USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 853 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 Single : A 1 MET CE :methyl -162:sc= -0.118 (180deg=-0.567) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0129 (180deg=-0.214) USER MOD Single : A 5 ASN : amide:sc= -0.336 K(o=-0.34,f=-4.2!) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0323 (180deg=-0.356) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 44:sc= 0.609 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 153:sc= -0.179 (180deg=-0.756) USER MOD Single : A 30 SER OG : rot 156:sc= -1.48! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.97 K(o=-2,f=-3.6!) USER MOD Single : A 48 ASN : amide:sc= -1.91 K(o=-1.9,f=-3.7!) USER MOD Single : A 50 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -43:sc= 1.21 USER MOD Single : A 76 SER OG : rot -112:sc= 0.757 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 89 MET CE :methyl -165:sc= -1.4 (180deg=-2.98) USER MOD Single : A 91 LYS NZ :NH3+ -133:sc= -0.0945 (180deg=-0.452) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 107 TYR OH : rot -130:sc= -1.12 USER MOD Single : A 110 THR OG1 : rot 80:sc= 0.0131 USER MOD Single : A 111 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.082 9.410 15.690 1.00 0.00 N ATOM 2 CA MET A 1 -23.934 9.749 16.570 1.00 0.00 C ATOM 3 C MET A 1 -23.675 8.637 17.581 1.00 0.00 C ATOM 4 O MET A 1 -24.521 8.344 18.428 1.00 0.00 O ATOM 5 CB MET A 1 -24.203 11.065 17.304 1.00 0.00 C ATOM 6 CG MET A 1 -24.389 12.253 16.373 1.00 0.00 C ATOM 7 SD MET A 1 -22.934 12.581 15.359 1.00 0.00 S ATOM 8 CE MET A 1 -21.719 12.958 16.621 1.00 0.00 C ATOM 0 H1 MET A 1 -25.114 10.073 14.890 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.970 8.440 15.332 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.967 9.479 16.232 1.00 0.00 H new ATOM 0 HA MET A 1 -23.048 9.860 15.944 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.096 10.953 17.919 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.373 11.270 17.981 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.245 12.069 15.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.622 13.139 16.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.877 13.483 16.170 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.172 13.589 17.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.368 12.032 17.076 1.00 0.00 H new ATOM 18 N ALA A 2 -22.502 8.019 17.485 1.00 0.00 N ATOM 19 CA ALA A 2 -22.130 6.939 18.391 1.00 0.00 C ATOM 20 C ALA A 2 -20.646 6.998 18.735 1.00 0.00 C ATOM 21 O ALA A 2 -20.117 6.101 19.391 1.00 0.00 O ATOM 22 CB ALA A 2 -22.478 5.593 17.776 1.00 0.00 C ATOM 0 H ALA A 2 -21.793 8.248 16.789 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.695 7.061 19.315 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.195 4.795 18.463 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.550 5.546 17.587 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.938 5.472 16.837 1.00 0.00 H new ATOM 28 N ASP A 3 -19.983 8.061 18.284 1.00 0.00 N ATOM 29 CA ASP A 3 -18.557 8.248 18.538 1.00 0.00 C ATOM 30 C ASP A 3 -17.736 7.104 17.951 1.00 0.00 C ATOM 31 O ASP A 3 -16.548 6.968 18.243 1.00 0.00 O ATOM 32 CB ASP A 3 -18.292 8.365 20.042 1.00 0.00 C ATOM 33 CG ASP A 3 -18.973 9.572 20.657 1.00 0.00 C ATOM 34 OD1 ASP A 3 -20.206 9.524 20.851 1.00 0.00 O ATOM 35 OD2 ASP A 3 -18.272 10.565 20.946 1.00 0.00 O ATOM 0 H ASP A 3 -20.413 8.808 17.739 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.251 9.173 18.050 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.641 7.461 20.541 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.218 8.430 20.215 1.00 0.00 H new ATOM 40 N GLU A 4 -18.375 6.284 17.120 1.00 0.00 N ATOM 41 CA GLU A 4 -17.702 5.151 16.493 1.00 0.00 C ATOM 42 C GLU A 4 -18.235 4.905 15.085 1.00 0.00 C ATOM 43 O GLU A 4 -17.464 4.723 14.143 1.00 0.00 O ATOM 44 CB GLU A 4 -17.884 3.887 17.339 1.00 0.00 C ATOM 45 CG GLU A 4 -17.302 3.996 18.740 1.00 0.00 C ATOM 46 CD GLU A 4 -17.508 2.734 19.555 1.00 0.00 C ATOM 47 OE1 GLU A 4 -16.650 1.829 19.475 1.00 0.00 O ATOM 48 OE2 GLU A 4 -18.525 2.651 20.275 1.00 0.00 O ATOM 0 H GLU A 4 -19.358 6.384 16.866 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.641 5.391 16.426 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.948 3.662 17.414 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.416 3.047 16.826 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.235 4.210 18.671 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.763 4.838 19.257 1.00 0.00 H new ATOM 55 N ASN A 5 -19.559 4.902 14.950 1.00 0.00 N ATOM 56 CA ASN A 5 -20.195 4.670 13.657 1.00 0.00 C ATOM 57 C ASN A 5 -20.128 5.906 12.771 1.00 0.00 C ATOM 58 O ASN A 5 -21.097 6.656 12.653 1.00 0.00 O ATOM 59 CB ASN A 5 -21.653 4.246 13.849 1.00 0.00 C ATOM 60 CG ASN A 5 -21.789 3.017 14.724 1.00 0.00 C ATOM 61 OD1 ASN A 5 -21.920 3.119 15.944 1.00 0.00 O ATOM 62 ND2 ASN A 5 -21.756 1.842 14.105 1.00 0.00 N ATOM 0 H ASN A 5 -20.211 5.057 15.719 1.00 0.00 H new ATOM 0 HA ASN A 5 -19.648 3.868 13.161 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -22.212 5.069 14.295 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -22.101 4.047 12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -21.841 0.980 14.643 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -21.646 1.802 13.092 1.00 0.00 H new ATOM 69 N LYS A 6 -18.969 6.116 12.156 1.00 0.00 N ATOM 70 CA LYS A 6 -18.768 7.251 11.263 1.00 0.00 C ATOM 71 C LYS A 6 -18.517 6.759 9.842 1.00 0.00 C ATOM 72 O LYS A 6 -17.493 7.076 9.235 1.00 0.00 O ATOM 73 CB LYS A 6 -17.591 8.111 11.738 1.00 0.00 C ATOM 74 CG LYS A 6 -17.960 9.123 12.813 1.00 0.00 C ATOM 75 CD LYS A 6 -18.405 8.445 14.098 1.00 0.00 C ATOM 76 CE LYS A 6 -18.670 9.460 15.196 1.00 0.00 C ATOM 77 NZ LYS A 6 -17.447 10.233 15.547 1.00 0.00 N ATOM 0 H LYS A 6 -18.153 5.513 12.260 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.669 7.864 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.808 7.457 12.122 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.173 8.641 10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.103 9.764 13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.759 9.767 12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.308 7.865 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.638 7.744 14.426 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.453 10.147 14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.041 8.946 16.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.582 10.696 16.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.632 9.589 15.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.272 10.955 14.819 1.00 0.00 H new ATOM 91 N TRP A 7 -19.461 5.975 9.323 1.00 0.00 N ATOM 92 CA TRP A 7 -19.351 5.422 7.978 1.00 0.00 C ATOM 93 C TRP A 7 -18.150 4.488 7.892 1.00 0.00 C ATOM 94 O TRP A 7 -17.697 4.135 6.803 1.00 0.00 O ATOM 95 CB TRP A 7 -19.232 6.545 6.940 1.00 0.00 C ATOM 96 CG TRP A 7 -20.411 7.473 6.929 1.00 0.00 C ATOM 97 CD1 TRP A 7 -20.909 8.179 7.988 1.00 0.00 C ATOM 98 CD2 TRP A 7 -21.237 7.802 5.806 1.00 0.00 C ATOM 99 NE1 TRP A 7 -21.993 8.924 7.592 1.00 0.00 N ATOM 100 CE2 TRP A 7 -22.215 8.709 6.256 1.00 0.00 C ATOM 101 CE3 TRP A 7 -21.246 7.416 4.461 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -23.189 9.237 5.410 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -22.213 7.940 3.623 1.00 0.00 C ATOM 104 CH2 TRP A 7 -23.172 8.842 4.101 1.00 0.00 C ATOM 0 H TRP A 7 -20.313 5.709 9.817 1.00 0.00 H new ATOM 0 HA TRP A 7 -20.255 4.852 7.762 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -18.328 7.120 7.140 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -19.117 6.104 5.950 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -20.508 8.155 8.991 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -22.543 9.537 8.194 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -20.510 6.721 4.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -23.930 9.933 5.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -22.229 7.649 2.583 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -23.914 9.234 3.421 1.00 0.00 H new ATOM 115 N VAL A 8 -17.648 4.088 9.056 1.00 0.00 N ATOM 116 CA VAL A 8 -16.498 3.194 9.136 1.00 0.00 C ATOM 117 C VAL A 8 -16.921 1.745 8.923 1.00 0.00 C ATOM 118 O VAL A 8 -16.341 1.033 8.102 1.00 0.00 O ATOM 119 CB VAL A 8 -15.797 3.315 10.502 1.00 0.00 C ATOM 120 CG1 VAL A 8 -14.463 2.584 10.492 1.00 0.00 C ATOM 121 CG2 VAL A 8 -15.612 4.775 10.882 1.00 0.00 C ATOM 0 H VAL A 8 -18.022 4.371 9.962 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.804 3.489 8.349 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.432 2.846 11.254 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.986 2.683 11.467 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.628 1.529 10.275 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.817 3.015 9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.115 4.839 11.850 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.003 5.273 10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.585 5.262 10.941 1.00 0.00 H new ATOM 131 N ARG A 9 -17.933 1.312 9.671 1.00 0.00 N ATOM 132 CA ARG A 9 -18.437 -0.053 9.566 1.00 0.00 C ATOM 133 C ARG A 9 -19.958 -0.072 9.584 1.00 0.00 C ATOM 134 O ARG A 9 -20.576 -1.095 9.290 1.00 0.00 O ATOM 135 CB ARG A 9 -17.888 -0.919 10.702 1.00 0.00 C ATOM 136 CG ARG A 9 -16.372 -1.038 10.704 1.00 0.00 C ATOM 137 CD ARG A 9 -15.886 -1.914 11.850 1.00 0.00 C ATOM 138 NE ARG A 9 -14.435 -2.083 11.837 1.00 0.00 N ATOM 139 CZ ARG A 9 -13.773 -2.854 12.698 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.431 -3.524 13.636 1.00 0.00 N ATOM 141 NH2 ARG A 9 -12.454 -2.955 12.621 1.00 0.00 N ATOM 0 H ARG A 9 -18.420 1.888 10.357 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.097 -0.464 8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.212 -0.500 11.655 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.322 -1.916 10.628 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.037 -1.458 9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.928 -0.046 10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.190 -1.471 12.798 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.365 -2.891 11.787 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.899 -1.582 11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.446 -3.449 13.699 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.921 -4.114 14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.944 -2.442 11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.948 -3.546 13.281 1.00 0.00 H new ATOM 155 N ARG A 10 -20.557 1.059 9.935 1.00 0.00 N ATOM 156 CA ARG A 10 -22.007 1.162 9.972 1.00 0.00 C ATOM 157 C ARG A 10 -22.569 0.916 8.576 1.00 0.00 C ATOM 158 O ARG A 10 -22.468 1.778 7.703 1.00 0.00 O ATOM 159 CB ARG A 10 -22.431 2.541 10.487 1.00 0.00 C ATOM 160 CG ARG A 10 -23.916 2.655 10.794 1.00 0.00 C ATOM 161 CD ARG A 10 -24.687 3.248 9.625 1.00 0.00 C ATOM 162 NE ARG A 10 -24.244 4.603 9.308 1.00 0.00 N ATOM 163 CZ ARG A 10 -25.073 5.617 9.083 1.00 0.00 C ATOM 164 NH1 ARG A 10 -26.385 5.435 9.146 1.00 0.00 N ATOM 165 NH2 ARG A 10 -24.590 6.818 8.796 1.00 0.00 N ATOM 0 H ARG A 10 -20.063 1.912 10.196 1.00 0.00 H new ATOM 0 HA ARG A 10 -22.403 0.409 10.653 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -21.865 2.771 11.390 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -22.165 3.293 9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -24.316 1.669 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -24.058 3.277 11.677 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -24.563 2.612 8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -25.751 3.261 9.862 1.00 0.00 H new ATOM 0 HE ARG A 10 -23.241 4.781 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -26.762 4.514 9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -27.017 6.216 8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -23.582 6.964 8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -25.227 7.596 8.623 1.00 0.00 H new ATOM 179 N ASP A 11 -23.135 -0.277 8.373 1.00 0.00 N ATOM 180 CA ASP A 11 -23.709 -0.667 7.082 1.00 0.00 C ATOM 181 C ASP A 11 -22.616 -0.994 6.065 1.00 0.00 C ATOM 182 O ASP A 11 -22.870 -1.665 5.064 1.00 0.00 O ATOM 183 CB ASP A 11 -24.604 0.441 6.533 1.00 0.00 C ATOM 184 CG ASP A 11 -25.329 0.028 5.268 1.00 0.00 C ATOM 185 OD1 ASP A 11 -26.334 -0.706 5.371 1.00 0.00 O ATOM 186 OD2 ASP A 11 -24.889 0.434 4.172 1.00 0.00 O ATOM 0 H ASP A 11 -23.208 -0.995 9.093 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.308 -1.562 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -25.335 0.723 7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -23.999 1.325 6.329 1.00 0.00 H new ATOM 191 N VAL A 12 -21.405 -0.516 6.328 1.00 0.00 N ATOM 192 CA VAL A 12 -20.273 -0.743 5.437 1.00 0.00 C ATOM 193 C VAL A 12 -20.038 -2.233 5.194 1.00 0.00 C ATOM 194 O VAL A 12 -20.194 -2.716 4.074 1.00 0.00 O ATOM 195 CB VAL A 12 -18.987 -0.115 6.006 1.00 0.00 C ATOM 196 CG1 VAL A 12 -17.820 -0.332 5.059 1.00 0.00 C ATOM 197 CG2 VAL A 12 -19.196 1.367 6.279 1.00 0.00 C ATOM 0 H VAL A 12 -21.181 0.035 7.157 1.00 0.00 H new ATOM 0 HA VAL A 12 -20.519 -0.267 4.488 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.751 -0.606 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.921 0.119 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.658 -1.401 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.042 0.130 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -18.278 1.796 6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -19.458 1.875 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -20.002 1.494 7.002 1.00 0.00 H new ATOM 207 N SER A 13 -19.655 -2.946 6.253 1.00 0.00 N ATOM 208 CA SER A 13 -19.393 -4.383 6.173 1.00 0.00 C ATOM 209 C SER A 13 -18.150 -4.677 5.333 1.00 0.00 C ATOM 210 O SER A 13 -17.066 -4.896 5.875 1.00 0.00 O ATOM 211 CB SER A 13 -20.604 -5.125 5.598 1.00 0.00 C ATOM 212 OG SER A 13 -20.383 -6.525 5.580 1.00 0.00 O ATOM 0 H SER A 13 -19.519 -2.548 7.182 1.00 0.00 H new ATOM 0 HA SER A 13 -19.211 -4.739 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 13 -21.488 -4.901 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 13 -20.804 -4.772 4.586 1.00 0.00 H new ATOM 0 HG SER A 13 -21.171 -6.976 5.210 1.00 0.00 H new ATOM 218 N THR A 14 -18.309 -4.679 4.012 1.00 0.00 N ATOM 219 CA THR A 14 -17.195 -4.955 3.109 1.00 0.00 C ATOM 220 C THR A 14 -16.804 -3.715 2.306 1.00 0.00 C ATOM 221 O THR A 14 -17.393 -3.425 1.264 1.00 0.00 O ATOM 222 CB THR A 14 -17.530 -6.102 2.138 1.00 0.00 C ATOM 223 OG1 THR A 14 -18.735 -5.806 1.422 1.00 0.00 O ATOM 224 CG2 THR A 14 -17.692 -7.415 2.890 1.00 0.00 C ATOM 0 H THR A 14 -19.196 -4.493 3.544 1.00 0.00 H new ATOM 0 HA THR A 14 -16.353 -5.252 3.734 1.00 0.00 H new ATOM 0 HB THR A 14 -16.706 -6.202 1.432 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.717 -4.873 1.123 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.928 -8.212 2.185 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.764 -7.654 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.500 -7.321 3.616 1.00 0.00 H new ATOM 232 N ALA A 15 -15.810 -2.986 2.805 1.00 0.00 N ATOM 233 CA ALA A 15 -15.330 -1.779 2.140 1.00 0.00 C ATOM 234 C ALA A 15 -14.119 -2.073 1.261 1.00 0.00 C ATOM 235 O ALA A 15 -13.598 -1.185 0.585 1.00 0.00 O ATOM 236 CB ALA A 15 -14.980 -0.720 3.173 1.00 0.00 C ATOM 0 H ALA A 15 -15.320 -3.211 3.671 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.129 -1.408 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.623 0.177 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.866 -0.477 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.200 -1.099 3.833 1.00 0.00 H new ATOM 242 N LEU A 16 -13.676 -3.323 1.281 1.00 0.00 N ATOM 243 CA LEU A 16 -12.515 -3.743 0.503 1.00 0.00 C ATOM 244 C LEU A 16 -12.691 -3.453 -0.986 1.00 0.00 C ATOM 245 O LEU A 16 -11.714 -3.423 -1.736 1.00 0.00 O ATOM 246 CB LEU A 16 -12.263 -5.236 0.699 1.00 0.00 C ATOM 247 CG LEU A 16 -12.061 -5.684 2.148 1.00 0.00 C ATOM 248 CD1 LEU A 16 -13.384 -6.097 2.773 1.00 0.00 C ATOM 249 CD2 LEU A 16 -11.058 -6.825 2.216 1.00 0.00 C ATOM 0 H LEU A 16 -14.105 -4.068 1.830 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.660 -3.170 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.105 -5.787 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.381 -5.517 0.124 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.665 -4.842 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.217 -6.412 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.073 -5.252 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.812 -6.924 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.926 -7.132 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.426 -7.669 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.102 -6.494 1.811 1.00 0.00 H new ATOM 261 N SER A 17 -13.935 -3.247 -1.410 1.00 0.00 N ATOM 262 CA SER A 17 -14.232 -2.972 -2.814 1.00 0.00 C ATOM 263 C SER A 17 -13.305 -1.901 -3.382 1.00 0.00 C ATOM 264 O SER A 17 -12.669 -2.107 -4.416 1.00 0.00 O ATOM 265 CB SER A 17 -15.688 -2.531 -2.971 1.00 0.00 C ATOM 266 OG SER A 17 -16.578 -3.537 -2.517 1.00 0.00 O ATOM 0 H SER A 17 -14.754 -3.265 -0.802 1.00 0.00 H new ATOM 0 HA SER A 17 -14.070 -3.894 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.856 -1.612 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.892 -2.306 -4.018 1.00 0.00 H new ATOM 0 HG SER A 17 -17.502 -3.230 -2.626 1.00 0.00 H new ATOM 272 N ARG A 18 -13.225 -0.766 -2.689 1.00 0.00 N ATOM 273 CA ARG A 18 -12.379 0.349 -3.116 1.00 0.00 C ATOM 274 C ARG A 18 -12.586 1.560 -2.214 1.00 0.00 C ATOM 275 O ARG A 18 -12.067 2.644 -2.480 1.00 0.00 O ATOM 276 CB ARG A 18 -12.689 0.733 -4.566 1.00 0.00 C ATOM 277 CG ARG A 18 -11.520 0.524 -5.516 1.00 0.00 C ATOM 278 CD ARG A 18 -10.425 1.552 -5.285 1.00 0.00 C ATOM 279 NE ARG A 18 -10.882 2.908 -5.579 1.00 0.00 N ATOM 280 CZ ARG A 18 -10.204 4.003 -5.252 1.00 0.00 C ATOM 281 NH1 ARG A 18 -9.049 3.906 -4.607 1.00 0.00 N ATOM 282 NH2 ARG A 18 -10.682 5.198 -5.567 1.00 0.00 N ATOM 0 H ARG A 18 -13.739 -0.593 -1.825 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.340 0.028 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.539 0.146 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.990 1.780 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.114 -0.478 -5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.871 0.589 -6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.089 1.498 -4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.565 1.314 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.773 3.021 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.678 2.988 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.532 4.749 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.571 5.278 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.161 6.038 -5.316 1.00 0.00 H new ATOM 296 N MET A 19 -13.345 1.364 -1.142 1.00 0.00 N ATOM 297 CA MET A 19 -13.637 2.436 -0.198 1.00 0.00 C ATOM 298 C MET A 19 -12.359 2.960 0.452 1.00 0.00 C ATOM 299 O MET A 19 -12.190 4.168 0.620 1.00 0.00 O ATOM 300 CB MET A 19 -14.611 1.940 0.871 1.00 0.00 C ATOM 301 CG MET A 19 -15.737 1.080 0.313 1.00 0.00 C ATOM 302 SD MET A 19 -17.213 1.107 1.347 1.00 0.00 S ATOM 303 CE MET A 19 -17.740 2.807 1.142 1.00 0.00 C ATOM 0 H MET A 19 -13.771 0.468 -0.904 1.00 0.00 H new ATOM 0 HA MET A 19 -14.097 3.258 -0.746 1.00 0.00 H new ATOM 0 HB2 MET A 19 -14.060 1.365 1.615 1.00 0.00 H new ATOM 0 HB3 MET A 19 -15.041 2.799 1.386 1.00 0.00 H new ATOM 0 HG2 MET A 19 -15.993 1.429 -0.687 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.388 0.052 0.213 1.00 0.00 H new ATOM 0 HE1 MET A 19 -18.818 2.874 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.235 3.436 1.875 1.00 0.00 H new ATOM 0 HE3 MET A 19 -17.488 3.147 0.137 1.00 0.00 H new ATOM 313 N GLY A 20 -11.462 2.048 0.813 1.00 0.00 N ATOM 314 CA GLY A 20 -10.211 2.443 1.437 1.00 0.00 C ATOM 315 C GLY A 20 -10.394 2.924 2.864 1.00 0.00 C ATOM 316 O GLY A 20 -11.522 3.113 3.318 1.00 0.00 O ATOM 0 H GLY A 20 -11.578 1.043 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.523 1.598 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.750 3.235 0.847 1.00 0.00 H new ATOM 320 N ASP A 21 -9.278 3.126 3.566 1.00 0.00 N ATOM 321 CA ASP A 21 -9.304 3.585 4.955 1.00 0.00 C ATOM 322 C ASP A 21 -10.006 2.569 5.849 1.00 0.00 C ATOM 323 O ASP A 21 -9.360 1.782 6.539 1.00 0.00 O ATOM 324 CB ASP A 21 -9.998 4.946 5.062 1.00 0.00 C ATOM 325 CG ASP A 21 -9.796 5.594 6.417 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.390 5.108 7.402 1.00 0.00 O ATOM 327 OD2 ASP A 21 -9.042 6.587 6.493 1.00 0.00 O ATOM 0 H ASP A 21 -8.340 2.978 3.193 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.273 3.690 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.615 5.608 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.065 4.822 4.877 1.00 0.00 H new ATOM 332 N GLU A 22 -11.334 2.595 5.833 1.00 0.00 N ATOM 333 CA GLU A 22 -12.130 1.670 6.627 1.00 0.00 C ATOM 334 C GLU A 22 -11.935 0.241 6.132 1.00 0.00 C ATOM 335 O GLU A 22 -12.310 -0.720 6.804 1.00 0.00 O ATOM 336 CB GLU A 22 -13.609 2.052 6.546 1.00 0.00 C ATOM 337 CG GLU A 22 -14.163 2.008 5.131 1.00 0.00 C ATOM 338 CD GLU A 22 -14.918 3.269 4.760 1.00 0.00 C ATOM 339 OE1 GLU A 22 -14.263 4.265 4.390 1.00 0.00 O ATOM 340 OE2 GLU A 22 -16.165 3.258 4.833 1.00 0.00 O ATOM 0 H GLU A 22 -11.883 3.250 5.276 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.801 1.729 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.187 1.376 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.741 3.056 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.343 1.860 4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.827 1.149 5.031 1.00 0.00 H new ATOM 347 N ALA A 23 -11.343 0.112 4.947 1.00 0.00 N ATOM 348 CA ALA A 23 -11.097 -1.192 4.347 1.00 0.00 C ATOM 349 C ALA A 23 -9.653 -1.632 4.547 1.00 0.00 C ATOM 350 O ALA A 23 -9.262 -2.714 4.113 1.00 0.00 O ATOM 351 CB ALA A 23 -11.430 -1.157 2.865 1.00 0.00 C ATOM 0 H ALA A 23 -11.024 0.900 4.383 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.742 -1.917 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.242 -2.137 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.480 -0.896 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.807 -0.413 2.370 1.00 0.00 H new ATOM 357 N PHE A 24 -8.867 -0.791 5.209 1.00 0.00 N ATOM 358 CA PHE A 24 -7.464 -1.093 5.459 1.00 0.00 C ATOM 359 C PHE A 24 -7.317 -2.327 6.340 1.00 0.00 C ATOM 360 O PHE A 24 -6.539 -3.228 6.036 1.00 0.00 O ATOM 361 CB PHE A 24 -6.777 0.103 6.113 1.00 0.00 C ATOM 362 CG PHE A 24 -5.334 0.224 5.732 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.424 -0.739 6.127 1.00 0.00 C ATOM 364 CD2 PHE A 24 -4.890 1.294 4.973 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.097 -0.639 5.776 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.561 1.401 4.619 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.662 0.433 5.021 1.00 0.00 C ATOM 0 H PHE A 24 -9.178 0.106 5.582 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.986 -1.300 4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.300 1.016 5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.856 0.013 7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.758 -1.579 6.718 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.591 2.052 4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.396 -1.398 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.224 2.240 4.029 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.621 0.514 4.746 1.00 0.00 H new ATOM 377 N GLU A 25 -8.060 -2.358 7.438 1.00 0.00 N ATOM 378 CA GLU A 25 -8.013 -3.489 8.360 1.00 0.00 C ATOM 379 C GLU A 25 -8.479 -4.789 7.696 1.00 0.00 C ATOM 380 O GLU A 25 -7.730 -5.762 7.666 1.00 0.00 O ATOM 381 CB GLU A 25 -8.858 -3.218 9.596 1.00 0.00 C ATOM 382 CG GLU A 25 -8.064 -2.698 10.782 1.00 0.00 C ATOM 383 CD GLU A 25 -8.946 -2.339 11.961 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.247 -3.239 12.772 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.338 -1.158 12.071 1.00 0.00 O ATOM 0 H GLU A 25 -8.702 -1.615 7.713 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.971 -3.611 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.632 -2.493 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.365 -4.138 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.341 -3.454 11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.496 -1.819 10.477 1.00 0.00 H new ATOM 392 N PRO A 26 -9.725 -4.841 7.161 1.00 0.00 N ATOM 393 CA PRO A 26 -10.238 -6.052 6.507 1.00 0.00 C ATOM 394 C PRO A 26 -9.316 -6.495 5.384 1.00 0.00 C ATOM 395 O PRO A 26 -9.395 -7.621 4.894 1.00 0.00 O ATOM 396 CB PRO A 26 -11.604 -5.631 5.949 1.00 0.00 C ATOM 397 CG PRO A 26 -11.613 -4.141 5.996 1.00 0.00 C ATOM 398 CD PRO A 26 -10.713 -3.751 7.132 1.00 0.00 C ATOM 0 HA PRO A 26 -10.307 -6.895 7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.739 -5.992 4.929 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.416 -6.047 6.545 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.257 -3.720 5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.623 -3.763 6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.242 -2.783 6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.259 -3.676 8.072 1.00 0.00 H new ATOM 406 N LEU A 27 -8.441 -5.582 4.989 1.00 0.00 N ATOM 407 CA LEU A 27 -7.473 -5.829 3.942 1.00 0.00 C ATOM 408 C LEU A 27 -6.306 -6.635 4.504 1.00 0.00 C ATOM 409 O LEU A 27 -5.773 -7.526 3.843 1.00 0.00 O ATOM 410 CB LEU A 27 -7.016 -4.481 3.384 1.00 0.00 C ATOM 411 CG LEU A 27 -5.531 -4.351 3.065 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.176 -5.180 1.841 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.166 -2.890 2.849 1.00 0.00 C ATOM 0 H LEU A 27 -8.386 -4.646 5.391 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.913 -6.412 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.581 -4.278 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.281 -3.706 4.103 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.957 -4.729 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.112 -5.076 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.407 -6.228 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.754 -4.831 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.103 -2.810 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.746 -2.489 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.388 -2.322 3.753 1.00 0.00 H new ATOM 425 N LEU A 28 -5.917 -6.310 5.734 1.00 0.00 N ATOM 426 CA LEU A 28 -4.838 -7.016 6.411 1.00 0.00 C ATOM 427 C LEU A 28 -5.380 -8.291 7.028 1.00 0.00 C ATOM 428 O LEU A 28 -4.638 -9.233 7.301 1.00 0.00 O ATOM 429 CB LEU A 28 -4.227 -6.144 7.504 1.00 0.00 C ATOM 430 CG LEU A 28 -4.006 -4.691 7.108 1.00 0.00 C ATOM 431 CD1 LEU A 28 -3.867 -3.822 8.344 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.780 -4.560 6.218 1.00 0.00 C ATOM 0 H LEU A 28 -6.336 -5.559 6.282 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.064 -7.255 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.876 -6.173 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.271 -6.575 7.802 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.874 -4.350 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.709 -2.786 8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.775 -3.893 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.016 -4.162 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.638 -3.514 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.901 -4.917 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.921 -5.154 5.315 1.00 0.00 H new ATOM 444 N GLU A 29 -6.690 -8.302 7.253 1.00 0.00 N ATOM 445 CA GLU A 29 -7.349 -9.456 7.830 1.00 0.00 C ATOM 446 C GLU A 29 -7.124 -10.671 6.936 1.00 0.00 C ATOM 447 O GLU A 29 -7.046 -11.806 7.405 1.00 0.00 O ATOM 448 CB GLU A 29 -8.849 -9.190 7.991 1.00 0.00 C ATOM 449 CG GLU A 29 -9.639 -10.402 8.459 1.00 0.00 C ATOM 450 CD GLU A 29 -9.214 -10.884 9.833 1.00 0.00 C ATOM 451 OE1 GLU A 29 -9.766 -10.382 10.835 1.00 0.00 O ATOM 452 OE2 GLU A 29 -8.331 -11.764 9.905 1.00 0.00 O ATOM 0 H GLU A 29 -7.312 -7.521 7.042 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.927 -9.651 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.990 -8.378 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.253 -8.850 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.700 -10.153 8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.514 -11.212 7.740 1.00 0.00 H new ATOM 459 N SER A 30 -7.025 -10.402 5.638 1.00 0.00 N ATOM 460 CA SER A 30 -6.810 -11.438 4.636 1.00 0.00 C ATOM 461 C SER A 30 -5.438 -12.094 4.789 1.00 0.00 C ATOM 462 O SER A 30 -5.247 -13.246 4.400 1.00 0.00 O ATOM 463 CB SER A 30 -6.944 -10.837 3.237 1.00 0.00 C ATOM 464 OG SER A 30 -6.165 -11.554 2.297 1.00 0.00 O ATOM 0 H SER A 30 -7.092 -9.460 5.252 1.00 0.00 H new ATOM 0 HA SER A 30 -7.567 -12.209 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.990 -10.849 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.629 -9.794 3.254 1.00 0.00 H new ATOM 0 HG SER A 30 -6.541 -11.433 1.400 1.00 0.00 H new ATOM 470 N LEU A 31 -4.487 -11.353 5.350 1.00 0.00 N ATOM 471 CA LEU A 31 -3.128 -11.860 5.542 1.00 0.00 C ATOM 472 C LEU A 31 -3.113 -13.154 6.353 1.00 0.00 C ATOM 473 O LEU A 31 -2.126 -13.890 6.338 1.00 0.00 O ATOM 474 CB LEU A 31 -2.259 -10.808 6.238 1.00 0.00 C ATOM 475 CG LEU A 31 -2.183 -9.450 5.536 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.316 -8.490 6.336 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.641 -9.603 4.121 1.00 0.00 C ATOM 0 H LEU A 31 -4.630 -10.399 5.680 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.721 -12.075 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.642 -10.655 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.248 -11.204 6.337 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.191 -9.040 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.271 -7.528 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.745 -8.354 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.310 -8.899 6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.596 -8.625 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.641 -10.035 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.298 -10.258 3.549 1.00 0.00 H new ATOM 489 N SER A 32 -4.206 -13.431 7.057 1.00 0.00 N ATOM 490 CA SER A 32 -4.299 -14.636 7.878 1.00 0.00 C ATOM 491 C SER A 32 -4.883 -15.806 7.090 1.00 0.00 C ATOM 492 O SER A 32 -5.396 -16.762 7.674 1.00 0.00 O ATOM 493 CB SER A 32 -5.156 -14.366 9.116 1.00 0.00 C ATOM 494 OG SER A 32 -4.681 -13.235 9.827 1.00 0.00 O ATOM 0 H SER A 32 -5.038 -12.841 7.077 1.00 0.00 H new ATOM 0 HA SER A 32 -3.289 -14.906 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.192 -14.203 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.146 -15.240 9.767 1.00 0.00 H new ATOM 0 HG SER A 32 -5.246 -13.082 10.613 1.00 0.00 H new ATOM 500 N ASN A 33 -4.797 -15.735 5.765 1.00 0.00 N ATOM 501 CA ASN A 33 -5.321 -16.795 4.910 1.00 0.00 C ATOM 502 C ASN A 33 -4.200 -17.503 4.154 1.00 0.00 C ATOM 503 O ASN A 33 -3.427 -16.874 3.432 1.00 0.00 O ATOM 504 CB ASN A 33 -6.340 -16.224 3.923 1.00 0.00 C ATOM 505 CG ASN A 33 -7.538 -15.618 4.624 1.00 0.00 C ATOM 506 OD1 ASN A 33 -7.570 -14.421 4.903 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.530 -16.448 4.921 1.00 0.00 N ATOM 0 H ASN A 33 -4.371 -14.957 5.261 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.813 -17.528 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.860 -15.465 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.675 -17.015 3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.361 -16.099 5.399 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.462 -17.434 4.671 1.00 0.00 H new ATOM 514 N GLU A 34 -4.120 -18.821 4.330 1.00 0.00 N ATOM 515 CA GLU A 34 -3.096 -19.627 3.671 1.00 0.00 C ATOM 516 C GLU A 34 -3.316 -19.680 2.160 1.00 0.00 C ATOM 517 O GLU A 34 -2.494 -20.230 1.425 1.00 0.00 O ATOM 518 CB GLU A 34 -3.093 -21.047 4.242 1.00 0.00 C ATOM 519 CG GLU A 34 -4.410 -21.781 4.055 1.00 0.00 C ATOM 520 CD GLU A 34 -4.366 -23.204 4.579 1.00 0.00 C ATOM 521 OE1 GLU A 34 -3.957 -24.105 3.817 1.00 0.00 O ATOM 522 OE2 GLU A 34 -4.741 -23.417 5.752 1.00 0.00 O ATOM 0 H GLU A 34 -4.754 -19.354 4.925 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.131 -19.157 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.297 -21.619 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.860 -21.001 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.202 -21.234 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.666 -21.796 2.996 1.00 0.00 H new ATOM 529 N ASP A 35 -4.425 -19.110 1.700 1.00 0.00 N ATOM 530 CA ASP A 35 -4.745 -19.100 0.276 1.00 0.00 C ATOM 531 C ASP A 35 -3.897 -18.073 -0.466 1.00 0.00 C ATOM 532 O ASP A 35 -3.419 -17.106 0.125 1.00 0.00 O ATOM 533 CB ASP A 35 -6.230 -18.802 0.068 1.00 0.00 C ATOM 534 CG ASP A 35 -7.123 -19.861 0.684 1.00 0.00 C ATOM 535 OD1 ASP A 35 -7.302 -20.926 0.055 1.00 0.00 O ATOM 536 OD2 ASP A 35 -7.644 -19.627 1.794 1.00 0.00 O ATOM 0 H ASP A 35 -5.117 -18.649 2.291 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.521 -20.087 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.468 -17.832 0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.438 -18.731 -1.000 1.00 0.00 H new ATOM 541 N TRP A 36 -3.717 -18.291 -1.765 1.00 0.00 N ATOM 542 CA TRP A 36 -2.924 -17.386 -2.593 1.00 0.00 C ATOM 543 C TRP A 36 -3.794 -16.284 -3.189 1.00 0.00 C ATOM 544 O TRP A 36 -3.348 -15.147 -3.349 1.00 0.00 O ATOM 545 CB TRP A 36 -2.223 -18.163 -3.711 1.00 0.00 C ATOM 546 CG TRP A 36 -3.156 -18.996 -4.536 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.499 -20.300 -4.320 1.00 0.00 C ATOM 548 CD2 TRP A 36 -3.863 -18.584 -5.712 1.00 0.00 C ATOM 549 NE1 TRP A 36 -4.378 -20.722 -5.289 1.00 0.00 N ATOM 550 CE2 TRP A 36 -4.615 -19.689 -6.153 1.00 0.00 C ATOM 551 CE3 TRP A 36 -3.935 -17.390 -6.435 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -5.427 -19.635 -7.281 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -4.743 -17.339 -7.555 1.00 0.00 C ATOM 554 CH2 TRP A 36 -5.479 -18.456 -7.968 1.00 0.00 C ATOM 0 H TRP A 36 -4.109 -19.087 -2.268 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.171 -16.921 -1.957 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.705 -17.459 -4.362 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.463 -18.810 -3.272 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.133 -20.910 -3.507 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.787 -21.654 -5.353 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.370 -16.524 -6.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.996 -20.495 -7.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.808 -16.422 -8.121 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.101 -18.384 -8.848 1.00 0.00 H new ATOM 565 N ARG A 37 -5.034 -16.627 -3.519 1.00 0.00 N ATOM 566 CA ARG A 37 -5.968 -15.665 -4.095 1.00 0.00 C ATOM 567 C ARG A 37 -6.380 -14.621 -3.062 1.00 0.00 C ATOM 568 O ARG A 37 -6.620 -13.460 -3.398 1.00 0.00 O ATOM 569 CB ARG A 37 -7.205 -16.386 -4.635 1.00 0.00 C ATOM 570 CG ARG A 37 -7.923 -17.224 -3.592 1.00 0.00 C ATOM 571 CD ARG A 37 -9.053 -18.030 -4.210 1.00 0.00 C ATOM 572 NE ARG A 37 -8.559 -18.989 -5.197 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.344 -19.641 -6.050 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.655 -19.441 -6.037 1.00 0.00 N ATOM 575 NH2 ARG A 37 -8.816 -20.495 -6.917 1.00 0.00 N ATOM 0 H ARG A 37 -5.417 -17.565 -3.398 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.467 -15.155 -4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.899 -15.648 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.908 -17.029 -5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.213 -17.898 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.321 -16.574 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.592 -18.561 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.765 -17.354 -4.684 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.556 -19.168 -5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.064 -18.785 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.254 -19.943 -6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.808 -20.652 -6.929 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.418 -20.995 -7.571 1.00 0.00 H new ATOM 589 N ILE A 38 -6.459 -15.042 -1.804 1.00 0.00 N ATOM 590 CA ILE A 38 -6.839 -14.147 -0.718 1.00 0.00 C ATOM 591 C ILE A 38 -5.642 -13.330 -0.243 1.00 0.00 C ATOM 592 O ILE A 38 -5.688 -12.100 -0.215 1.00 0.00 O ATOM 593 CB ILE A 38 -7.426 -14.933 0.474 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.558 -15.855 0.005 1.00 0.00 C ATOM 595 CG2 ILE A 38 -7.922 -13.977 1.548 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.720 -15.123 -0.634 1.00 0.00 C ATOM 0 H ILE A 38 -6.264 -16.000 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.602 -13.473 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.637 -15.551 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.156 -16.573 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.925 -16.426 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.333 -14.547 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.092 -13.365 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.697 -13.333 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.480 -15.843 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.149 -14.425 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.368 -14.574 -1.508 1.00 0.00 H new ATOM 608 N ARG A 39 -4.570 -14.027 0.125 1.00 0.00 N ATOM 609 CA ARG A 39 -3.353 -13.378 0.602 1.00 0.00 C ATOM 610 C ARG A 39 -2.811 -12.398 -0.436 1.00 0.00 C ATOM 611 O ARG A 39 -2.354 -11.306 -0.095 1.00 0.00 O ATOM 612 CB ARG A 39 -2.289 -14.430 0.922 1.00 0.00 C ATOM 613 CG ARG A 39 -1.030 -13.857 1.551 1.00 0.00 C ATOM 614 CD ARG A 39 -1.222 -13.587 3.034 1.00 0.00 C ATOM 615 NE ARG A 39 -0.038 -12.981 3.636 1.00 0.00 N ATOM 616 CZ ARG A 39 0.653 -13.537 4.628 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.281 -14.709 5.127 1.00 0.00 N ATOM 618 NH2 ARG A 39 1.718 -12.922 5.121 1.00 0.00 N ATOM 0 H ARG A 39 -4.520 -15.046 0.102 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.598 -12.822 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.716 -15.172 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.020 -14.952 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.203 -14.553 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.757 -12.931 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.078 -12.928 3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.452 -14.521 3.546 1.00 0.00 H new ATOM 0 HE ARG A 39 0.277 -12.080 3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.537 -15.187 4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.813 -15.132 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.009 -12.022 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.247 -13.349 5.881 1.00 0.00 H new ATOM 632 N GLY A 40 -2.868 -12.798 -1.702 1.00 0.00 N ATOM 633 CA GLY A 40 -2.373 -11.954 -2.773 1.00 0.00 C ATOM 634 C GLY A 40 -3.156 -10.663 -2.918 1.00 0.00 C ATOM 635 O GLY A 40 -2.591 -9.576 -2.815 1.00 0.00 O ATOM 0 H GLY A 40 -3.249 -13.694 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.325 -11.718 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.415 -12.506 -3.712 1.00 0.00 H new ATOM 639 N ALA A 41 -4.461 -10.789 -3.155 1.00 0.00 N ATOM 640 CA ALA A 41 -5.334 -9.630 -3.326 1.00 0.00 C ATOM 641 C ALA A 41 -5.089 -8.568 -2.257 1.00 0.00 C ATOM 642 O ALA A 41 -5.324 -7.382 -2.487 1.00 0.00 O ATOM 643 CB ALA A 41 -6.792 -10.067 -3.310 1.00 0.00 C ATOM 0 H ALA A 41 -4.938 -11.687 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.101 -9.181 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.434 -9.196 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.970 -10.771 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.018 -10.547 -2.358 1.00 0.00 H new ATOM 649 N ALA A 42 -4.619 -8.996 -1.089 1.00 0.00 N ATOM 650 CA ALA A 42 -4.347 -8.072 0.006 1.00 0.00 C ATOM 651 C ALA A 42 -3.201 -7.126 -0.342 1.00 0.00 C ATOM 652 O ALA A 42 -3.362 -5.906 -0.323 1.00 0.00 O ATOM 653 CB ALA A 42 -4.033 -8.841 1.281 1.00 0.00 C ATOM 0 H ALA A 42 -4.419 -9.974 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.241 -7.470 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.832 -8.138 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.885 -9.467 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.157 -9.469 1.120 1.00 0.00 H new ATOM 659 N ALA A 43 -2.046 -7.692 -0.675 1.00 0.00 N ATOM 660 CA ALA A 43 -0.880 -6.893 -1.027 1.00 0.00 C ATOM 661 C ALA A 43 -1.112 -6.130 -2.330 1.00 0.00 C ATOM 662 O ALA A 43 -0.687 -4.985 -2.477 1.00 0.00 O ATOM 663 CB ALA A 43 0.347 -7.777 -1.160 1.00 0.00 C ATOM 0 H ALA A 43 -1.893 -8.700 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.715 -6.171 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.210 -7.165 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.536 -8.282 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.178 -8.520 -1.940 1.00 0.00 H new ATOM 669 N TRP A 44 -1.805 -6.777 -3.266 1.00 0.00 N ATOM 670 CA TRP A 44 -2.090 -6.182 -4.569 1.00 0.00 C ATOM 671 C TRP A 44 -2.804 -4.838 -4.433 1.00 0.00 C ATOM 672 O TRP A 44 -2.599 -3.934 -5.243 1.00 0.00 O ATOM 673 CB TRP A 44 -2.931 -7.144 -5.413 1.00 0.00 C ATOM 674 CG TRP A 44 -2.093 -8.133 -6.162 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.404 -9.186 -5.636 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.846 -8.157 -7.573 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.738 -9.860 -6.630 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.995 -9.249 -7.830 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.261 -7.362 -8.645 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.551 -9.565 -9.111 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.820 -7.676 -9.918 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.974 -8.769 -10.141 1.00 0.00 C ATOM 0 H TRP A 44 -2.181 -7.718 -3.144 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.138 -6.001 -5.068 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.626 -7.678 -4.765 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.531 -6.572 -6.120 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.385 -9.451 -4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.148 -10.681 -6.497 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.914 -6.518 -8.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.103 -10.407 -9.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.134 -7.068 -10.754 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.648 -8.989 -11.147 1.00 0.00 H new ATOM 693 N ILE A 45 -3.634 -4.714 -3.405 1.00 0.00 N ATOM 694 CA ILE A 45 -4.377 -3.483 -3.161 1.00 0.00 C ATOM 695 C ILE A 45 -3.686 -2.633 -2.098 1.00 0.00 C ATOM 696 O ILE A 45 -3.911 -1.427 -2.001 1.00 0.00 O ATOM 697 CB ILE A 45 -5.826 -3.785 -2.719 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.505 -4.721 -3.726 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.620 -2.495 -2.563 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.632 -4.135 -5.118 1.00 0.00 C ATOM 0 H ILE A 45 -3.810 -5.453 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.405 -2.928 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.796 -4.283 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.938 -5.650 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.499 -4.976 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.638 -2.730 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.146 -1.865 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.645 -1.966 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.122 -4.856 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.225 -3.222 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.640 -3.906 -5.508 1.00 0.00 H new ATOM 712 N ILE A 46 -2.842 -3.279 -1.302 1.00 0.00 N ATOM 713 CA ILE A 46 -2.110 -2.604 -0.236 1.00 0.00 C ATOM 714 C ILE A 46 -1.202 -1.502 -0.782 1.00 0.00 C ATOM 715 O ILE A 46 -1.108 -0.420 -0.202 1.00 0.00 O ATOM 716 CB ILE A 46 -1.287 -3.621 0.591 1.00 0.00 C ATOM 717 CG1 ILE A 46 -1.801 -3.666 2.026 1.00 0.00 C ATOM 718 CG2 ILE A 46 0.202 -3.295 0.568 1.00 0.00 C ATOM 719 CD1 ILE A 46 -1.735 -5.042 2.646 1.00 0.00 C ATOM 0 H ILE A 46 -2.646 -4.277 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.845 -2.134 0.417 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.413 -4.603 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.219 -2.974 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.833 -3.317 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.745 -4.032 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.564 -3.318 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.364 -2.302 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.116 -5.000 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.340 -5.734 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.701 -5.386 2.659 1.00 0.00 H new ATOM 731 N GLY A 47 -0.535 -1.786 -1.899 1.00 0.00 N ATOM 732 CA GLY A 47 0.362 -0.811 -2.494 1.00 0.00 C ATOM 733 C GLY A 47 -0.342 0.476 -2.875 1.00 0.00 C ATOM 734 O GLY A 47 0.304 1.498 -3.112 1.00 0.00 O ATOM 0 H GLY A 47 -0.600 -2.672 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.165 -0.587 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.825 -1.243 -3.381 1.00 0.00 H new ATOM 738 N ASN A 48 -1.669 0.429 -2.935 1.00 0.00 N ATOM 739 CA ASN A 48 -2.459 1.598 -3.297 1.00 0.00 C ATOM 740 C ASN A 48 -2.436 2.647 -2.186 1.00 0.00 C ATOM 741 O ASN A 48 -2.292 3.839 -2.456 1.00 0.00 O ATOM 742 CB ASN A 48 -3.901 1.192 -3.603 1.00 0.00 C ATOM 743 CG ASN A 48 -3.985 0.062 -4.612 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.929 -0.728 -4.599 1.00 0.00 O ATOM 745 ND2 ASN A 48 -2.994 -0.023 -5.495 1.00 0.00 N ATOM 0 H ASN A 48 -2.219 -0.407 -2.737 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.015 2.038 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.393 0.887 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.445 2.056 -3.984 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.998 -0.764 -6.196 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.230 0.653 -5.471 1.00 0.00 H new ATOM 752 N PHE A 49 -2.579 2.201 -0.940 1.00 0.00 N ATOM 753 CA PHE A 49 -2.573 3.111 0.196 1.00 0.00 C ATOM 754 C PHE A 49 -1.168 3.246 0.768 1.00 0.00 C ATOM 755 O PHE A 49 -0.666 2.336 1.425 1.00 0.00 O ATOM 756 CB PHE A 49 -3.531 2.613 1.282 1.00 0.00 C ATOM 757 CG PHE A 49 -4.865 2.166 0.751 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.628 3.003 -0.047 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.355 0.905 1.052 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.853 2.591 -0.535 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.580 0.488 0.568 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.330 1.331 -0.227 1.00 0.00 C ATOM 0 H PHE A 49 -2.700 1.218 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.906 4.090 -0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.065 1.783 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.688 3.410 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.261 3.989 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.772 0.240 1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.437 3.253 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.950 -0.497 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.287 1.007 -0.607 1.00 0.00 H new ATOM 772 N GLN A 50 -0.534 4.386 0.504 1.00 0.00 N ATOM 773 CA GLN A 50 0.814 4.640 0.996 1.00 0.00 C ATOM 774 C GLN A 50 0.797 4.881 2.500 1.00 0.00 C ATOM 775 O GLN A 50 0.932 6.013 2.963 1.00 0.00 O ATOM 776 CB GLN A 50 1.431 5.841 0.278 1.00 0.00 C ATOM 777 CG GLN A 50 1.535 5.656 -1.226 1.00 0.00 C ATOM 778 CD GLN A 50 0.215 5.876 -1.937 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.625 6.654 -1.485 1.00 0.00 O ATOM 780 NE2 GLN A 50 0.026 5.190 -3.057 1.00 0.00 N ATOM 0 H GLN A 50 -0.933 5.146 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 50 1.423 3.760 0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.832 6.727 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.426 6.026 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.276 6.350 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.894 4.649 -1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.750 4.556 -3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.843 5.297 -3.580 1.00 0.00 H new ATOM 789 N ASP A 51 0.617 3.804 3.254 1.00 0.00 N ATOM 790 CA ASP A 51 0.566 3.887 4.707 1.00 0.00 C ATOM 791 C ASP A 51 1.540 2.902 5.350 1.00 0.00 C ATOM 792 O ASP A 51 1.901 1.889 4.750 1.00 0.00 O ATOM 793 CB ASP A 51 -0.860 3.621 5.190 1.00 0.00 C ATOM 794 CG ASP A 51 -1.006 3.786 6.690 1.00 0.00 C ATOM 795 OD1 ASP A 51 -0.793 4.912 7.187 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.340 2.792 7.366 1.00 0.00 O ATOM 0 H ASP A 51 0.504 2.861 2.882 1.00 0.00 H new ATOM 0 HA ASP A 51 0.864 4.892 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.544 4.303 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.152 2.609 4.909 1.00 0.00 H new ATOM 801 N GLU A 52 1.959 3.208 6.575 1.00 0.00 N ATOM 802 CA GLU A 52 2.892 2.357 7.305 1.00 0.00 C ATOM 803 C GLU A 52 2.276 0.996 7.620 1.00 0.00 C ATOM 804 O GLU A 52 2.980 -0.008 7.724 1.00 0.00 O ATOM 805 CB GLU A 52 3.320 3.043 8.603 1.00 0.00 C ATOM 806 CG GLU A 52 2.149 3.506 9.456 1.00 0.00 C ATOM 807 CD GLU A 52 2.591 4.160 10.750 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.834 5.385 10.745 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.694 3.447 11.771 1.00 0.00 O ATOM 0 H GLU A 52 1.666 4.042 7.084 1.00 0.00 H new ATOM 0 HA GLU A 52 3.764 2.196 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.933 2.354 9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.946 3.902 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.545 4.211 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.511 2.652 9.684 1.00 0.00 H new ATOM 816 N ARG A 53 0.957 0.973 7.767 1.00 0.00 N ATOM 817 CA ARG A 53 0.237 -0.257 8.077 1.00 0.00 C ATOM 818 C ARG A 53 0.257 -1.227 6.894 1.00 0.00 C ATOM 819 O ARG A 53 -0.128 -2.388 7.027 1.00 0.00 O ATOM 820 CB ARG A 53 -1.207 0.076 8.469 1.00 0.00 C ATOM 821 CG ARG A 53 -2.001 -1.111 8.983 1.00 0.00 C ATOM 822 CD ARG A 53 -3.349 -0.680 9.541 1.00 0.00 C ATOM 823 NE ARG A 53 -3.211 0.199 10.699 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.229 0.557 11.476 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.454 0.117 11.217 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.024 1.356 12.513 1.00 0.00 N ATOM 0 H ARG A 53 0.361 1.796 7.676 1.00 0.00 H new ATOM 0 HA ARG A 53 0.736 -0.746 8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.194 0.850 9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.720 0.494 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.152 -1.826 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.432 -1.623 9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.915 -0.167 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.923 -1.563 9.823 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.283 0.558 10.924 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.617 -0.498 10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.232 0.394 11.815 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.084 1.697 12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.806 1.630 13.108 1.00 0.00 H new ATOM 840 N ALA A 54 0.710 -0.745 5.737 1.00 0.00 N ATOM 841 CA ALA A 54 0.768 -1.569 4.531 1.00 0.00 C ATOM 842 C ALA A 54 2.201 -1.969 4.212 1.00 0.00 C ATOM 843 O ALA A 54 2.492 -2.462 3.121 1.00 0.00 O ATOM 844 CB ALA A 54 0.157 -0.825 3.354 1.00 0.00 C ATOM 0 H ALA A 54 1.042 0.211 5.610 1.00 0.00 H new ATOM 0 HA ALA A 54 0.193 -2.477 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.207 -1.450 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.884 -0.589 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.710 0.098 3.181 1.00 0.00 H new ATOM 850 N VAL A 55 3.091 -1.758 5.172 1.00 0.00 N ATOM 851 CA VAL A 55 4.501 -2.071 4.993 1.00 0.00 C ATOM 852 C VAL A 55 4.818 -3.525 5.341 1.00 0.00 C ATOM 853 O VAL A 55 5.457 -4.230 4.560 1.00 0.00 O ATOM 854 CB VAL A 55 5.377 -1.140 5.850 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.846 -1.430 5.623 1.00 0.00 C ATOM 856 CG2 VAL A 55 5.065 0.315 5.539 1.00 0.00 C ATOM 0 H VAL A 55 2.859 -1.370 6.086 1.00 0.00 H new ATOM 0 HA VAL A 55 4.725 -1.918 3.937 1.00 0.00 H new ATOM 0 HB VAL A 55 5.152 -1.325 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.448 -0.761 6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.059 -2.464 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.089 -1.274 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.693 0.961 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.263 0.512 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.016 0.516 5.755 1.00 0.00 H new ATOM 866 N GLU A 56 4.371 -3.966 6.513 1.00 0.00 N ATOM 867 CA GLU A 56 4.621 -5.336 6.962 1.00 0.00 C ATOM 868 C GLU A 56 4.135 -6.373 5.940 1.00 0.00 C ATOM 869 O GLU A 56 4.873 -7.301 5.610 1.00 0.00 O ATOM 870 CB GLU A 56 3.960 -5.587 8.319 1.00 0.00 C ATOM 871 CG GLU A 56 4.152 -7.006 8.831 1.00 0.00 C ATOM 872 CD GLU A 56 3.428 -7.257 10.139 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.197 -7.470 10.104 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.089 -7.239 11.198 1.00 0.00 O ATOM 0 H GLU A 56 3.835 -3.398 7.169 1.00 0.00 H new ATOM 0 HA GLU A 56 5.700 -5.449 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.368 -4.887 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.893 -5.379 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.794 -7.711 8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.216 -7.199 8.966 1.00 0.00 H new ATOM 881 N PRO A 57 2.888 -6.244 5.432 1.00 0.00 N ATOM 882 CA PRO A 57 2.336 -7.187 4.450 1.00 0.00 C ATOM 883 C PRO A 57 3.312 -7.518 3.330 1.00 0.00 C ATOM 884 O PRO A 57 3.328 -8.638 2.819 1.00 0.00 O ATOM 885 CB PRO A 57 1.132 -6.440 3.896 1.00 0.00 C ATOM 886 CG PRO A 57 0.672 -5.588 5.026 1.00 0.00 C ATOM 887 CD PRO A 57 1.916 -5.181 5.770 1.00 0.00 C ATOM 0 HA PRO A 57 2.099 -8.149 4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.403 -5.838 3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.351 -7.129 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.132 -4.714 4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.010 -6.136 5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.269 -4.200 5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.740 -5.125 6.844 1.00 0.00 H new ATOM 895 N LEU A 58 4.127 -6.541 2.952 1.00 0.00 N ATOM 896 CA LEU A 58 5.104 -6.736 1.890 1.00 0.00 C ATOM 897 C LEU A 58 6.281 -7.566 2.383 1.00 0.00 C ATOM 898 O LEU A 58 6.775 -8.438 1.676 1.00 0.00 O ATOM 899 CB LEU A 58 5.605 -5.386 1.370 1.00 0.00 C ATOM 900 CG LEU A 58 4.537 -4.298 1.240 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.115 -3.061 0.570 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.334 -4.812 0.466 1.00 0.00 C ATOM 0 H LEU A 58 4.130 -5.608 3.364 1.00 0.00 H new ATOM 0 HA LEU A 58 4.615 -7.272 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.388 -5.026 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.065 -5.539 0.394 1.00 0.00 H new ATOM 0 HG LEU A 58 4.205 -4.025 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.341 -2.298 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.941 -2.676 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.477 -3.322 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.588 -4.021 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.647 -5.118 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.903 -5.666 0.988 1.00 0.00 H new ATOM 914 N ILE A 59 6.717 -7.292 3.605 1.00 0.00 N ATOM 915 CA ILE A 59 7.848 -8.000 4.197 1.00 0.00 C ATOM 916 C ILE A 59 7.649 -9.517 4.186 1.00 0.00 C ATOM 917 O ILE A 59 8.505 -10.258 3.702 1.00 0.00 O ATOM 918 CB ILE A 59 8.089 -7.543 5.650 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.254 -6.021 5.713 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.309 -8.243 6.234 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.461 -5.502 4.958 1.00 0.00 C ATOM 0 H ILE A 59 6.304 -6.582 4.209 1.00 0.00 H new ATOM 0 HA ILE A 59 8.715 -7.757 3.583 1.00 0.00 H new ATOM 0 HB ILE A 59 7.220 -7.817 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.357 -5.551 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.332 -5.717 6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.464 -7.909 7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.149 -9.321 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.188 -8.001 5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.509 -4.417 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.367 -5.942 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.376 -5.773 3.906 1.00 0.00 H new ATOM 933 N LYS A 60 6.519 -9.970 4.718 1.00 0.00 N ATOM 934 CA LYS A 60 6.227 -11.400 4.799 1.00 0.00 C ATOM 935 C LYS A 60 5.949 -12.023 3.431 1.00 0.00 C ATOM 936 O LYS A 60 6.092 -13.233 3.258 1.00 0.00 O ATOM 937 CB LYS A 60 5.027 -11.638 5.719 1.00 0.00 C ATOM 938 CG LYS A 60 5.111 -10.893 7.043 1.00 0.00 C ATOM 939 CD LYS A 60 6.317 -11.329 7.860 1.00 0.00 C ATOM 940 CE LYS A 60 6.425 -10.536 9.152 1.00 0.00 C ATOM 941 NZ LYS A 60 7.646 -10.899 9.925 1.00 0.00 N ATOM 0 H LYS A 60 5.789 -9.369 5.100 1.00 0.00 H new ATOM 0 HA LYS A 60 7.116 -11.882 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.117 -11.336 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.940 -12.706 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.168 -9.821 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.201 -11.067 7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.239 -12.392 8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.225 -11.195 7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.443 -9.470 8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.541 -10.716 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.683 -10.337 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.617 -11.911 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.491 -10.703 9.351 1.00 0.00 H new ATOM 955 N LEU A 61 5.556 -11.202 2.465 1.00 0.00 N ATOM 956 CA LEU A 61 5.219 -11.699 1.131 1.00 0.00 C ATOM 957 C LEU A 61 6.414 -11.751 0.181 1.00 0.00 C ATOM 958 O LEU A 61 6.555 -12.702 -0.589 1.00 0.00 O ATOM 959 CB LEU A 61 4.113 -10.838 0.530 1.00 0.00 C ATOM 960 CG LEU A 61 2.731 -11.483 0.535 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.378 -12.002 1.922 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.680 -10.499 0.055 1.00 0.00 C ATOM 0 H LEU A 61 5.462 -10.192 2.577 1.00 0.00 H new ATOM 0 HA LEU A 61 4.879 -12.727 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.063 -9.898 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.381 -10.592 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 61 2.752 -12.330 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.388 -12.457 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.113 -12.746 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.380 -11.175 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.701 -10.978 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.666 -9.631 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.917 -10.180 -0.960 1.00 0.00 H new ATOM 974 N LEU A 62 7.268 -10.741 0.233 1.00 0.00 N ATOM 975 CA LEU A 62 8.432 -10.684 -0.641 1.00 0.00 C ATOM 976 C LEU A 62 9.355 -11.860 -0.369 1.00 0.00 C ATOM 977 O LEU A 62 10.294 -12.122 -1.117 1.00 0.00 O ATOM 978 CB LEU A 62 9.164 -9.360 -0.446 1.00 0.00 C ATOM 979 CG LEU A 62 8.326 -8.127 -0.780 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.825 -6.911 -0.013 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.347 -7.860 -2.277 1.00 0.00 C ATOM 0 H LEU A 62 7.178 -9.950 0.870 1.00 0.00 H new ATOM 0 HA LEU A 62 8.102 -10.747 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.496 -9.290 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.059 -9.357 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 62 7.297 -8.321 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.214 -6.045 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.756 -7.103 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.863 -6.713 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.745 -6.978 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.373 -7.689 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.937 -8.721 -2.806 1.00 0.00 H new ATOM 993 N GLU A 63 9.070 -12.560 0.717 1.00 0.00 N ATOM 994 CA GLU A 63 9.834 -13.727 1.107 1.00 0.00 C ATOM 995 C GLU A 63 9.225 -14.970 0.499 1.00 0.00 C ATOM 996 O GLU A 63 9.927 -15.879 0.053 1.00 0.00 O ATOM 997 CB GLU A 63 9.781 -13.893 2.611 1.00 0.00 C ATOM 998 CG GLU A 63 11.013 -14.564 3.190 1.00 0.00 C ATOM 999 CD GLU A 63 10.892 -14.829 4.678 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.229 -13.926 5.473 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.461 -15.941 5.050 1.00 0.00 O ATOM 0 H GLU A 63 8.303 -12.333 1.350 1.00 0.00 H new ATOM 0 HA GLU A 63 10.860 -13.593 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.660 -12.913 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.901 -14.480 2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.186 -15.506 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.884 -13.935 3.007 1.00 0.00 H new ATOM 1008 N ASP A 64 7.900 -14.990 0.501 1.00 0.00 N ATOM 1009 CA ASP A 64 7.147 -16.119 -0.006 1.00 0.00 C ATOM 1010 C ASP A 64 7.509 -16.436 -1.442 1.00 0.00 C ATOM 1011 O ASP A 64 8.367 -15.800 -2.049 1.00 0.00 O ATOM 1012 CB ASP A 64 5.644 -15.850 0.102 1.00 0.00 C ATOM 1013 CG ASP A 64 5.137 -15.960 1.526 1.00 0.00 C ATOM 1014 OD1 ASP A 64 5.305 -17.038 2.134 1.00 0.00 O ATOM 1015 OD2 ASP A 64 4.568 -14.970 2.033 1.00 0.00 O ATOM 0 H ASP A 64 7.323 -14.226 0.853 1.00 0.00 H new ATOM 0 HA ASP A 64 7.406 -16.983 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.428 -14.853 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.105 -16.558 -0.528 1.00 0.00 H new ATOM 1020 N ASP A 65 6.852 -17.451 -1.956 1.00 0.00 N ATOM 1021 CA ASP A 65 7.056 -17.894 -3.331 1.00 0.00 C ATOM 1022 C ASP A 65 5.803 -18.581 -3.870 1.00 0.00 C ATOM 1023 O ASP A 65 5.884 -19.461 -4.727 1.00 0.00 O ATOM 1024 CB ASP A 65 8.253 -18.845 -3.406 1.00 0.00 C ATOM 1025 CG ASP A 65 8.681 -19.128 -4.833 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.261 -18.222 -5.470 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.439 -20.255 -5.313 1.00 0.00 O ATOM 0 H ASP A 65 6.161 -17.996 -1.440 1.00 0.00 H new ATOM 0 HA ASP A 65 7.259 -17.018 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.090 -18.414 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.999 -19.784 -2.913 1.00 0.00 H new ATOM 1032 N SER A 66 4.642 -18.165 -3.368 1.00 0.00 N ATOM 1033 CA SER A 66 3.373 -18.745 -3.799 1.00 0.00 C ATOM 1034 C SER A 66 2.873 -18.091 -5.085 1.00 0.00 C ATOM 1035 O SER A 66 1.849 -18.493 -5.638 1.00 0.00 O ATOM 1036 CB SER A 66 2.322 -18.595 -2.698 1.00 0.00 C ATOM 1037 OG SER A 66 2.729 -19.253 -1.511 1.00 0.00 O ATOM 0 H SER A 66 4.554 -17.431 -2.665 1.00 0.00 H new ATOM 0 HA SER A 66 3.540 -19.804 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.155 -17.538 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.372 -19.008 -3.039 1.00 0.00 H new ATOM 0 HG SER A 66 2.041 -19.141 -0.822 1.00 0.00 H new ATOM 1043 N GLY A 67 3.603 -17.084 -5.557 1.00 0.00 N ATOM 1044 CA GLY A 67 3.215 -16.392 -6.774 1.00 0.00 C ATOM 1045 C GLY A 67 2.372 -15.164 -6.496 1.00 0.00 C ATOM 1046 O GLY A 67 2.906 -14.104 -6.174 1.00 0.00 O ATOM 0 H GLY A 67 4.456 -16.735 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.110 -16.099 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.657 -17.075 -7.415 1.00 0.00 H new ATOM 1050 N PHE A 68 1.054 -15.303 -6.626 1.00 0.00 N ATOM 1051 CA PHE A 68 0.138 -14.192 -6.374 1.00 0.00 C ATOM 1052 C PHE A 68 0.474 -13.531 -5.044 1.00 0.00 C ATOM 1053 O PHE A 68 0.313 -12.322 -4.873 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.308 -14.695 -6.348 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.293 -13.774 -7.013 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.436 -12.455 -6.601 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.089 -14.235 -8.050 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.351 -11.620 -7.214 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.003 -13.403 -8.667 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.134 -12.094 -8.248 1.00 0.00 C ATOM 0 H PHE A 68 0.597 -16.172 -6.904 1.00 0.00 H new ATOM 0 HA PHE A 68 0.246 -13.461 -7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.351 -15.669 -6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.610 -14.845 -5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.826 -12.078 -5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.993 -15.259 -8.380 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.454 -10.597 -6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.614 -13.776 -9.476 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.848 -11.441 -8.728 1.00 0.00 H new ATOM 1070 N VAL A 69 0.947 -14.346 -4.109 1.00 0.00 N ATOM 1071 CA VAL A 69 1.323 -13.874 -2.785 1.00 0.00 C ATOM 1072 C VAL A 69 2.624 -13.074 -2.835 1.00 0.00 C ATOM 1073 O VAL A 69 2.665 -11.915 -2.426 1.00 0.00 O ATOM 1074 CB VAL A 69 1.484 -15.060 -1.811 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.837 -14.579 -0.414 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.216 -15.898 -1.784 1.00 0.00 C ATOM 0 H VAL A 69 1.080 -15.348 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 69 0.525 -13.222 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 69 2.306 -15.681 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.944 -15.437 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.776 -14.026 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.045 -13.929 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.345 -16.731 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.621 -15.281 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.014 -16.284 -2.783 1.00 0.00 H new ATOM 1086 N ARG A 70 3.683 -13.696 -3.349 1.00 0.00 N ATOM 1087 CA ARG A 70 4.986 -13.039 -3.442 1.00 0.00 C ATOM 1088 C ARG A 70 4.943 -11.854 -4.402 1.00 0.00 C ATOM 1089 O ARG A 70 5.148 -10.710 -3.998 1.00 0.00 O ATOM 1090 CB ARG A 70 6.052 -14.041 -3.895 1.00 0.00 C ATOM 1091 CG ARG A 70 7.482 -13.580 -3.645 1.00 0.00 C ATOM 1092 CD ARG A 70 7.964 -12.610 -4.710 1.00 0.00 C ATOM 1093 NE ARG A 70 7.903 -13.196 -6.047 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.768 -14.103 -6.495 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.755 -14.526 -5.715 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.647 -14.586 -7.724 1.00 0.00 N ATOM 0 H ARG A 70 3.665 -14.651 -3.707 1.00 0.00 H new ATOM 0 HA ARG A 70 5.243 -12.663 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.890 -14.987 -3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.925 -14.235 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.543 -13.103 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.143 -14.447 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.355 -11.707 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.989 -12.310 -4.491 1.00 0.00 H new ATOM 0 HE ARG A 70 7.156 -12.893 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.852 -14.156 -4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.416 -15.221 -6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.891 -14.262 -8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.310 -15.281 -8.066 1.00 0.00 H new ATOM 1110 N SER A 71 4.682 -12.138 -5.675 1.00 0.00 N ATOM 1111 CA SER A 71 4.616 -11.101 -6.701 1.00 0.00 C ATOM 1112 C SER A 71 3.673 -9.976 -6.291 1.00 0.00 C ATOM 1113 O SER A 71 3.783 -8.852 -6.781 1.00 0.00 O ATOM 1114 CB SER A 71 4.160 -11.697 -8.033 1.00 0.00 C ATOM 1115 OG SER A 71 2.819 -12.151 -7.957 1.00 0.00 O ATOM 0 H SER A 71 4.512 -13.082 -6.022 1.00 0.00 H new ATOM 0 HA SER A 71 5.617 -10.685 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.249 -10.948 -8.820 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.813 -12.526 -8.306 1.00 0.00 H new ATOM 0 HG SER A 71 2.682 -12.626 -7.111 1.00 0.00 H new ATOM 1121 N GLY A 72 2.747 -10.286 -5.392 1.00 0.00 N ATOM 1122 CA GLY A 72 1.800 -9.290 -4.933 1.00 0.00 C ATOM 1123 C GLY A 72 2.469 -8.141 -4.211 1.00 0.00 C ATOM 1124 O GLY A 72 2.132 -6.979 -4.434 1.00 0.00 O ATOM 0 H GLY A 72 2.636 -11.209 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.243 -8.903 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.077 -9.761 -4.267 1.00 0.00 H new ATOM 1128 N ALA A 73 3.419 -8.466 -3.343 1.00 0.00 N ATOM 1129 CA ALA A 73 4.137 -7.454 -2.581 1.00 0.00 C ATOM 1130 C ALA A 73 5.158 -6.726 -3.448 1.00 0.00 C ATOM 1131 O ALA A 73 5.359 -5.523 -3.300 1.00 0.00 O ATOM 1132 CB ALA A 73 4.822 -8.086 -1.381 1.00 0.00 C ATOM 0 H ALA A 73 3.710 -9.424 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 73 3.411 -6.721 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.355 -7.318 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.074 -8.551 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.529 -8.843 -1.722 1.00 0.00 H new ATOM 1138 N ALA A 74 5.794 -7.461 -4.356 1.00 0.00 N ATOM 1139 CA ALA A 74 6.803 -6.884 -5.237 1.00 0.00 C ATOM 1140 C ALA A 74 6.269 -5.659 -5.973 1.00 0.00 C ATOM 1141 O ALA A 74 6.975 -4.662 -6.134 1.00 0.00 O ATOM 1142 CB ALA A 74 7.290 -7.926 -6.232 1.00 0.00 C ATOM 0 H ALA A 74 5.628 -8.457 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 74 7.641 -6.561 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.043 -7.483 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.726 -8.767 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.450 -8.276 -6.833 1.00 0.00 H new ATOM 1148 N ARG A 75 5.019 -5.740 -6.417 1.00 0.00 N ATOM 1149 CA ARG A 75 4.390 -4.642 -7.142 1.00 0.00 C ATOM 1150 C ARG A 75 3.796 -3.610 -6.188 1.00 0.00 C ATOM 1151 O ARG A 75 3.491 -2.488 -6.586 1.00 0.00 O ATOM 1152 CB ARG A 75 3.291 -5.178 -8.060 1.00 0.00 C ATOM 1153 CG ARG A 75 2.153 -5.851 -7.313 1.00 0.00 C ATOM 1154 CD ARG A 75 0.942 -6.049 -8.207 1.00 0.00 C ATOM 1155 NE ARG A 75 1.296 -6.682 -9.474 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.243 -6.062 -10.650 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.857 -4.795 -10.717 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.579 -6.709 -11.757 1.00 0.00 N ATOM 0 H ARG A 75 4.421 -6.556 -6.287 1.00 0.00 H new ATOM 0 HA ARG A 75 5.162 -4.155 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.890 -4.356 -8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.728 -5.891 -8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.487 -6.816 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.875 -5.246 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.205 -6.662 -7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.474 -5.084 -8.402 1.00 0.00 H new ATOM 0 HE ARG A 75 1.601 -7.655 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.600 -4.294 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.817 -4.321 -11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.878 -7.683 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.538 -6.233 -12.658 1.00 0.00 H new ATOM 1172 N SER A 76 3.626 -3.999 -4.931 1.00 0.00 N ATOM 1173 CA SER A 76 3.052 -3.108 -3.928 1.00 0.00 C ATOM 1174 C SER A 76 3.960 -1.915 -3.644 1.00 0.00 C ATOM 1175 O SER A 76 3.492 -0.779 -3.564 1.00 0.00 O ATOM 1176 CB SER A 76 2.782 -3.874 -2.634 1.00 0.00 C ATOM 1177 OG SER A 76 1.871 -4.935 -2.852 1.00 0.00 O ATOM 0 H SER A 76 3.877 -4.924 -4.581 1.00 0.00 H new ATOM 0 HA SER A 76 2.113 -2.726 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.718 -4.269 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.381 -3.194 -1.882 1.00 0.00 H new ATOM 0 HG SER A 76 1.030 -4.745 -2.386 1.00 0.00 H new ATOM 1183 N LEU A 77 5.255 -2.174 -3.484 1.00 0.00 N ATOM 1184 CA LEU A 77 6.213 -1.109 -3.197 1.00 0.00 C ATOM 1185 C LEU A 77 6.161 -0.011 -4.256 1.00 0.00 C ATOM 1186 O LEU A 77 5.902 1.149 -3.937 1.00 0.00 O ATOM 1187 CB LEU A 77 7.629 -1.671 -3.092 1.00 0.00 C ATOM 1188 CG LEU A 77 7.893 -2.530 -1.854 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.659 -3.999 -2.160 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.303 -2.306 -1.339 1.00 0.00 C ATOM 0 H LEU A 77 5.664 -3.106 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 77 5.936 -0.669 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.834 -2.268 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.335 -0.840 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 77 7.193 -2.230 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.852 -4.592 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.626 -4.145 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.331 -4.316 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.471 -2.926 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.021 -2.575 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.431 -1.256 -1.074 1.00 0.00 H new ATOM 1202 N GLU A 78 6.417 -0.374 -5.509 1.00 0.00 N ATOM 1203 CA GLU A 78 6.388 0.596 -6.601 1.00 0.00 C ATOM 1204 C GLU A 78 5.059 1.353 -6.630 1.00 0.00 C ATOM 1205 O GLU A 78 5.008 2.506 -7.060 1.00 0.00 O ATOM 1206 CB GLU A 78 6.643 -0.094 -7.945 1.00 0.00 C ATOM 1207 CG GLU A 78 5.728 -1.276 -8.214 1.00 0.00 C ATOM 1208 CD GLU A 78 4.584 -0.930 -9.148 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.709 -0.135 -8.750 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.564 -1.459 -10.279 1.00 0.00 O ATOM 0 H GLU A 78 6.646 -1.326 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 78 7.185 1.319 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.522 0.636 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.678 -0.434 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.310 -2.090 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.323 -1.639 -7.269 1.00 0.00 H new ATOM 1217 N GLN A 79 3.987 0.705 -6.175 1.00 0.00 N ATOM 1218 CA GLN A 79 2.672 1.343 -6.138 1.00 0.00 C ATOM 1219 C GLN A 79 2.637 2.423 -5.063 1.00 0.00 C ATOM 1220 O GLN A 79 1.944 3.431 -5.199 1.00 0.00 O ATOM 1221 CB GLN A 79 1.569 0.314 -5.869 1.00 0.00 C ATOM 1222 CG GLN A 79 1.179 -0.501 -7.091 1.00 0.00 C ATOM 1223 CD GLN A 79 -0.069 -1.340 -6.876 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.282 -1.803 -5.647 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -0.835 -1.578 -7.811 1.00 0.00 N flip ATOM 0 H GLN A 79 4.003 -0.254 -5.829 1.00 0.00 H new ATOM 0 HA GLN A 79 2.494 1.798 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.901 -0.364 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.687 0.831 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.016 0.173 -7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.007 -1.156 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.638 -1.205 -8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.667 -2.148 -7.657 1.00 0.00 H new ATOM 1234 N ILE A 80 3.393 2.199 -3.992 1.00 0.00 N ATOM 1235 CA ILE A 80 3.457 3.145 -2.885 1.00 0.00 C ATOM 1236 C ILE A 80 4.405 4.301 -3.201 1.00 0.00 C ATOM 1237 O ILE A 80 3.991 5.459 -3.237 1.00 0.00 O ATOM 1238 CB ILE A 80 3.914 2.443 -1.589 1.00 0.00 C ATOM 1239 CG1 ILE A 80 2.900 1.369 -1.189 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.098 3.453 -0.464 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.383 0.455 -0.084 1.00 0.00 C ATOM 0 H ILE A 80 3.971 1.368 -3.868 1.00 0.00 H new ATOM 0 HA ILE A 80 2.453 3.545 -2.740 1.00 0.00 H new ATOM 0 HB ILE A 80 4.876 1.965 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.978 1.854 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.657 0.768 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.420 2.936 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.853 4.185 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.153 3.962 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.611 -0.279 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.288 -0.059 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.599 1.044 0.807 1.00 0.00 H new ATOM 1253 N GLY A 81 5.675 3.976 -3.433 1.00 0.00 N ATOM 1254 CA GLY A 81 6.663 4.995 -3.749 1.00 0.00 C ATOM 1255 C GLY A 81 6.904 5.962 -2.604 1.00 0.00 C ATOM 1256 O GLY A 81 6.018 6.736 -2.241 1.00 0.00 O ATOM 0 H GLY A 81 6.038 3.023 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.604 4.512 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.334 5.553 -4.626 1.00 0.00 H new ATOM 1260 N GLY A 82 8.107 5.921 -2.039 1.00 0.00 N ATOM 1261 CA GLY A 82 8.440 6.809 -0.940 1.00 0.00 C ATOM 1262 C GLY A 82 9.488 6.223 -0.013 1.00 0.00 C ATOM 1263 O GLY A 82 9.752 5.021 -0.045 1.00 0.00 O ATOM 0 H GLY A 82 8.856 5.289 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.803 7.756 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.538 7.029 -0.369 1.00 0.00 H new ATOM 1267 N GLU A 83 10.088 7.075 0.817 1.00 0.00 N ATOM 1268 CA GLU A 83 11.111 6.632 1.759 1.00 0.00 C ATOM 1269 C GLU A 83 10.525 5.663 2.780 1.00 0.00 C ATOM 1270 O GLU A 83 11.236 4.825 3.334 1.00 0.00 O ATOM 1271 CB GLU A 83 11.737 7.833 2.472 1.00 0.00 C ATOM 1272 CG GLU A 83 10.728 8.705 3.203 1.00 0.00 C ATOM 1273 CD GLU A 83 11.377 9.874 3.916 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.571 10.927 3.274 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.692 9.735 5.117 1.00 0.00 O ATOM 0 H GLU A 83 9.883 8.073 0.855 1.00 0.00 H new ATOM 0 HA GLU A 83 11.887 6.113 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.478 7.474 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.268 8.442 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.994 9.081 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.186 8.098 3.928 1.00 0.00 H new ATOM 1282 N ARG A 84 9.225 5.785 3.026 1.00 0.00 N ATOM 1283 CA ARG A 84 8.544 4.917 3.980 1.00 0.00 C ATOM 1284 C ARG A 84 8.532 3.473 3.485 1.00 0.00 C ATOM 1285 O ARG A 84 8.954 2.562 4.199 1.00 0.00 O ATOM 1286 CB ARG A 84 7.113 5.413 4.253 1.00 0.00 C ATOM 1287 CG ARG A 84 6.160 5.331 3.062 1.00 0.00 C ATOM 1288 CD ARG A 84 6.472 6.381 2.005 1.00 0.00 C ATOM 1289 NE ARG A 84 5.425 6.459 0.988 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.998 7.600 0.454 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.514 8.756 0.848 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.053 7.586 -0.474 1.00 0.00 N ATOM 0 H ARG A 84 8.622 6.476 2.579 1.00 0.00 H new ATOM 0 HA ARG A 84 9.096 4.950 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.694 4.831 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.162 6.449 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.223 4.338 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.135 5.460 3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.587 7.354 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.424 6.145 1.529 1.00 0.00 H new ATOM 0 HE ARG A 84 4.998 5.589 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.241 8.773 1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.184 9.629 0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.652 6.700 -0.780 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.726 8.462 -0.883 1.00 0.00 H new ATOM 1306 N VAL A 85 8.049 3.270 2.265 1.00 0.00 N ATOM 1307 CA VAL A 85 7.997 1.942 1.672 1.00 0.00 C ATOM 1308 C VAL A 85 9.397 1.464 1.329 1.00 0.00 C ATOM 1309 O VAL A 85 9.662 0.265 1.243 1.00 0.00 O ATOM 1310 CB VAL A 85 7.133 1.935 0.402 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.771 2.777 -0.691 1.00 0.00 C ATOM 1312 CG2 VAL A 85 6.889 0.512 -0.078 1.00 0.00 C ATOM 0 H VAL A 85 7.687 4.012 1.666 1.00 0.00 H new ATOM 0 HA VAL A 85 7.549 1.269 2.403 1.00 0.00 H new ATOM 0 HB VAL A 85 6.167 2.378 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.141 2.757 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.876 3.805 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.754 2.374 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.275 0.532 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.843 0.034 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.374 -0.051 0.700 1.00 0.00 H new ATOM 1322 N ARG A 86 10.284 2.429 1.128 1.00 0.00 N ATOM 1323 CA ARG A 86 11.675 2.145 0.797 1.00 0.00 C ATOM 1324 C ARG A 86 12.308 1.245 1.853 1.00 0.00 C ATOM 1325 O ARG A 86 13.315 0.584 1.599 1.00 0.00 O ATOM 1326 CB ARG A 86 12.466 3.448 0.677 1.00 0.00 C ATOM 1327 CG ARG A 86 13.843 3.267 0.062 1.00 0.00 C ATOM 1328 CD ARG A 86 14.680 4.529 0.182 1.00 0.00 C ATOM 1329 NE ARG A 86 14.967 4.863 1.575 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.101 5.427 1.980 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.051 5.719 1.101 1.00 0.00 N ATOM 1332 NH2 ARG A 86 16.286 5.697 3.265 1.00 0.00 N ATOM 0 H ARG A 86 10.063 3.423 1.189 1.00 0.00 H new ATOM 0 HA ARG A 86 11.700 1.625 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.897 4.155 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.574 3.890 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.356 2.441 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 86 13.740 2.997 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.617 4.396 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.154 5.359 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 86 14.257 4.652 2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.912 5.511 0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.920 6.152 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.558 5.472 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.156 6.130 3.575 1.00 0.00 H new ATOM 1346 N ALA A 87 11.710 1.227 3.039 1.00 0.00 N ATOM 1347 CA ALA A 87 12.206 0.406 4.132 1.00 0.00 C ATOM 1348 C ALA A 87 11.881 -1.060 3.883 1.00 0.00 C ATOM 1349 O ALA A 87 12.649 -1.949 4.251 1.00 0.00 O ATOM 1350 CB ALA A 87 11.609 0.865 5.452 1.00 0.00 C ATOM 0 H ALA A 87 10.879 1.774 3.266 1.00 0.00 H new ATOM 0 HA ALA A 87 13.289 0.516 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.990 0.241 6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.885 1.904 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.523 0.780 5.409 1.00 0.00 H new ATOM 1356 N ALA A 88 10.734 -1.303 3.254 1.00 0.00 N ATOM 1357 CA ALA A 88 10.302 -2.659 2.942 1.00 0.00 C ATOM 1358 C ALA A 88 11.314 -3.357 2.042 1.00 0.00 C ATOM 1359 O ALA A 88 11.716 -4.490 2.309 1.00 0.00 O ATOM 1360 CB ALA A 88 8.929 -2.640 2.287 1.00 0.00 C ATOM 0 H ALA A 88 10.087 -0.575 2.950 1.00 0.00 H new ATOM 0 HA ALA A 88 10.235 -3.219 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.620 -3.660 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.208 -2.185 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.974 -2.061 1.365 1.00 0.00 H new ATOM 1366 N MET A 89 11.724 -2.676 0.975 1.00 0.00 N ATOM 1367 CA MET A 89 12.695 -3.240 0.045 1.00 0.00 C ATOM 1368 C MET A 89 14.068 -3.317 0.695 1.00 0.00 C ATOM 1369 O MET A 89 14.859 -4.206 0.391 1.00 0.00 O ATOM 1370 CB MET A 89 12.767 -2.413 -1.245 1.00 0.00 C ATOM 1371 CG MET A 89 13.457 -1.067 -1.093 1.00 0.00 C ATOM 1372 SD MET A 89 15.257 -1.195 -1.108 1.00 0.00 S ATOM 1373 CE MET A 89 15.721 0.469 -0.638 1.00 0.00 C ATOM 0 H MET A 89 11.401 -1.739 0.735 1.00 0.00 H new ATOM 0 HA MET A 89 12.369 -4.247 -0.213 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.292 -2.993 -2.004 1.00 0.00 H new ATOM 0 HB3 MET A 89 11.754 -2.248 -1.613 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.138 -0.408 -1.900 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.138 -0.604 -0.159 1.00 0.00 H new ATOM 0 HE1 MET A 89 16.777 0.628 -0.858 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.122 1.186 -1.199 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.548 0.607 0.429 1.00 0.00 H new ATOM 1383 N GLU A 90 14.346 -2.371 1.584 1.00 0.00 N ATOM 1384 CA GLU A 90 15.624 -2.332 2.280 1.00 0.00 C ATOM 1385 C GLU A 90 15.789 -3.575 3.145 1.00 0.00 C ATOM 1386 O GLU A 90 16.888 -4.115 3.277 1.00 0.00 O ATOM 1387 CB GLU A 90 15.721 -1.069 3.141 1.00 0.00 C ATOM 1388 CG GLU A 90 17.145 -0.586 3.368 1.00 0.00 C ATOM 1389 CD GLU A 90 17.965 -1.546 4.209 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.765 -1.573 5.441 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.806 -2.268 3.635 1.00 0.00 O ATOM 0 H GLU A 90 13.703 -1.621 1.839 1.00 0.00 H new ATOM 0 HA GLU A 90 16.425 -2.311 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.149 -0.272 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 90 15.255 -1.263 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.634 -0.446 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.120 0.388 3.857 1.00 0.00 H new ATOM 1398 N LYS A 91 14.684 -4.026 3.731 1.00 0.00 N ATOM 1399 CA LYS A 91 14.698 -5.212 4.583 1.00 0.00 C ATOM 1400 C LYS A 91 14.684 -6.486 3.750 1.00 0.00 C ATOM 1401 O LYS A 91 15.191 -7.522 4.178 1.00 0.00 O ATOM 1402 CB LYS A 91 13.506 -5.195 5.541 1.00 0.00 C ATOM 1403 CG LYS A 91 13.504 -4.001 6.482 1.00 0.00 C ATOM 1404 CD LYS A 91 14.734 -3.994 7.377 1.00 0.00 C ATOM 1405 CE LYS A 91 14.851 -2.692 8.152 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.981 -1.518 7.247 1.00 0.00 N ATOM 0 H LYS A 91 13.768 -3.589 3.632 1.00 0.00 H new ATOM 0 HA LYS A 91 15.619 -5.196 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.583 -5.192 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.510 -6.112 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.470 -3.079 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.605 -4.023 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.683 -4.830 8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.628 -4.139 6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.973 -2.567 8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.717 -2.739 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.757 -0.909 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.185 -1.845 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.092 -0.978 7.249 1.00 0.00 H new ATOM 1420 N LEU A 92 14.104 -6.407 2.558 1.00 0.00 N ATOM 1421 CA LEU A 92 14.042 -7.551 1.674 1.00 0.00 C ATOM 1422 C LEU A 92 15.355 -7.675 0.912 1.00 0.00 C ATOM 1423 O LEU A 92 15.726 -8.753 0.466 1.00 0.00 O ATOM 1424 CB LEU A 92 12.847 -7.411 0.722 1.00 0.00 C ATOM 1425 CG LEU A 92 13.069 -7.921 -0.698 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.120 -9.444 -0.724 1.00 0.00 C ATOM 1427 CD2 LEU A 92 11.975 -7.408 -1.621 1.00 0.00 C ATOM 0 H LEU A 92 13.672 -5.561 2.187 1.00 0.00 H new ATOM 0 HA LEU A 92 13.899 -8.462 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.999 -7.945 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.568 -6.359 0.671 1.00 0.00 H new ATOM 0 HG LEU A 92 14.028 -7.543 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.279 -9.785 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.939 -9.791 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.179 -9.846 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.147 -7.780 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.006 -7.757 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.987 -6.318 -1.629 1.00 0.00 H new ATOM 1439 N ALA A 93 16.062 -6.558 0.780 1.00 0.00 N ATOM 1440 CA ALA A 93 17.343 -6.542 0.083 1.00 0.00 C ATOM 1441 C ALA A 93 18.424 -7.218 0.923 1.00 0.00 C ATOM 1442 O ALA A 93 19.513 -7.512 0.431 1.00 0.00 O ATOM 1443 CB ALA A 93 17.747 -5.112 -0.243 1.00 0.00 C ATOM 0 H ALA A 93 15.770 -5.652 1.146 1.00 0.00 H new ATOM 0 HA ALA A 93 17.234 -7.098 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 93 18.705 -5.114 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.989 -4.656 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 93 17.837 -4.540 0.680 1.00 0.00 H new ATOM 1449 N GLU A 94 18.113 -7.460 2.195 1.00 0.00 N ATOM 1450 CA GLU A 94 19.054 -8.103 3.109 1.00 0.00 C ATOM 1451 C GLU A 94 18.795 -9.604 3.190 1.00 0.00 C ATOM 1452 O GLU A 94 19.632 -10.363 3.680 1.00 0.00 O ATOM 1453 CB GLU A 94 18.956 -7.480 4.503 1.00 0.00 C ATOM 1454 CG GLU A 94 19.343 -6.011 4.539 1.00 0.00 C ATOM 1455 CD GLU A 94 19.278 -5.424 5.935 1.00 0.00 C ATOM 1456 OE1 GLU A 94 18.185 -4.979 6.342 1.00 0.00 O ATOM 1457 OE2 GLU A 94 20.321 -5.413 6.622 1.00 0.00 O ATOM 0 H GLU A 94 17.216 -7.220 2.616 1.00 0.00 H new ATOM 0 HA GLU A 94 20.060 -7.946 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.935 -7.588 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.600 -8.034 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.354 -5.896 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.680 -5.448 3.881 1.00 0.00 H new ATOM 1464 N THR A 95 17.633 -10.024 2.705 1.00 0.00 N ATOM 1465 CA THR A 95 17.258 -11.430 2.707 1.00 0.00 C ATOM 1466 C THR A 95 16.667 -11.790 1.359 1.00 0.00 C ATOM 1467 O THR A 95 16.004 -12.816 1.198 1.00 0.00 O ATOM 1468 CB THR A 95 16.233 -11.746 3.812 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.066 -10.931 3.648 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.830 -11.509 5.191 1.00 0.00 C ATOM 0 H THR A 95 16.930 -9.404 2.303 1.00 0.00 H new ATOM 0 HA THR A 95 18.155 -12.018 2.902 1.00 0.00 H new ATOM 0 HB THR A 95 15.958 -12.797 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.419 -11.140 4.354 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.086 -11.739 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.700 -12.152 5.326 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.132 -10.466 5.282 1.00 0.00 H new ATOM 1478 N GLY A 96 16.929 -10.924 0.389 1.00 0.00 N ATOM 1479 CA GLY A 96 16.419 -11.110 -0.948 1.00 0.00 C ATOM 1480 C GLY A 96 16.911 -12.376 -1.601 1.00 0.00 C ATOM 1481 O GLY A 96 18.025 -12.835 -1.349 1.00 0.00 O ATOM 0 H GLY A 96 17.495 -10.084 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.330 -11.126 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.707 -10.257 -1.562 1.00 0.00 H new ATOM 1485 N THR A 97 16.062 -12.929 -2.444 1.00 0.00 N ATOM 1486 CA THR A 97 16.379 -14.150 -3.171 1.00 0.00 C ATOM 1487 C THR A 97 15.643 -14.198 -4.506 1.00 0.00 C ATOM 1488 O THR A 97 14.431 -13.981 -4.568 1.00 0.00 O ATOM 1489 CB THR A 97 16.023 -15.401 -2.346 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.228 -16.582 -3.132 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.580 -15.346 -1.870 1.00 0.00 C ATOM 0 H THR A 97 15.137 -12.550 -2.646 1.00 0.00 H new ATOM 0 HA THR A 97 17.453 -14.144 -3.355 1.00 0.00 H new ATOM 0 HB THR A 97 16.674 -15.429 -1.472 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.001 -17.373 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.354 -16.241 -1.290 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.436 -14.463 -1.247 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.914 -15.294 -2.732 1.00 0.00 H new ATOM 1499 N GLY A 98 16.384 -14.481 -5.574 1.00 0.00 N ATOM 1500 CA GLY A 98 15.790 -14.558 -6.897 1.00 0.00 C ATOM 1501 C GLY A 98 15.094 -13.273 -7.310 1.00 0.00 C ATOM 1502 O GLY A 98 15.664 -12.187 -7.215 1.00 0.00 O ATOM 0 H GLY A 98 17.388 -14.659 -5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.566 -14.794 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.072 -15.377 -6.920 1.00 0.00 H new ATOM 1506 N PHE A 99 13.854 -13.406 -7.774 1.00 0.00 N ATOM 1507 CA PHE A 99 13.062 -12.261 -8.216 1.00 0.00 C ATOM 1508 C PHE A 99 12.850 -11.260 -7.083 1.00 0.00 C ATOM 1509 O PHE A 99 13.043 -10.057 -7.264 1.00 0.00 O ATOM 1510 CB PHE A 99 11.714 -12.748 -8.756 1.00 0.00 C ATOM 1511 CG PHE A 99 10.731 -11.650 -9.064 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.860 -10.881 -10.210 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.672 -11.395 -8.207 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.950 -9.880 -10.495 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.760 -10.395 -8.486 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.898 -9.637 -9.632 1.00 0.00 C ATOM 0 H PHE A 99 13.373 -14.302 -7.854 1.00 0.00 H new ATOM 0 HA PHE A 99 13.608 -11.750 -9.009 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.888 -13.327 -9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.268 -13.424 -8.027 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.680 -11.066 -10.888 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.558 -11.985 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.061 -9.288 -11.392 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.940 -10.207 -7.809 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.186 -8.856 -9.853 1.00 0.00 H new ATOM 1526 N ALA A 100 12.456 -11.763 -5.916 1.00 0.00 N ATOM 1527 CA ALA A 100 12.212 -10.916 -4.750 1.00 0.00 C ATOM 1528 C ALA A 100 13.383 -9.972 -4.489 1.00 0.00 C ATOM 1529 O ALA A 100 13.190 -8.800 -4.168 1.00 0.00 O ATOM 1530 CB ALA A 100 11.951 -11.779 -3.527 1.00 0.00 C ATOM 0 H ALA A 100 12.298 -12.757 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 100 11.333 -10.306 -4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.770 -11.140 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.077 -12.406 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.818 -12.411 -3.336 1.00 0.00 H new ATOM 1536 N ARG A 101 14.597 -10.491 -4.629 1.00 0.00 N ATOM 1537 CA ARG A 101 15.805 -9.703 -4.404 1.00 0.00 C ATOM 1538 C ARG A 101 15.890 -8.526 -5.372 1.00 0.00 C ATOM 1539 O ARG A 101 15.903 -7.366 -4.958 1.00 0.00 O ATOM 1540 CB ARG A 101 17.033 -10.592 -4.577 1.00 0.00 C ATOM 1541 CG ARG A 101 18.359 -9.852 -4.472 1.00 0.00 C ATOM 1542 CD ARG A 101 18.630 -9.386 -3.051 1.00 0.00 C ATOM 1543 NE ARG A 101 19.978 -8.846 -2.902 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.748 -9.064 -1.839 1.00 0.00 C ATOM 1545 NH1 ARG A 101 20.304 -9.810 -0.837 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.963 -8.538 -1.779 1.00 0.00 N ATOM 0 H ARG A 101 14.772 -11.459 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 101 15.768 -9.308 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.008 -11.378 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.979 -11.082 -5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.167 -10.505 -4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.350 -8.992 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.901 -8.624 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.496 -10.221 -2.363 1.00 0.00 H new ATOM 0 HE ARG A 101 20.351 -8.269 -3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.370 -10.218 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.896 -9.976 -0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.309 -7.965 -2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.552 -8.706 -0.963 1.00 0.00 H new ATOM 1560 N LYS A 102 15.952 -8.840 -6.664 1.00 0.00 N ATOM 1561 CA LYS A 102 16.046 -7.822 -7.706 1.00 0.00 C ATOM 1562 C LYS A 102 14.931 -6.791 -7.569 1.00 0.00 C ATOM 1563 O LYS A 102 15.088 -5.637 -7.961 1.00 0.00 O ATOM 1564 CB LYS A 102 15.987 -8.478 -9.088 1.00 0.00 C ATOM 1565 CG LYS A 102 16.035 -7.488 -10.241 1.00 0.00 C ATOM 1566 CD LYS A 102 15.981 -8.195 -11.587 1.00 0.00 C ATOM 1567 CE LYS A 102 17.285 -8.915 -11.896 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.211 -9.676 -13.174 1.00 0.00 N ATOM 0 H LYS A 102 15.939 -9.798 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 102 17.000 -7.308 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.820 -9.175 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.071 -9.064 -9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.199 -6.793 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.948 -6.897 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.160 -8.912 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.772 -7.468 -12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.096 -8.189 -11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.525 -9.598 -11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.119 -10.152 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.454 -10.387 -13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.008 -9.022 -13.956 1.00 0.00 H new ATOM 1582 N VAL A 103 13.812 -7.216 -7.002 1.00 0.00 N ATOM 1583 CA VAL A 103 12.661 -6.341 -6.813 1.00 0.00 C ATOM 1584 C VAL A 103 12.971 -5.187 -5.861 1.00 0.00 C ATOM 1585 O VAL A 103 12.637 -4.036 -6.141 1.00 0.00 O ATOM 1586 CB VAL A 103 11.455 -7.141 -6.278 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.418 -6.220 -5.647 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.829 -7.957 -7.395 1.00 0.00 C ATOM 0 H VAL A 103 13.675 -8.168 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 103 12.417 -5.920 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 103 11.815 -7.819 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.580 -6.813 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.870 -5.677 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.060 -5.510 -6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.979 -8.517 -7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.490 -7.290 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.567 -8.651 -7.796 1.00 0.00 H new ATOM 1598 N ALA A 104 13.611 -5.498 -4.739 1.00 0.00 N ATOM 1599 CA ALA A 104 13.943 -4.491 -3.739 1.00 0.00 C ATOM 1600 C ALA A 104 14.895 -3.424 -4.271 1.00 0.00 C ATOM 1601 O ALA A 104 14.577 -2.236 -4.274 1.00 0.00 O ATOM 1602 CB ALA A 104 14.551 -5.159 -2.516 1.00 0.00 C ATOM 0 H ALA A 104 13.911 -6.443 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 104 13.014 -3.988 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.797 -4.401 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.835 -5.864 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.457 -5.691 -2.805 1.00 0.00 H new ATOM 1608 N VAL A 105 16.063 -3.862 -4.719 1.00 0.00 N ATOM 1609 CA VAL A 105 17.094 -2.956 -5.219 1.00 0.00 C ATOM 1610 C VAL A 105 16.667 -2.207 -6.481 1.00 0.00 C ATOM 1611 O VAL A 105 16.752 -0.983 -6.535 1.00 0.00 O ATOM 1612 CB VAL A 105 18.413 -3.709 -5.493 1.00 0.00 C ATOM 1613 CG1 VAL A 105 18.202 -4.839 -6.488 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.490 -2.750 -5.980 1.00 0.00 C ATOM 0 H VAL A 105 16.324 -4.848 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 105 17.250 -2.219 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 105 18.750 -4.150 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 105 19.148 -5.352 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 105 17.475 -5.545 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.832 -4.431 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.411 -3.302 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.161 -2.271 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 105 19.671 -1.990 -5.220 1.00 0.00 H new ATOM 1624 N ASN A 106 16.219 -2.936 -7.495 1.00 0.00 N ATOM 1625 CA ASN A 106 15.805 -2.317 -8.751 1.00 0.00 C ATOM 1626 C ASN A 106 14.729 -1.258 -8.528 1.00 0.00 C ATOM 1627 O ASN A 106 14.666 -0.265 -9.253 1.00 0.00 O ATOM 1628 CB ASN A 106 15.296 -3.375 -9.729 1.00 0.00 C ATOM 1629 CG ASN A 106 14.924 -2.787 -11.076 1.00 0.00 C ATOM 1630 OD1 ASN A 106 13.783 -2.382 -11.296 1.00 0.00 O ATOM 1631 ND2 ASN A 106 15.890 -2.737 -11.986 1.00 0.00 N ATOM 0 H ASN A 106 16.133 -3.952 -7.475 1.00 0.00 H new ATOM 0 HA ASN A 106 16.681 -1.827 -9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.063 -4.137 -9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.426 -3.873 -9.301 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.700 -2.351 -12.911 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.822 -3.084 -11.760 1.00 0.00 H new ATOM 1638 N TYR A 107 13.884 -1.474 -7.525 1.00 0.00 N ATOM 1639 CA TYR A 107 12.810 -0.545 -7.222 1.00 0.00 C ATOM 1640 C TYR A 107 13.361 0.837 -6.876 1.00 0.00 C ATOM 1641 O TYR A 107 12.705 1.851 -7.108 1.00 0.00 O ATOM 1642 CB TYR A 107 11.965 -1.096 -6.074 1.00 0.00 C ATOM 1643 CG TYR A 107 11.178 -0.041 -5.343 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.182 0.688 -5.980 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.449 0.235 -4.019 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.478 1.664 -5.306 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.754 1.210 -3.335 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.767 1.922 -3.983 1.00 0.00 C ATOM 1649 OH TYR A 107 9.073 2.899 -3.311 1.00 0.00 O ATOM 0 H TYR A 107 13.925 -2.286 -6.910 1.00 0.00 H new ATOM 0 HA TYR A 107 12.181 -0.435 -8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.276 -1.843 -6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.618 -1.606 -5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.956 0.488 -7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.220 -0.323 -3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.705 2.223 -5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.981 1.414 -2.299 1.00 0.00 H new ATOM 0 HH TYR A 107 9.704 3.496 -2.858 1.00 0.00 H new ATOM 1659 N LEU A 108 14.570 0.863 -6.323 1.00 0.00 N ATOM 1660 CA LEU A 108 15.218 2.114 -5.937 1.00 0.00 C ATOM 1661 C LEU A 108 15.224 3.122 -7.083 1.00 0.00 C ATOM 1662 O LEU A 108 15.338 4.326 -6.858 1.00 0.00 O ATOM 1663 CB LEU A 108 16.651 1.845 -5.476 1.00 0.00 C ATOM 1664 CG LEU A 108 16.802 1.496 -3.995 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.191 0.942 -3.717 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.532 2.719 -3.132 1.00 0.00 C ATOM 0 H LEU A 108 15.124 0.028 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 108 14.645 2.542 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.059 1.027 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.256 2.726 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 108 16.070 0.728 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.281 0.699 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.349 0.042 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.940 1.688 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.643 2.454 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.242 3.507 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.517 3.074 -3.311 1.00 0.00 H new ATOM 1678 N GLU A 109 15.101 2.625 -8.309 1.00 0.00 N ATOM 1679 CA GLU A 109 15.090 3.491 -9.486 1.00 0.00 C ATOM 1680 C GLU A 109 13.797 4.303 -9.565 1.00 0.00 C ATOM 1681 O GLU A 109 13.578 5.041 -10.526 1.00 0.00 O ATOM 1682 CB GLU A 109 15.267 2.666 -10.762 1.00 0.00 C ATOM 1683 CG GLU A 109 16.704 2.237 -11.018 1.00 0.00 C ATOM 1684 CD GLU A 109 17.247 1.324 -9.935 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.686 1.841 -8.886 1.00 0.00 O ATOM 1686 OE2 GLU A 109 17.236 0.092 -10.138 1.00 0.00 O ATOM 0 H GLU A 109 15.008 1.630 -8.515 1.00 0.00 H new ATOM 0 HA GLU A 109 15.925 4.185 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.638 1.778 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.914 3.249 -11.613 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.760 1.726 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.335 3.123 -11.090 1.00 0.00 H new ATOM 1693 N THR A 110 12.945 4.165 -8.552 1.00 0.00 N ATOM 1694 CA THR A 110 11.680 4.891 -8.511 1.00 0.00 C ATOM 1695 C THR A 110 11.745 6.036 -7.504 1.00 0.00 C ATOM 1696 O THR A 110 11.578 7.201 -7.865 1.00 0.00 O ATOM 1697 CB THR A 110 10.506 3.963 -8.145 1.00 0.00 C ATOM 1698 OG1 THR A 110 10.455 2.856 -9.054 1.00 0.00 O ATOM 1699 CG2 THR A 110 9.184 4.718 -8.186 1.00 0.00 C ATOM 0 H THR A 110 13.108 3.557 -7.749 1.00 0.00 H new ATOM 0 HA THR A 110 11.510 5.293 -9.510 1.00 0.00 H new ATOM 0 HB THR A 110 10.666 3.596 -7.131 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.122 2.187 -8.793 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.370 4.042 -7.924 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.214 5.543 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.020 5.111 -9.189 1.00 0.00 H new ATOM 1707 N HIS A 111 11.986 5.695 -6.241 1.00 0.00 N ATOM 1708 CA HIS A 111 12.081 6.696 -5.183 1.00 0.00 C ATOM 1709 C HIS A 111 13.537 7.080 -4.935 1.00 0.00 C ATOM 1710 O HIS A 111 13.982 8.102 -5.498 1.00 0.00 O ATOM 1711 CB HIS A 111 11.447 6.175 -3.889 1.00 0.00 C ATOM 1712 CG HIS A 111 11.630 7.096 -2.723 1.00 0.00 C ATOM 1713 ND1 HIS A 111 10.953 8.291 -2.590 1.00 0.00 N ATOM 1714 CD2 HIS A 111 12.427 6.996 -1.633 1.00 0.00 C ATOM 1715 CE1 HIS A 111 11.327 8.885 -1.471 1.00 0.00 C ATOM 1716 NE2 HIS A 111 12.219 8.119 -0.872 1.00 0.00 N ATOM 1717 OXT HIS A 111 14.222 6.355 -4.182 1.00 0.00 O ATOM 0 H HIS A 111 12.119 4.734 -5.926 1.00 0.00 H new ATOM 0 HA HIS A 111 11.536 7.583 -5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.381 6.017 -4.054 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.879 5.204 -3.647 1.00 0.00 H new ATOM 0 HD1 HIS A 111 10.270 8.658 -3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.101 6.184 -1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 111 10.965 9.835 -1.108 1.00 0.00 H new TER 1726 HIS A 111