 4.702 10.353 1.00 0.00 H new ATOM 1731 N LEU A 114 4.953 2.410 9.126 1.00 0.00 N ATOM 1732 CA LEU A 114 3.798 1.526 9.095 1.00 0.00 C ATOM 1733 C LEU A 114 3.982 0.410 8.062 1.00 0.00 C ATOM 1734 O LEU A 114 3.325 -0.626 8.144 1.00 0.00 O ATOM 1735 CB LEU A 114 2.529 2.339 8.788 1.00 0.00 C ATOM 1736 CG LEU A 114 1.193 1.647 9.095 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.146 1.148 10.529 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.032 2.597 8.843 1.00 0.00 C ATOM 0 H LEU A 114 4.796 3.314 8.681 1.00 0.00 H new ATOM 0 HA LEU A 114 3.696 1.058 10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.572 3.269 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.541 2.608 7.732 1.00 0.00 H new ATOM 0 HG LEU A 114 1.106 0.788 8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.187 0.663 10.714 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.952 0.433 10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.265 1.990 11.211 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.907 2.091 9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.133 3.473 9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.037 2.909 7.799 1.00 0.00 H new ATOM 1750 N VAL A 115 4.874 0.618 7.092 1.00 0.00 N ATOM 1751 CA VAL A 115 5.113 -0.393 6.066 1.00 0.00 C ATOM 1752 C VAL A 115 6.022 -1.507 6.581 1.00 0.00 C ATOM 1753 O VAL A 115 5.724 -2.690 6.419 1.00 0.00 O ATOM 1754 CB VAL A 115 5.705 0.200 4.763 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.177 0.543 4.921 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.523 -0.770 3.608 1.00 0.00 C ATOM 0 H VAL A 115 5.434 1.465 6.997 1.00 0.00 H new ATOM 0 HA VAL A 115 4.134 -0.809 5.827 1.00 0.00 H new ATOM 0 HB VAL A 115 5.164 1.122 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.557 0.956 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.296 1.278 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.736 -0.358 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.944 -0.338 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.033 -1.706 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.461 -0.963 3.459 1.00 0.00 H new ATOM 1766 N GLU A 116 7.133 -1.121 7.201 1.00 0.00 N ATOM 1767 CA GLU A 116 8.086 -2.084 7.739 1.00 0.00 C ATOM 1768 C GLU A 116 7.453 -2.915 8.848 1.00 0.00 C ATOM 1769 O GLU A 116 7.706 -4.114 8.961 1.00 0.00 O ATOM 1770 CB GLU A 116 9.328 -1.363 8.259 1.00 0.00 C ATOM 1771 CG GLU A 116 10.147 -0.711 7.156 1.00 0.00 C ATOM 1772 CD GLU A 116 11.531 -0.299 7.618 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.669 0.822 8.147 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.475 -1.098 7.447 1.00 0.00 O ATOM 0 H GLU A 116 7.395 -0.146 7.343 1.00 0.00 H new ATOM 0 HA GLU A 116 8.380 -2.759 6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.024 -0.601 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.955 -2.074 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.239 -1.404 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.616 0.166 6.786 1.00 0.00 H new ATOM 1781 N ARG A 117 6.625 -2.272 9.662 1.00 0.00 N ATOM 1782 CA ARG A 117 5.952 -2.953 10.758 1.00 0.00 C ATOM 1783 C ARG A 117 4.978 -4.001 10.231 1.00 0.00 C ATOM 1784 O ARG A 117 4.656 -4.970 10.920 1.00 0.00 O ATOM 1785 CB ARG A 117 5.219 -1.937 11.633 1.00 0.00 C ATOM 1786 CG ARG A 117 6.155 -1.062 12.451 1.00 0.00 C ATOM 1787 CD ARG A 117 6.900 -1.872 13.498 1.00 0.00 C ATOM 1788 NE ARG A 117 7.095 -1.120 14.733 1.00 0.00 N ATOM 1789 CZ ARG A 117 7.783 -1.576 15.778 1.00 0.00 C ATOM 1790 NH1 ARG A 117 8.344 -2.778 15.739 1.00 0.00 N ATOM 1791 NH2 ARG A 117 7.911 -0.827 16.864 1.00 0.00 N ATOM 0 H ARG A 117 6.404 -1.279 9.583 1.00 0.00 H new ATOM 0 HA ARG A 117 6.703 -3.463 11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.600 -1.302 10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.546 -2.467 12.307 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.871 -0.575 11.789 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.583 -0.272 12.939 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.345 -2.785 13.713 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.869 -2.174 13.101 1.00 0.00 H new ATOM 0 HE ARG A 117 6.680 -0.191 14.800 1.00 0.00 H new ATOM 0 HH11 ARG A 117 8.249 -3.358 14.905 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.870 -3.122 16.543 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.483 0.098 16.899 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.438 -1.176 17.665 1.00 0.00 H new ATOM 1805 N ALA A 118 4.512 -3.799 9.003 1.00 0.00 N ATOM 1806 CA ALA A 118 3.577 -4.719 8.374 1.00 0.00 C ATOM 1807 C ALA A 118 4.274 -5.997 7.934 1.00 0.00 C ATOM 1808 O ALA A 118 3.728 -7.092 8.069 1.00 0.00 O ATOM 1809 CB ALA A 118 2.897 -4.052 7.189 1.00 0.00 C ATOM 0 H ALA A 118 4.770 -3.001 8.422 1.00 0.00 H new ATOM 0 HA ALA A 118 2.820 -4.986 9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.200 -4.752 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.354 -3.171 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.649 -3.754 6.458 1.00 0.00 H new ATOM 1815 N ILE A 119 5.484 -5.853 7.411 1.00 0.00 N ATOM 1816 CA ILE A 119 6.255 -6.995 6.955 1.00 0.00 C ATOM 1817 C ILE A 119 6.755 -7.813 8.136 1.00 0.00 C ATOM 1818 O ILE A 119 6.915 -9.031 8.045 1.00 0.00 O ATOM 1819 CB ILE A 119 7.451 -6.545 6.099 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.995 -5.537 5.044 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.120 -7.740 5.440 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.004 -4.448 4.778 1.00 0.00 C ATOM 0 H ILE A 119 5.951 -4.954 7.293 1.00 0.00 H new ATOM 0 HA ILE A 119 5.598 -7.614 6.345 1.00 0.00 H new ATOM 0 HB ILE A 119 8.181 -6.064 6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.788 -6.065 4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.058 -5.083 5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.963 -7.399 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.475 -8.427 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.402 -8.252 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.615 -3.769 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.193 -3.895 5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.934 -4.892 4.424 1.00 0.00 H new ATOM 1834 N SER A 120 6.995 -7.129 9.244 1.00 0.00 N ATOM 1835 CA SER A 120 7.474 -7.774 10.458 1.00 0.00 C ATOM 1836 C SER A 120 6.405 -8.687 11.051 1.00 0.00 C ATOM 1837 O SER A 120 6.716 -9.743 11.604 1.00 0.00 O ATOM 1838 CB SER A 120 7.890 -6.720 11.489 1.00 0.00 C ATOM 1839 OG SER A 120 8.150 -7.309 12.754 1.00 0.00 O ATOM 0 H SER A 120 6.865 -6.121 9.328 1.00 0.00 H new ATOM 0 HA SER A 120 8.340 -8.383 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.780 -6.198 11.139 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.101 -5.974 11.588 1.00 0.00 H new ATOM 0 HG SER A 120 8.415 -6.613 13.391 1.00 0.00 H new ATOM 1845 N HIS A 121 5.146 -8.273 10.940 1.00 0.00 N ATOM 1846 CA HIS A 121 4.035 -9.056 11.471 1.00 0.00 C ATOM 1847 C HIS A 121 3.830 -10.335 10.668 1.00 0.00 C ATOM 1848 O HIS A 121 3.322 -11.331 11.184 1.00 0.00 O ATOM 1849 CB HIS A 121 2.747 -8.230 11.474 1.00 0.00 C ATOM 1850 CG HIS A 121 2.601 -7.362 12.686 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.354 -6.227 12.894 1.00 0.00 N ATOM 1852 CD2 HIS A 121 1.780 -7.469 13.758 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.006 -5.673 14.042 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.052 -6.407 14.585 1.00 0.00 N ATOM 0 H HIS A 121 4.870 -7.401 10.488 1.00 0.00 H new ATOM 0 HA HIS A 121 4.283 -9.330 12.497 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.724 -7.603 10.582 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.892 -8.903 11.413 1.00 0.00 H new ATOM 0 HD1 HIS A 121 4.069 -5.870 12.260 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.048 -8.245 13.930 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.429 -4.774 14.464 1.00 0.00 H new