USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 MET CE :methyl -115:sc= -6.64! (180deg=-7.47!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 ASN : amide:sc= -0.554 K(o=-7.1,f=-9.3!) USER MOD Set 1.4: A 77 TYR OH : rot -51:sc= 0.0614 USER MOD Set 2.1: A 37 CYS SG : rot -140:sc= -0.216 USER MOD Set 2.2: A 39 HIS :FLIP no HD1:sc= 0.0582 F(o=-1.1,f=-0.16) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= -0.471 (180deg=-0.801) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -3.51! (180deg=-4.06!) USER MOD Single : A 33 TYR OH : rot -127:sc= 0.693 USER MOD Single : A 40 CYS SG : rot -175:sc= -1.19 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.6) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 48 THR OG1 : rot 66:sc= 1.06 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= -0.0179 (180deg=-0.0991) USER MOD Single : A 54 TYR OH : rot -131:sc= -1.2 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.6) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00256 (180deg=-0.0731) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -154:sc= -3.62! (180deg=-6.22!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.416 K(o=0.42,f=-4.9!) USER MOD Single : A 76 GLN : amide:sc= -0.315 K(o=-0.32,f=-3.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 108:sc= -0.271 USER MOD Single : A 86 TYR OH : rot -153:sc= 0.483 USER MOD Single : A 90 SER OG : rot -150:sc= -2.54! USER MOD Single : A 93 LYS NZ :NH3+ -128:sc= -5.01! (180deg=-6.86!) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -0.109 (180deg=-0.565) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -145:sc= -0.0505 (180deg=-1.4!) USER MOD Single : A 108 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 110 SER OG : rot -88:sc= 0.578 USER MOD Single : A 111 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.005) USER MOD Single : A 116 HIS :FLIP no HD1:sc= -2.81! C(o=-6.2!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.850 4.249 -12.836 1.00 0.00 N ATOM 67 CA PRO A 8 7.878 2.839 -12.438 1.00 0.00 C ATOM 68 C PRO A 8 6.596 2.410 -11.732 1.00 0.00 C ATOM 69 O PRO A 8 5.983 1.406 -12.092 1.00 0.00 O ATOM 70 CB PRO A 8 9.068 2.765 -11.478 1.00 0.00 C ATOM 71 CG PRO A 8 9.204 4.146 -10.936 1.00 0.00 C ATOM 72 CD PRO A 8 8.782 5.069 -12.045 1.00 0.00 C ATOM 0 HA PRO A 8 7.964 2.175 -13.298 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.890 2.043 -10.681 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.975 2.452 -11.995 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.577 4.283 -10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.231 4.346 -10.631 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.299 5.967 -11.659 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.634 5.397 -12.641 1.00 0.00 H new ATOM 80 N VAL A 9 6.197 3.179 -10.723 1.00 0.00 N ATOM 81 CA VAL A 9 4.987 2.880 -9.967 1.00 0.00 C ATOM 82 C VAL A 9 3.750 2.956 -10.855 1.00 0.00 C ATOM 83 O VAL A 9 3.412 4.018 -11.378 1.00 0.00 O ATOM 84 CB VAL A 9 4.813 3.846 -8.780 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.545 3.520 -8.007 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.031 3.795 -7.869 1.00 0.00 C ATOM 0 H VAL A 9 6.694 4.013 -10.411 1.00 0.00 H new ATOM 0 HA VAL A 9 5.096 1.864 -9.587 1.00 0.00 H new ATOM 0 HB VAL A 9 4.721 4.860 -9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.439 4.213 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.683 3.613 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.603 2.500 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.891 4.484 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.157 2.782 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.919 4.083 -8.432 1.00 0.00 H new ATOM 96 N LYS A 10 3.078 1.822 -11.023 1.00 0.00 N ATOM 97 CA LYS A 10 1.877 1.759 -11.847 1.00 0.00 C ATOM 98 C LYS A 10 0.697 2.418 -11.140 1.00 0.00 C ATOM 99 O LYS A 10 0.517 2.262 -9.932 1.00 0.00 O ATOM 100 CB LYS A 10 1.537 0.304 -12.179 1.00 0.00 C ATOM 101 CG LYS A 10 0.089 0.095 -12.586 1.00 0.00 C ATOM 102 CD LYS A 10 -0.057 -1.073 -13.547 1.00 0.00 C ATOM 103 CE LYS A 10 0.037 -0.618 -14.996 1.00 0.00 C ATOM 104 NZ LYS A 10 1.419 -0.194 -15.355 1.00 0.00 N ATOM 0 H LYS A 10 3.345 0.934 -10.599 1.00 0.00 H new ATOM 0 HA LYS A 10 2.073 2.301 -12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.185 -0.037 -12.986 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.755 -0.318 -11.311 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.517 -0.085 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.293 1.002 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.719 -1.811 -13.345 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.015 -1.565 -13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.276 -1.430 -15.653 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.652 0.210 -15.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.527 -0.201 -16.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.592 0.766 -14.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.105 -0.851 -14.931 1.00 0.00 H new ATOM 118 N VAL A 11 -0.107 3.155 -11.901 1.00 0.00 N ATOM 119 CA VAL A 11 -1.271 3.836 -11.347 1.00 0.00 C ATOM 120 C VAL A 11 -2.532 2.996 -11.518 1.00 0.00 C ATOM 121 O VAL A 11 -2.724 2.347 -12.546 1.00 0.00 O ATOM 122 CB VAL A 11 -1.488 5.208 -12.013 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.370 6.167 -11.637 1.00 0.00 C ATOM 124 CG2 VAL A 11 -1.586 5.057 -13.524 1.00 0.00 C ATOM 0 H VAL A 11 0.027 3.295 -12.902 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.076 3.982 -10.285 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.428 5.624 -11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.541 7.131 -12.117 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.352 6.298 -10.555 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.585 5.760 -11.969 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.739 6.036 -13.978 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.664 4.620 -13.907 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.425 4.407 -13.771 1.00 0.00 H new ATOM 134 N VAL A 12 -3.389 3.011 -10.502 1.00 0.00 N ATOM 135 CA VAL A 12 -4.633 2.252 -10.539 1.00 0.00 C ATOM 136 C VAL A 12 -5.830 3.142 -10.225 1.00 0.00 C ATOM 137 O VAL A 12 -5.847 3.843 -9.214 1.00 0.00 O ATOM 138 CB VAL A 12 -4.604 1.079 -9.541 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.935 0.343 -9.544 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.461 0.130 -9.868 1.00 0.00 C ATOM 0 H VAL A 12 -3.244 3.541 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.733 1.857 -11.550 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.439 1.479 -8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.896 -0.482 -8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.731 1.030 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.133 -0.047 -10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.455 -0.693 -9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.593 -0.265 -10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.514 0.667 -9.810 1.00 0.00 H new ATOM 150 N VAL A 13 -6.830 3.109 -11.100 1.00 0.00 N ATOM 151 CA VAL A 13 -8.033 3.912 -10.916 1.00 0.00 C ATOM 152 C VAL A 13 -9.165 3.078 -10.325 1.00 0.00 C ATOM 153 O VAL A 13 -9.005 1.885 -10.072 1.00 0.00 O ATOM 154 CB VAL A 13 -8.505 4.529 -12.246 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.531 5.599 -12.714 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.672 3.449 -13.304 1.00 0.00 C ATOM 0 H VAL A 13 -6.831 2.535 -11.943 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.776 4.714 -10.223 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.474 5.000 -12.084 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.881 6.023 -13.655 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.467 6.386 -11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.546 5.156 -12.860 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.006 3.902 -14.237 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.718 2.947 -13.465 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.412 2.722 -12.969 1.00 0.00 H new ATOM 166 N GLY A 14 -10.311 3.716 -10.108 1.00 0.00 N ATOM 167 CA GLY A 14 -11.454 3.018 -9.548 1.00 0.00 C ATOM 168 C GLY A 14 -12.017 1.976 -10.494 1.00 0.00 C ATOM 169 O GLY A 14 -12.597 0.981 -10.060 1.00 0.00 O ATOM 0 H GLY A 14 -10.468 4.703 -10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.161 2.537 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.233 3.740 -9.303 1.00 0.00 H new ATOM 173 N LYS A 15 -11.847 2.204 -11.792 1.00 0.00 N ATOM 174 CA LYS A 15 -12.342 1.277 -12.803 1.00 0.00 C ATOM 175 C LYS A 15 -11.412 0.075 -12.942 1.00 0.00 C ATOM 176 O LYS A 15 -11.805 -0.970 -13.460 1.00 0.00 O ATOM 177 CB LYS A 15 -12.478 1.987 -14.152 1.00 0.00 C ATOM 178 CG LYS A 15 -11.230 1.905 -15.013 1.00 0.00 C ATOM 179 CD LYS A 15 -11.308 2.848 -16.201 1.00 0.00 C ATOM 180 CE LYS A 15 -11.944 2.174 -17.407 1.00 0.00 C ATOM 181 NZ LYS A 15 -12.555 3.163 -18.338 1.00 0.00 N ATOM 0 H LYS A 15 -11.370 3.023 -12.169 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.322 0.921 -12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.315 1.553 -14.699 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.721 3.035 -13.978 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.355 2.149 -14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.098 0.883 -15.367 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.887 3.731 -15.929 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.307 3.191 -16.461 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.190 1.593 -17.938 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.707 1.473 -17.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.978 2.664 -19.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.293 3.700 -17.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.822 3.817 -18.680 1.00 0.00 H new ATOM 195 N THR A 16 -10.178 0.231 -12.474 1.00 0.00 N ATOM 196 CA THR A 16 -9.193 -0.841 -12.545 1.00 0.00 C ATOM 197 C THR A 16 -8.599 -1.134 -11.172 1.00 0.00 C ATOM 198 O THR A 16 -7.483 -1.644 -11.063 1.00 0.00 O ATOM 199 CB THR A 16 -8.053 -0.493 -13.521 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.291 0.608 -13.013 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.605 -0.143 -14.895 1.00 0.00 C ATOM 0 H THR A 16 -9.837 1.089 -12.042 1.00 0.00 H new ATOM 0 HA THR A 16 -9.715 -1.726 -12.908 1.00 0.00 H new ATOM 0 HB THR A 16 -7.408 -1.366 -13.617 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.568 0.821 -13.639 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.782 0.099 -15.567 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.159 -0.994 -15.292 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.270 0.717 -14.812 1.00 0.00 H new ATOM 209 N PHE A 17 -9.351 -0.810 -10.126 1.00 0.00 N ATOM 210 CA PHE A 17 -8.898 -1.039 -8.759 1.00 0.00 C ATOM 211 C PHE A 17 -9.224 -2.459 -8.308 1.00 0.00 C ATOM 212 O PHE A 17 -8.502 -3.048 -7.504 1.00 0.00 O ATOM 213 CB PHE A 17 -9.545 -0.029 -7.809 1.00 0.00 C ATOM 214 CG PHE A 17 -9.273 -0.310 -6.359 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.845 -1.405 -5.733 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.445 0.521 -5.622 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.597 -1.667 -4.398 1.00 0.00 C ATOM 218 CE2 PHE A 17 -8.192 0.264 -4.287 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.770 -0.831 -3.675 1.00 0.00 C ATOM 0 H PHE A 17 -10.277 -0.388 -10.199 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.816 -0.909 -8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.182 0.970 -8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.622 -0.026 -7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.493 -2.062 -6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.992 1.379 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.050 -2.524 -3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.543 0.919 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.575 -1.033 -2.632 1.00 0.00 H new ATOM 229 N ASP A 18 -10.318 -3.003 -8.831 1.00 0.00 N ATOM 230 CA ASP A 18 -10.741 -4.355 -8.484 1.00 0.00 C ATOM 231 C ASP A 18 -10.117 -5.379 -9.427 1.00 0.00 C ATOM 232 O ASP A 18 -10.228 -6.585 -9.211 1.00 0.00 O ATOM 233 CB ASP A 18 -12.266 -4.462 -8.531 1.00 0.00 C ATOM 234 CG ASP A 18 -12.915 -4.069 -7.219 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.361 -4.419 -6.155 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.976 -3.412 -7.255 1.00 0.00 O ATOM 0 H ASP A 18 -10.928 -2.528 -9.497 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.400 -4.567 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.648 -3.823 -9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.548 -5.485 -8.780 1.00 0.00 H new ATOM 241 N ALA A 19 -9.461 -4.889 -10.475 1.00 0.00 N ATOM 242 CA ALA A 19 -8.819 -5.761 -11.450 1.00 0.00 C ATOM 243 C ALA A 19 -7.321 -5.866 -11.190 1.00 0.00 C ATOM 244 O ALA A 19 -6.738 -6.946 -11.293 1.00 0.00 O ATOM 245 CB ALA A 19 -9.077 -5.254 -12.861 1.00 0.00 C ATOM 0 H ALA A 19 -9.361 -3.893 -10.670 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.249 -6.757 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.592 -5.915 -13.579 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.150 -5.237 -13.051 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.674 -4.247 -12.965 1.00 0.00 H new ATOM 251 N ILE A 20 -6.703 -4.739 -10.853 1.00 0.00 N ATOM 252 CA ILE A 20 -5.272 -4.706 -10.577 1.00 0.00 C ATOM 253 C ILE A 20 -4.995 -4.868 -9.087 1.00 0.00 C ATOM 254 O ILE A 20 -4.496 -5.904 -8.646 1.00 0.00 O ATOM 255 CB ILE A 20 -4.635 -3.392 -11.066 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.698 -3.306 -12.592 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.196 -3.289 -10.583 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.395 -1.926 -13.133 1.00 0.00 C ATOM 0 H ILE A 20 -7.171 -3.837 -10.765 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.827 -5.540 -11.119 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.198 -2.556 -10.650 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.990 -4.018 -13.017 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.691 -3.607 -12.924 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.759 -2.355 -10.937 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.176 -3.309 -9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.621 -4.129 -10.972 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.458 -1.940 -14.221 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.118 -1.213 -12.737 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.390 -1.630 -12.832 1.00 0.00 H new ATOM 270 N VAL A 21 -5.324 -3.838 -8.313 1.00 0.00 N ATOM 271 CA VAL A 21 -5.114 -3.867 -6.871 1.00 0.00 C ATOM 272 C VAL A 21 -5.745 -5.107 -6.248 1.00 0.00 C ATOM 273 O VAL A 21 -5.311 -5.576 -5.197 1.00 0.00 O ATOM 274 CB VAL A 21 -5.697 -2.613 -6.194 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.326 -2.581 -4.719 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.216 -1.354 -6.900 1.00 0.00 C ATOM 0 H VAL A 21 -5.737 -2.973 -8.661 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.036 -3.891 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.784 -2.652 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.747 -1.688 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.724 -3.467 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.241 -2.565 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.638 -0.477 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.128 -1.306 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.537 -1.376 -7.941 1.00 0.00 H new ATOM 286 N MET A 22 -6.773 -5.635 -6.906 1.00 0.00 N ATOM 287 CA MET A 22 -7.464 -6.823 -6.417 1.00 0.00 C ATOM 288 C MET A 22 -7.215 -8.013 -7.338 1.00 0.00 C ATOM 289 O MET A 22 -8.116 -8.813 -7.590 1.00 0.00 O ATOM 290 CB MET A 22 -8.966 -6.555 -6.304 1.00 0.00 C ATOM 291 CG MET A 22 -9.320 -5.514 -5.255 1.00 0.00 C ATOM 292 SD MET A 22 -8.999 -6.084 -3.575 1.00 0.00 S ATOM 293 CE MET A 22 -8.466 -4.561 -2.797 1.00 0.00 C ATOM 0 H MET A 22 -7.145 -5.259 -7.778 1.00 0.00 H new ATOM 0 HA MET A 22 -7.070 -7.062 -5.429 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.342 -6.225 -7.273 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.476 -7.488 -6.065 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.747 -4.606 -5.442 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.374 -5.251 -5.350 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.422 -4.652 -2.496 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.570 -3.736 -3.502 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.081 -4.366 -1.919 1.00 0.00 H new ATOM 303 N ASP A 23 -5.989 -8.124 -7.836 1.00 0.00 N ATOM 304 CA ASP A 23 -5.622 -9.218 -8.729 1.00 0.00 C ATOM 305 C ASP A 23 -5.297 -10.480 -7.936 1.00 0.00 C ATOM 306 O ASP A 23 -4.289 -10.559 -7.234 1.00 0.00 O ATOM 307 CB ASP A 23 -4.424 -8.820 -9.592 1.00 0.00 C ATOM 308 CG ASP A 23 -3.314 -8.179 -8.782 1.00 0.00 C ATOM 309 OD1 ASP A 23 -3.541 -7.891 -7.588 1.00 0.00 O ATOM 310 OD2 ASP A 23 -2.218 -7.967 -9.342 1.00 0.00 O ATOM 0 H ASP A 23 -5.232 -7.470 -7.637 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.473 -9.427 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.036 -9.703 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.752 -8.126 -10.366 1.00 0.00 H new ATOM 315 N PRO A 24 -6.171 -11.491 -8.049 1.00 0.00 N ATOM 316 CA PRO A 24 -5.998 -12.768 -7.350 1.00 0.00 C ATOM 317 C PRO A 24 -4.835 -13.581 -7.906 1.00 0.00 C ATOM 318 O PRO A 24 -4.622 -14.729 -7.515 1.00 0.00 O ATOM 319 CB PRO A 24 -7.324 -13.491 -7.600 1.00 0.00 C ATOM 320 CG PRO A 24 -7.845 -12.901 -8.865 1.00 0.00 C ATOM 321 CD PRO A 24 -7.394 -11.467 -8.869 1.00 0.00 C ATOM 0 HA PRO A 24 -5.766 -12.627 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.176 -14.567 -7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.020 -13.337 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.458 -13.434 -9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.932 -12.968 -8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.193 -11.112 -9.880 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.150 -10.807 -8.444 1.00 0.00 H new ATOM 329 N LYS A 25 -4.083 -12.980 -8.822 1.00 0.00 N ATOM 330 CA LYS A 25 -2.939 -13.647 -9.432 1.00 0.00 C ATOM 331 C LYS A 25 -1.646 -13.279 -8.711 1.00 0.00 C ATOM 332 O LYS A 25 -0.801 -14.136 -8.454 1.00 0.00 O ATOM 333 CB LYS A 25 -2.834 -13.273 -10.912 1.00 0.00 C ATOM 334 CG LYS A 25 -4.120 -13.496 -11.689 1.00 0.00 C ATOM 335 CD LYS A 25 -3.864 -13.557 -13.186 1.00 0.00 C ATOM 336 CE LYS A 25 -5.165 -13.560 -13.974 1.00 0.00 C ATOM 337 NZ LYS A 25 -5.684 -14.940 -14.180 1.00 0.00 N ATOM 0 H LYS A 25 -4.246 -12.031 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.089 -14.723 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.547 -12.225 -10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.037 -13.858 -11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.588 -14.424 -11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.822 -12.691 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.257 -12.704 -13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.292 -14.454 -13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.911 -12.966 -13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.005 -13.084 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.571 -14.900 -14.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.983 -15.500 -14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.861 -15.386 -13.257 1.00 0.00 H new ATOM 351 N LYS A 26 -1.500 -11.999 -8.385 1.00 0.00 N ATOM 352 CA LYS A 26 -0.312 -11.517 -7.691 1.00 0.00 C ATOM 353 C LYS A 26 -0.664 -10.384 -6.732 1.00 0.00 C ATOM 354 O LYS A 26 -1.640 -9.664 -6.940 1.00 0.00 O ATOM 355 CB LYS A 26 0.735 -11.039 -8.699 1.00 0.00 C ATOM 356 CG LYS A 26 0.232 -9.945 -9.625 1.00 0.00 C ATOM 357 CD LYS A 26 1.363 -9.040 -10.085 1.00 0.00 C ATOM 358 CE LYS A 26 2.032 -9.579 -11.341 1.00 0.00 C ATOM 359 NZ LYS A 26 2.664 -8.493 -12.141 1.00 0.00 N ATOM 0 H LYS A 26 -2.190 -11.277 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 26 0.100 -12.344 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.608 -10.673 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.064 -11.888 -9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.251 -10.395 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.524 -9.351 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.975 -8.040 -10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.102 -8.946 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.788 -10.313 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.293 -10.098 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.882 -8.846 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.009 -7.688 -12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.542 -8.186 -11.676 1.00 0.00 H new ATOM 373 N ASP A 27 0.138 -10.232 -5.684 1.00 0.00 N ATOM 374 CA ASP A 27 -0.088 -9.185 -4.694 1.00 0.00 C ATOM 375 C ASP A 27 0.270 -7.815 -5.262 1.00 0.00 C ATOM 376 O ASP A 27 1.282 -7.660 -5.946 1.00 0.00 O ATOM 377 CB ASP A 27 0.733 -9.459 -3.433 1.00 0.00 C ATOM 378 CG ASP A 27 0.975 -10.939 -3.211 1.00 0.00 C ATOM 379 OD1 ASP A 27 1.743 -11.539 -3.993 1.00 0.00 O ATOM 380 OD2 ASP A 27 0.398 -11.497 -2.255 1.00 0.00 O ATOM 0 H ASP A 27 0.950 -10.820 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.147 -9.186 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.691 -8.944 -3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.215 -9.045 -2.568 1.00 0.00 H new ATOM 385 N VAL A 28 -0.567 -6.823 -4.973 1.00 0.00 N ATOM 386 CA VAL A 28 -0.338 -5.466 -5.455 1.00 0.00 C ATOM 387 C VAL A 28 -0.411 -4.458 -4.313 1.00 0.00 C ATOM 388 O VAL A 28 -1.427 -4.357 -3.623 1.00 0.00 O ATOM 389 CB VAL A 28 -1.362 -5.074 -6.536 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.247 -3.595 -6.871 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.174 -5.927 -7.782 1.00 0.00 C ATOM 0 H VAL A 28 -1.409 -6.934 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 28 0.662 -5.449 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.363 -5.256 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.979 -3.337 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.436 -3.003 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.244 -3.383 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.906 -5.637 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.169 -5.779 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.312 -6.978 -7.528 1.00 0.00 H new ATOM 401 N LEU A 29 0.672 -3.714 -4.118 1.00 0.00 N ATOM 402 CA LEU A 29 0.731 -2.712 -3.059 1.00 0.00 C ATOM 403 C LEU A 29 0.150 -1.384 -3.533 1.00 0.00 C ATOM 404 O LEU A 29 0.769 -0.672 -4.325 1.00 0.00 O ATOM 405 CB LEU A 29 2.177 -2.514 -2.598 1.00 0.00 C ATOM 406 CG LEU A 29 2.388 -1.512 -1.463 1.00 0.00 C ATOM 407 CD1 LEU A 29 1.925 -2.099 -0.139 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.850 -1.097 -1.383 1.00 0.00 C ATOM 0 H LEU A 29 1.521 -3.785 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 29 0.134 -3.070 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.572 -3.479 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.770 -2.193 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 29 1.790 -0.625 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.083 -1.371 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.865 -2.345 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.495 -3.003 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.982 -0.383 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.468 -1.976 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.149 -0.634 -2.324 1.00 0.00 H new ATOM 420 N ILE A 30 -1.040 -1.056 -3.041 1.00 0.00 N ATOM 421 CA ILE A 30 -1.702 0.189 -3.412 1.00 0.00 C ATOM 422 C ILE A 30 -1.349 1.310 -2.440 1.00 0.00 C ATOM 423 O ILE A 30 -1.431 1.138 -1.224 1.00 0.00 O ATOM 424 CB ILE A 30 -3.233 0.021 -3.452 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.885 1.251 -4.086 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.777 -0.210 -2.050 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.515 1.449 -5.540 1.00 0.00 C ATOM 0 H ILE A 30 -1.565 -1.634 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.347 0.451 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.473 -0.850 -4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.968 1.161 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.595 2.137 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.860 -0.327 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.332 -1.112 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.530 0.643 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.013 2.339 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.435 1.571 -5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.830 0.580 -6.117 1.00 0.00 H new ATOM 439 N GLU A 31 -0.959 2.457 -2.986 1.00 0.00 N ATOM 440 CA GLU A 31 -0.595 3.607 -2.166 1.00 0.00 C ATOM 441 C GLU A 31 -1.472 4.811 -2.498 1.00 0.00 C ATOM 442 O GLU A 31 -1.294 5.457 -3.531 1.00 0.00 O ATOM 443 CB GLU A 31 0.879 3.963 -2.372 1.00 0.00 C ATOM 444 CG GLU A 31 1.250 5.343 -1.858 1.00 0.00 C ATOM 445 CD GLU A 31 1.501 5.361 -0.363 1.00 0.00 C ATOM 446 OE1 GLU A 31 0.516 5.426 0.403 1.00 0.00 O ATOM 447 OE2 GLU A 31 2.681 5.309 0.042 1.00 0.00 O ATOM 0 H GLU A 31 -0.887 2.615 -3.991 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.754 3.341 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.497 3.219 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.113 3.906 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.143 5.692 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.449 6.043 -2.097 1.00 0.00 H new ATOM 454 N PHE A 32 -2.419 5.107 -1.615 1.00 0.00 N ATOM 455 CA PHE A 32 -3.325 6.233 -1.814 1.00 0.00 C ATOM 456 C PHE A 32 -2.618 7.556 -1.537 1.00 0.00 C ATOM 457 O PHE A 32 -2.303 7.876 -0.390 1.00 0.00 O ATOM 458 CB PHE A 32 -4.549 6.096 -0.906 1.00 0.00 C ATOM 459 CG PHE A 32 -5.216 4.753 -0.996 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.750 4.309 -2.195 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.308 3.934 0.118 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.363 3.073 -2.281 1.00 0.00 C ATOM 463 CE2 PHE A 32 -5.919 2.698 0.038 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.449 2.267 -1.163 1.00 0.00 C ATOM 0 H PHE A 32 -2.580 4.583 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.650 6.226 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.247 6.274 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.272 6.870 -1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.687 4.936 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.897 4.266 1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.774 2.738 -3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.982 2.069 0.914 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.929 1.302 -1.227 1.00 0.00 H new ATOM 474 N TYR A 33 -2.371 8.320 -2.595 1.00 0.00 N ATOM 475 CA TYR A 33 -1.698 9.607 -2.467 1.00 0.00 C ATOM 476 C TYR A 33 -2.662 10.756 -2.749 1.00 0.00 C ATOM 477 O TYR A 33 -3.588 10.622 -3.548 1.00 0.00 O ATOM 478 CB TYR A 33 -0.506 9.681 -3.424 1.00 0.00 C ATOM 479 CG TYR A 33 -0.903 9.783 -4.879 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.334 10.989 -5.419 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.849 8.674 -5.714 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.699 11.087 -6.747 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.210 8.763 -7.045 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.634 9.972 -7.556 1.00 0.00 C ATOM 485 OH TYR A 33 -1.996 10.065 -8.881 1.00 0.00 O ATOM 0 H TYR A 33 -2.627 8.071 -3.550 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.339 9.700 -1.442 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.107 10.544 -3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.115 8.796 -3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.384 11.865 -4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.519 7.726 -5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.034 12.032 -7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.160 7.892 -7.681 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.665 9.378 -9.086 1.00 0.00 H new ATOM 495 N ALA A 34 -2.435 11.886 -2.086 1.00 0.00 N ATOM 496 CA ALA A 34 -3.281 13.059 -2.266 1.00 0.00 C ATOM 497 C ALA A 34 -2.508 14.196 -2.926 1.00 0.00 C ATOM 498 O ALA A 34 -1.447 14.611 -2.459 1.00 0.00 O ATOM 499 CB ALA A 34 -3.848 13.511 -0.929 1.00 0.00 C ATOM 0 H ALA A 34 -1.673 12.013 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.106 12.784 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.478 14.388 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.443 12.707 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.030 13.763 -0.253 1.00 0.00 H new ATOM 505 N PRO A 35 -3.050 14.714 -4.038 1.00 0.00 N ATOM 506 CA PRO A 35 -2.428 15.810 -4.786 1.00 0.00 C ATOM 507 C PRO A 35 -2.480 17.132 -4.028 1.00 0.00 C ATOM 508 O PRO A 35 -2.024 18.162 -4.525 1.00 0.00 O ATOM 509 CB PRO A 35 -3.270 15.892 -6.062 1.00 0.00 C ATOM 510 CG PRO A 35 -4.595 15.331 -5.678 1.00 0.00 C ATOM 511 CD PRO A 35 -4.313 14.269 -4.651 1.00 0.00 C ATOM 0 HA PRO A 35 -1.369 15.629 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.362 16.921 -6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.818 15.320 -6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.244 16.106 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.107 14.911 -6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.114 14.199 -3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.213 13.285 -5.108 1.00 0.00 H new ATOM 519 N TRP A 36 -3.038 17.096 -2.823 1.00 0.00 N ATOM 520 CA TRP A 36 -3.149 18.293 -1.997 1.00 0.00 C ATOM 521 C TRP A 36 -2.496 18.076 -0.636 1.00 0.00 C ATOM 522 O TRP A 36 -2.747 18.825 0.309 1.00 0.00 O ATOM 523 CB TRP A 36 -4.618 18.678 -1.816 1.00 0.00 C ATOM 524 CG TRP A 36 -5.514 17.502 -1.566 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.295 16.858 -2.483 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.723 16.833 -0.318 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.976 15.829 -1.880 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.642 15.792 -0.552 1.00 0.00 C ATOM 529 CE3 TRP A 36 -5.221 17.011 0.974 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -7.069 14.935 0.459 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.646 16.160 1.977 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.562 15.132 1.715 1.00 0.00 C ATOM 0 H TRP A 36 -3.420 16.252 -2.397 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.628 19.105 -2.504 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.704 19.375 -0.982 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.961 19.204 -2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.367 17.119 -3.528 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.625 15.195 -2.346 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.514 17.799 1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.775 14.143 0.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.266 16.289 2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.874 14.483 2.520 1.00 0.00 H new ATOM 543 N CYS A 37 -1.658 17.050 -0.543 1.00 0.00 N ATOM 544 CA CYS A 37 -0.969 16.735 0.704 1.00 0.00 C ATOM 545 C CYS A 37 0.543 16.837 0.530 1.00 0.00 C ATOM 546 O CYS A 37 1.067 16.638 -0.565 1.00 0.00 O ATOM 547 CB CYS A 37 -1.347 15.331 1.179 1.00 0.00 C ATOM 548 SG CYS A 37 -0.744 14.926 2.835 1.00 0.00 S ATOM 0 H CYS A 37 -1.439 16.422 -1.316 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.280 17.461 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.433 15.234 1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.953 14.601 0.472 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.330 13.694 2.857 1.00 0.00 H new ATOM 554 N GLY A 38 1.238 17.150 1.619 1.00 0.00 N ATOM 555 CA GLY A 38 2.683 17.275 1.565 1.00 0.00 C ATOM 556 C GLY A 38 3.391 16.008 2.000 1.00 0.00 C ATOM 557 O GLY A 38 4.485 15.703 1.522 1.00 0.00 O ATOM 0 H GLY A 38 0.827 17.319 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.985 17.526 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.997 18.101 2.203 1.00 0.00 H new ATOM 561 N HIS A 39 2.769 15.267 2.911 1.00 0.00 N ATOM 562 CA HIS A 39 3.347 14.025 3.412 1.00 0.00 C ATOM 563 C HIS A 39 3.504 13.006 2.287 1.00 0.00 C ATOM 564 O HIS A 39 4.193 11.997 2.442 1.00 0.00 O ATOM 565 CB HIS A 39 2.474 13.443 4.524 1.00 0.00 C ATOM 566 CG HIS A 39 2.222 14.398 5.650 1.00 0.00 C ATOM 567 ND1 HIS A 39 1.511 15.548 5.692 1.00 0.00 N flip ATOM 568 CD2 HIS A 39 2.733 14.217 6.918 1.00 0.00 C flip ATOM 569 CE1 HIS A 39 1.602 16.037 6.973 1.00 0.00 C flip ATOM 570 NE2 HIS A 39 2.344 15.215 7.692 1.00 0.00 N flip ATOM 0 H HIS A 39 1.864 15.505 3.318 1.00 0.00 H new ATOM 0 HA HIS A 39 4.334 14.250 3.816 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.519 13.134 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.953 12.547 4.919 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.354 13.390 7.230 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.142 16.945 7.333 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.578 15.331 8.678 1.00 0.00 H new ATOM 579 N CYS A 40 2.861 13.277 1.156 1.00 0.00 N ATOM 580 CA CYS A 40 2.929 12.383 0.006 1.00 0.00 C ATOM 581 C CYS A 40 4.011 12.834 -0.970 1.00 0.00 C ATOM 582 O CYS A 40 4.791 12.021 -1.468 1.00 0.00 O ATOM 583 CB CYS A 40 1.575 12.330 -0.704 1.00 0.00 C ATOM 584 SG CYS A 40 1.039 13.913 -1.393 1.00 0.00 S ATOM 0 H CYS A 40 2.287 14.108 1.011 1.00 0.00 H new ATOM 0 HA CYS A 40 3.183 11.386 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.627 11.595 -1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.821 11.979 0.001 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.160 13.791 -1.879 1.00 0.00 H new ATOM 590 N LYS A 41 4.051 14.134 -1.242 1.00 0.00 N ATOM 591 CA LYS A 41 5.037 14.694 -2.158 1.00 0.00 C ATOM 592 C LYS A 41 6.449 14.270 -1.765 1.00 0.00 C ATOM 593 O LYS A 41 7.334 14.168 -2.614 1.00 0.00 O ATOM 594 CB LYS A 41 4.939 16.221 -2.175 1.00 0.00 C ATOM 595 CG LYS A 41 5.540 16.883 -0.947 1.00 0.00 C ATOM 596 CD LYS A 41 6.113 18.251 -1.275 1.00 0.00 C ATOM 597 CE LYS A 41 7.240 18.626 -0.324 1.00 0.00 C ATOM 598 NZ LYS A 41 8.566 18.178 -0.832 1.00 0.00 N ATOM 0 H LYS A 41 3.411 14.820 -0.841 1.00 0.00 H new ATOM 0 HA LYS A 41 4.826 14.311 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.443 16.599 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.891 16.509 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.776 16.983 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.325 16.247 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.484 18.255 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.323 19.000 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.251 19.707 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.055 18.179 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.307 18.452 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.564 17.144 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.754 18.625 -1.752 1.00 0.00 H new ATOM 612 N GLN A 42 6.650 14.022 -0.475 1.00 0.00 N ATOM 613 CA GLN A 42 7.954 13.608 0.028 1.00 0.00 C ATOM 614 C GLN A 42 8.204 12.131 -0.258 1.00 0.00 C ATOM 615 O GLN A 42 9.344 11.710 -0.457 1.00 0.00 O ATOM 616 CB GLN A 42 8.051 13.871 1.532 1.00 0.00 C ATOM 617 CG GLN A 42 7.503 12.738 2.385 1.00 0.00 C ATOM 618 CD GLN A 42 7.218 13.167 3.811 1.00 0.00 C ATOM 619 OE1 GLN A 42 6.743 14.276 4.055 1.00 0.00 O ATOM 620 NE2 GLN A 42 7.507 12.287 4.763 1.00 0.00 N ATOM 0 H GLN A 42 5.927 14.101 0.240 1.00 0.00 H new ATOM 0 HA GLN A 42 8.716 14.193 -0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.095 14.041 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.509 14.787 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.586 12.359 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.218 11.915 2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.900 11.379 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.336 12.520 5.741 1.00 0.00 H new ATOM 629 N LEU A 43 7.131 11.347 -0.277 1.00 0.00 N ATOM 630 CA LEU A 43 7.233 9.916 -0.538 1.00 0.00 C ATOM 631 C LEU A 43 7.267 9.637 -2.038 1.00 0.00 C ATOM 632 O LEU A 43 7.660 8.554 -2.468 1.00 0.00 O ATOM 633 CB LEU A 43 6.059 9.175 0.103 1.00 0.00 C ATOM 634 CG LEU A 43 6.015 7.663 -0.122 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.023 6.960 0.774 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.613 7.127 0.125 1.00 0.00 C ATOM 0 H LEU A 43 6.180 11.679 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 43 8.164 9.558 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.080 9.362 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.133 9.606 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 43 6.281 7.462 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.977 5.885 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.026 7.322 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.789 7.169 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.601 6.050 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.318 7.340 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.914 7.607 -0.560 1.00 0.00 H new ATOM 648 N GLU A 44 6.854 10.624 -2.827 1.00 0.00 N ATOM 649 CA GLU A 44 6.838 10.484 -4.279 1.00 0.00 C ATOM 650 C GLU A 44 8.078 9.740 -4.767 1.00 0.00 C ATOM 651 O GLU A 44 7.991 8.708 -5.432 1.00 0.00 O ATOM 652 CB GLU A 44 6.760 11.860 -4.944 1.00 0.00 C ATOM 653 CG GLU A 44 5.342 12.306 -5.256 1.00 0.00 C ATOM 654 CD GLU A 44 4.527 11.225 -5.940 1.00 0.00 C ATOM 655 OE1 GLU A 44 4.960 10.740 -7.005 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.456 10.864 -5.408 1.00 0.00 O ATOM 0 H GLU A 44 6.527 11.528 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 44 5.957 9.905 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.228 12.597 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.337 11.841 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.846 12.599 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.375 13.189 -5.894 1.00 0.00 H new ATOM 663 N PRO A 45 9.260 10.276 -4.430 1.00 0.00 N ATOM 664 CA PRO A 45 10.540 9.680 -4.823 1.00 0.00 C ATOM 665 C PRO A 45 10.817 8.369 -4.096 1.00 0.00 C ATOM 666 O PRO A 45 11.149 7.360 -4.720 1.00 0.00 O ATOM 667 CB PRO A 45 11.566 10.743 -4.418 1.00 0.00 C ATOM 668 CG PRO A 45 10.908 11.504 -3.319 1.00 0.00 C ATOM 669 CD PRO A 45 9.438 11.505 -3.638 1.00 0.00 C ATOM 0 HA PRO A 45 10.563 9.427 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.497 10.287 -4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.814 11.393 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.097 11.036 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.296 12.521 -3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.830 11.491 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.150 12.392 -4.202 1.00 0.00 H new ATOM 677 N ILE A 46 10.678 8.389 -2.775 1.00 0.00 N ATOM 678 CA ILE A 46 10.912 7.201 -1.964 1.00 0.00 C ATOM 679 C ILE A 46 10.147 6.001 -2.514 1.00 0.00 C ATOM 680 O ILE A 46 10.634 4.871 -2.476 1.00 0.00 O ATOM 681 CB ILE A 46 10.500 7.430 -0.498 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.349 8.539 0.126 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.635 6.140 0.298 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.716 9.172 1.345 1.00 0.00 C ATOM 0 H ILE A 46 10.404 9.215 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 46 11.982 6.997 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 46 9.456 7.741 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.321 8.129 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.530 9.311 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.340 6.318 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.991 5.375 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.671 5.801 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.374 9.949 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.757 9.612 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.560 8.412 2.110 1.00 0.00 H new ATOM 696 N TYR A 47 8.948 6.255 -3.025 1.00 0.00 N ATOM 697 CA TYR A 47 8.115 5.197 -3.583 1.00 0.00 C ATOM 698 C TYR A 47 8.598 4.799 -4.974 1.00 0.00 C ATOM 699 O TYR A 47 8.614 3.619 -5.326 1.00 0.00 O ATOM 700 CB TYR A 47 6.655 5.648 -3.648 1.00 0.00 C ATOM 701 CG TYR A 47 5.664 4.517 -3.488 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.740 3.647 -2.408 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.650 4.320 -4.417 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.837 2.612 -2.258 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.742 3.289 -4.275 1.00 0.00 C ATOM 706 CZ TYR A 47 3.840 2.437 -3.195 1.00 0.00 C ATOM 707 OH TYR A 47 2.938 1.409 -3.049 1.00 0.00 O ATOM 0 H TYR A 47 8.531 7.185 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 47 8.191 4.328 -2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.477 6.389 -2.868 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.478 6.142 -4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.519 3.782 -1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.570 4.984 -5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.911 1.944 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.959 3.151 -5.006 1.00 0.00 H new ATOM 0 HH TYR A 47 2.300 1.425 -3.793 1.00 0.00 H new ATOM 717 N THR A 48 8.993 5.794 -5.763 1.00 0.00 N ATOM 718 CA THR A 48 9.477 5.550 -7.116 1.00 0.00 C ATOM 719 C THR A 48 10.476 4.399 -7.144 1.00 0.00 C ATOM 720 O THR A 48 10.232 3.367 -7.769 1.00 0.00 O ATOM 721 CB THR A 48 10.141 6.806 -7.710 1.00 0.00 C ATOM 722 OG1 THR A 48 9.207 7.892 -7.730 1.00 0.00 O ATOM 723 CG2 THR A 48 10.644 6.538 -9.120 1.00 0.00 C ATOM 0 H THR A 48 8.987 6.776 -5.488 1.00 0.00 H new ATOM 0 HA THR A 48 8.608 5.287 -7.720 1.00 0.00 H new ATOM 0 HB THR A 48 10.992 7.070 -7.082 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.977 8.143 -6.811 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.109 7.440 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.377 5.732 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.807 6.250 -9.756 1.00 0.00 H new ATOM 731 N SER A 49 11.603 4.583 -6.463 1.00 0.00 N ATOM 732 CA SER A 49 12.641 3.561 -6.412 1.00 0.00 C ATOM 733 C SER A 49 12.108 2.275 -5.787 1.00 0.00 C ATOM 734 O SER A 49 12.495 1.173 -6.178 1.00 0.00 O ATOM 735 CB SER A 49 13.846 4.066 -5.616 1.00 0.00 C ATOM 736 OG SER A 49 14.481 5.144 -6.282 1.00 0.00 O ATOM 0 H SER A 49 11.820 5.431 -5.939 1.00 0.00 H new ATOM 0 HA SER A 49 12.954 3.346 -7.434 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.523 4.386 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.558 3.253 -5.472 1.00 0.00 H new ATOM 0 HG SER A 49 15.247 5.450 -5.753 1.00 0.00 H new ATOM 742 N LEU A 50 11.216 2.424 -4.814 1.00 0.00 N ATOM 743 CA LEU A 50 10.628 1.276 -4.133 1.00 0.00 C ATOM 744 C LEU A 50 9.911 0.363 -5.123 1.00 0.00 C ATOM 745 O LEU A 50 9.956 -0.860 -5.001 1.00 0.00 O ATOM 746 CB LEU A 50 9.650 1.744 -3.054 1.00 0.00 C ATOM 747 CG LEU A 50 9.023 0.645 -2.194 1.00 0.00 C ATOM 748 CD1 LEU A 50 10.014 0.153 -1.151 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.752 1.150 -1.527 1.00 0.00 C ATOM 0 H LEU A 50 10.884 3.328 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 50 11.434 0.711 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.171 2.439 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.848 2.302 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 50 8.762 -0.192 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.550 -0.628 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.897 -0.248 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.306 0.982 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.319 0.355 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.989 2.004 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.036 1.453 -2.291 1.00 0.00 H new ATOM 761 N GLY A 51 9.253 0.968 -6.108 1.00 0.00 N ATOM 762 CA GLY A 51 8.538 0.195 -7.106 1.00 0.00 C ATOM 763 C GLY A 51 9.430 -0.233 -8.255 1.00 0.00 C ATOM 764 O GLY A 51 9.535 -1.422 -8.560 1.00 0.00 O ATOM 0 H GLY A 51 9.203 1.979 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.106 -0.689 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.709 0.787 -7.494 1.00 0.00 H new ATOM 768 N LYS A 52 10.073 0.737 -8.896 1.00 0.00 N ATOM 769 CA LYS A 52 10.960 0.455 -10.019 1.00 0.00 C ATOM 770 C LYS A 52 11.957 -0.642 -9.662 1.00 0.00 C ATOM 771 O LYS A 52 12.427 -1.376 -10.532 1.00 0.00 O ATOM 772 CB LYS A 52 11.708 1.724 -10.434 1.00 0.00 C ATOM 773 CG LYS A 52 13.045 1.898 -9.735 1.00 0.00 C ATOM 774 CD LYS A 52 13.619 3.286 -9.968 1.00 0.00 C ATOM 775 CE LYS A 52 15.069 3.372 -9.516 1.00 0.00 C ATOM 776 NZ LYS A 52 16.014 3.024 -10.613 1.00 0.00 N ATOM 0 H LYS A 52 9.997 1.726 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 52 10.351 0.110 -10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.871 1.704 -11.512 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.081 2.591 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.922 1.729 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.747 1.147 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.551 3.536 -11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.024 4.022 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.280 4.381 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.227 2.699 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.991 3.095 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.830 2.052 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.881 3.682 -11.407 1.00 0.00 H new ATOM 790 N LYS A 53 12.276 -0.750 -8.377 1.00 0.00 N ATOM 791 CA LYS A 53 13.216 -1.760 -7.903 1.00 0.00 C ATOM 792 C LYS A 53 12.501 -3.076 -7.616 1.00 0.00 C ATOM 793 O LYS A 53 13.003 -4.151 -7.947 1.00 0.00 O ATOM 794 CB LYS A 53 13.930 -1.270 -6.641 1.00 0.00 C ATOM 795 CG LYS A 53 13.111 -1.440 -5.374 1.00 0.00 C ATOM 796 CD LYS A 53 13.698 -0.645 -4.219 1.00 0.00 C ATOM 797 CE LYS A 53 15.136 -1.052 -3.937 1.00 0.00 C ATOM 798 NZ LYS A 53 15.561 -0.668 -2.562 1.00 0.00 N ATOM 0 H LYS A 53 11.897 -0.150 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 53 13.953 -1.930 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.869 -1.812 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.182 -0.216 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.086 -1.116 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.069 -2.496 -5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.659 0.419 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.093 -0.799 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.240 -2.130 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.796 -0.582 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.509 -1.051 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.584 0.369 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.887 -1.053 -1.870 1.00 0.00 H new ATOM 812 N TYR A 54 11.327 -2.985 -7.001 1.00 0.00 N ATOM 813 CA TYR A 54 10.544 -4.170 -6.670 1.00 0.00 C ATOM 814 C TYR A 54 9.802 -4.693 -7.896 1.00 0.00 C ATOM 815 O TYR A 54 9.073 -5.683 -7.820 1.00 0.00 O ATOM 816 CB TYR A 54 9.548 -3.852 -5.553 1.00 0.00 C ATOM 817 CG TYR A 54 10.100 -4.082 -4.165 1.00 0.00 C ATOM 818 CD1 TYR A 54 11.018 -3.201 -3.606 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.704 -5.181 -3.412 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.526 -3.408 -2.338 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.206 -5.395 -2.143 1.00 0.00 C ATOM 822 CZ TYR A 54 11.117 -4.506 -1.610 1.00 0.00 C ATOM 823 OH TYR A 54 11.619 -4.715 -0.347 1.00 0.00 O ATOM 0 H TYR A 54 10.897 -2.103 -6.722 1.00 0.00 H new ATOM 0 HA TYR A 54 11.230 -4.944 -6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.235 -2.812 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.657 -4.466 -5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.340 -2.340 -4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.992 -5.879 -3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.239 -2.714 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.887 -6.254 -1.571 1.00 0.00 H new ATOM 0 HH TYR A 54 11.922 -5.643 -0.265 1.00 0.00 H new ATOM 833 N LYS A 55 9.992 -4.020 -9.026 1.00 0.00 N ATOM 834 CA LYS A 55 9.343 -4.416 -10.270 1.00 0.00 C ATOM 835 C LYS A 55 9.747 -5.832 -10.668 1.00 0.00 C ATOM 836 O LYS A 55 8.939 -6.591 -11.203 1.00 0.00 O ATOM 837 CB LYS A 55 9.705 -3.438 -11.391 1.00 0.00 C ATOM 838 CG LYS A 55 8.733 -2.278 -11.523 1.00 0.00 C ATOM 839 CD LYS A 55 9.086 -1.386 -12.701 1.00 0.00 C ATOM 840 CE LYS A 55 8.393 -1.845 -13.975 1.00 0.00 C ATOM 841 NZ LYS A 55 8.551 -0.858 -15.079 1.00 0.00 N ATOM 0 H LYS A 55 10.590 -3.198 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 55 8.265 -4.396 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.705 -3.044 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.742 -3.979 -12.336 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.721 -2.663 -11.647 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.740 -1.690 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.799 -0.358 -12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.166 -1.390 -12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.803 -2.806 -14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.333 -2.000 -13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.065 -1.207 -15.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.137 0.052 -14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.562 -0.728 -15.287 1.00 0.00 H new ATOM 855 N GLY A 56 11.001 -6.183 -10.400 1.00 0.00 N ATOM 856 CA GLY A 56 11.488 -7.508 -10.735 1.00 0.00 C ATOM 857 C GLY A 56 11.276 -8.505 -9.613 1.00 0.00 C ATOM 858 O GLY A 56 12.130 -9.353 -9.359 1.00 0.00 O ATOM 0 H GLY A 56 11.688 -5.573 -9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.980 -7.862 -11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.551 -7.452 -10.971 1.00 0.00 H new ATOM 862 N GLN A 57 10.134 -8.402 -8.940 1.00 0.00 N ATOM 863 CA GLN A 57 9.814 -9.301 -7.838 1.00 0.00 C ATOM 864 C GLN A 57 8.914 -10.439 -8.307 1.00 0.00 C ATOM 865 O GLN A 57 8.530 -10.501 -9.475 1.00 0.00 O ATOM 866 CB GLN A 57 9.134 -8.530 -6.705 1.00 0.00 C ATOM 867 CG GLN A 57 10.105 -7.982 -5.672 1.00 0.00 C ATOM 868 CD GLN A 57 10.836 -9.077 -4.920 1.00 0.00 C ATOM 869 OE1 GLN A 57 11.912 -9.515 -5.328 1.00 0.00 O ATOM 870 NE2 GLN A 57 10.254 -9.525 -3.814 1.00 0.00 N ATOM 0 H GLN A 57 9.416 -7.705 -9.139 1.00 0.00 H new ATOM 0 HA GLN A 57 10.746 -9.729 -7.469 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.565 -7.704 -7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.420 -9.187 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.832 -7.339 -6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.561 -7.359 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.362 -9.133 -3.513 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.699 -10.261 -3.266 1.00 0.00 H new ATOM 879 N LYS A 58 8.580 -11.340 -7.389 1.00 0.00 N ATOM 880 CA LYS A 58 7.724 -12.476 -7.707 1.00 0.00 C ATOM 881 C LYS A 58 6.259 -12.147 -7.436 1.00 0.00 C ATOM 882 O LYS A 58 5.846 -12.014 -6.284 1.00 0.00 O ATOM 883 CB LYS A 58 8.142 -13.701 -6.890 1.00 0.00 C ATOM 884 CG LYS A 58 9.221 -14.537 -7.556 1.00 0.00 C ATOM 885 CD LYS A 58 10.612 -14.077 -7.154 1.00 0.00 C ATOM 886 CE LYS A 58 11.156 -13.036 -8.120 1.00 0.00 C ATOM 887 NZ LYS A 58 11.567 -13.643 -9.416 1.00 0.00 N ATOM 0 H LYS A 58 8.890 -11.305 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 58 7.838 -12.698 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.500 -13.372 -5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.267 -14.326 -6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.091 -15.584 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.115 -14.474 -8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.582 -13.660 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.285 -14.934 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.396 -12.275 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.010 -12.532 -7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.128 -12.956 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.139 -14.492 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.721 -13.905 -9.960 1.00 0.00 H new ATOM 901 N ASP A 59 5.479 -12.019 -8.503 1.00 0.00 N ATOM 902 CA ASP A 59 4.060 -11.708 -8.380 1.00 0.00 C ATOM 903 C ASP A 59 3.844 -10.502 -7.471 1.00 0.00 C ATOM 904 O ASP A 59 3.044 -10.551 -6.535 1.00 0.00 O ATOM 905 CB ASP A 59 3.297 -12.916 -7.835 1.00 0.00 C ATOM 906 CG ASP A 59 4.005 -14.225 -8.121 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.432 -14.430 -9.277 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.134 -15.045 -7.188 1.00 0.00 O ATOM 0 H ASP A 59 5.805 -12.126 -9.463 1.00 0.00 H new ATOM 0 HA ASP A 59 3.680 -11.465 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.167 -12.804 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.300 -12.942 -8.276 1.00 0.00 H new ATOM 913 N LEU A 60 4.564 -9.421 -7.750 1.00 0.00 N ATOM 914 CA LEU A 60 4.453 -8.202 -6.957 1.00 0.00 C ATOM 915 C LEU A 60 4.567 -6.964 -7.841 1.00 0.00 C ATOM 916 O LEU A 60 5.513 -6.828 -8.618 1.00 0.00 O ATOM 917 CB LEU A 60 5.536 -8.172 -5.877 1.00 0.00 C ATOM 918 CG LEU A 60 5.416 -7.058 -4.837 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.555 -7.509 -3.667 1.00 0.00 C ATOM 920 CD2 LEU A 60 6.794 -6.629 -4.353 1.00 0.00 C ATOM 0 H LEU A 60 5.231 -9.364 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 60 3.473 -8.197 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.529 -9.130 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.506 -8.082 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 60 4.934 -6.200 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.481 -6.703 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.558 -7.765 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.007 -8.383 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.689 -5.835 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.303 -7.481 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.379 -6.263 -5.197 1.00 0.00 H new ATOM 932 N VAL A 61 3.598 -6.063 -7.717 1.00 0.00 N ATOM 933 CA VAL A 61 3.591 -4.835 -8.503 1.00 0.00 C ATOM 934 C VAL A 61 3.139 -3.646 -7.661 1.00 0.00 C ATOM 935 O VAL A 61 1.959 -3.519 -7.331 1.00 0.00 O ATOM 936 CB VAL A 61 2.670 -4.959 -9.731 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.665 -3.664 -10.528 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.099 -6.129 -10.602 1.00 0.00 C ATOM 0 H VAL A 61 2.808 -6.160 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 61 4.614 -4.670 -8.841 1.00 0.00 H new ATOM 0 HB VAL A 61 1.654 -5.147 -9.384 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.009 -3.771 -11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.306 -2.850 -9.898 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.677 -3.441 -10.867 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.437 -6.202 -11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.123 -5.973 -10.942 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.045 -7.052 -10.024 1.00 0.00 H new ATOM 948 N ILE A 62 4.085 -2.779 -7.316 1.00 0.00 N ATOM 949 CA ILE A 62 3.784 -1.600 -6.514 1.00 0.00 C ATOM 950 C ILE A 62 3.077 -0.535 -7.346 1.00 0.00 C ATOM 951 O ILE A 62 3.680 0.087 -8.219 1.00 0.00 O ATOM 952 CB ILE A 62 5.061 -0.994 -5.903 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.745 -2.010 -4.986 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.729 0.279 -5.138 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.983 -1.470 -4.304 1.00 0.00 C ATOM 0 H ILE A 62 5.066 -2.871 -7.579 1.00 0.00 H new ATOM 0 HA ILE A 62 3.125 -1.926 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 62 5.748 -0.741 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.035 -2.338 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.016 -2.890 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.642 0.696 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.281 1.005 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.026 0.049 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.416 -2.244 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.711 -1.169 -5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.715 -0.608 -3.693 1.00 0.00 H new ATOM 967 N ALA A 63 1.794 -0.329 -7.066 1.00 0.00 N ATOM 968 CA ALA A 63 1.005 0.663 -7.786 1.00 0.00 C ATOM 969 C ALA A 63 0.384 1.672 -6.826 1.00 0.00 C ATOM 970 O ALA A 63 0.261 1.412 -5.629 1.00 0.00 O ATOM 971 CB ALA A 63 -0.077 -0.019 -8.610 1.00 0.00 C ATOM 0 H ALA A 63 1.279 -0.836 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 63 1.672 1.203 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.658 0.734 -9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.385 -0.695 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.734 -0.585 -7.950 1.00 0.00 H new ATOM 977 N LYS A 64 -0.005 2.826 -7.357 1.00 0.00 N ATOM 978 CA LYS A 64 -0.614 3.875 -6.548 1.00 0.00 C ATOM 979 C LYS A 64 -1.977 4.271 -7.107 1.00 0.00 C ATOM 980 O LYS A 64 -2.293 3.981 -8.260 1.00 0.00 O ATOM 981 CB LYS A 64 0.302 5.100 -6.492 1.00 0.00 C ATOM 982 CG LYS A 64 0.552 5.735 -7.849 1.00 0.00 C ATOM 983 CD LYS A 64 1.485 6.930 -7.742 1.00 0.00 C ATOM 984 CE LYS A 64 1.642 7.636 -9.080 1.00 0.00 C ATOM 985 NZ LYS A 64 2.280 8.973 -8.930 1.00 0.00 N ATOM 0 H LYS A 64 0.091 3.059 -8.345 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.754 3.487 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.139 5.843 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.257 4.809 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.983 4.995 -8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.396 6.050 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.097 7.631 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.461 6.600 -7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.244 7.019 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.664 7.751 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.369 9.422 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.693 9.570 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.224 8.862 -8.508 1.00 0.00 H new ATOM 999 N MET A 65 -2.779 4.937 -6.282 1.00 0.00 N ATOM 1000 CA MET A 65 -4.107 5.375 -6.696 1.00 0.00 C ATOM 1001 C MET A 65 -4.509 6.653 -5.968 1.00 0.00 C ATOM 1002 O MET A 65 -4.024 6.933 -4.871 1.00 0.00 O ATOM 1003 CB MET A 65 -5.136 4.276 -6.427 1.00 0.00 C ATOM 1004 CG MET A 65 -6.545 4.642 -6.865 1.00 0.00 C ATOM 1005 SD MET A 65 -7.537 5.320 -5.521 1.00 0.00 S ATOM 1006 CE MET A 65 -9.008 4.307 -5.641 1.00 0.00 C ATOM 0 H MET A 65 -2.533 5.185 -5.324 1.00 0.00 H new ATOM 0 HA MET A 65 -4.077 5.581 -7.766 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.828 3.367 -6.944 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.143 4.049 -5.361 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.492 5.370 -7.675 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.039 3.756 -7.264 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.860 4.854 -5.237 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.197 4.062 -6.686 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.864 3.388 -5.073 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.396 7.426 -6.584 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.864 8.675 -5.994 1.00 0.00 C ATOM 1018 C ASP A 66 -7.207 8.478 -5.299 1.00 0.00 C ATOM 1019 O ASP A 66 -8.262 8.586 -5.924 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.985 9.757 -7.068 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.699 9.944 -7.849 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.108 8.928 -8.271 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -4.282 11.107 -8.037 1.00 0.00 O ATOM 0 H ASP A 66 -5.806 7.210 -7.493 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.134 8.993 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.789 9.494 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.262 10.701 -6.599 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.161 8.187 -4.003 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.374 7.976 -3.223 1.00 0.00 C ATOM 1030 C ALA A 67 -9.238 9.233 -3.201 1.00 0.00 C ATOM 1031 O ALA A 67 -10.453 9.161 -3.013 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.023 7.550 -1.806 1.00 0.00 C ATOM 0 H ALA A 67 -6.296 8.092 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.948 7.180 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.939 7.396 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.453 6.621 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.425 8.327 -1.330 1.00 0.00 H new ATOM 1038 N THR A 68 -8.603 10.385 -3.394 1.00 0.00 N ATOM 1039 CA THR A 68 -9.314 11.658 -3.394 1.00 0.00 C ATOM 1040 C THR A 68 -10.314 11.729 -4.542 1.00 0.00 C ATOM 1041 O THR A 68 -11.368 12.352 -4.421 1.00 0.00 O ATOM 1042 CB THR A 68 -8.338 12.845 -3.503 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.695 12.834 -4.783 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.291 12.788 -2.402 1.00 0.00 C ATOM 0 H THR A 68 -7.598 10.463 -3.552 1.00 0.00 H new ATOM 0 HA THR A 68 -9.849 11.722 -2.446 1.00 0.00 H new ATOM 0 HB THR A 68 -8.908 13.767 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.077 13.592 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.613 13.636 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.783 12.827 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.725 11.860 -2.486 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.977 11.087 -5.655 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.848 11.075 -6.824 1.00 0.00 C ATOM 1054 C ALA A 69 -11.635 9.772 -6.910 1.00 0.00 C ATOM 1055 O ALA A 69 -12.835 9.777 -7.180 1.00 0.00 O ATOM 1056 CB ALA A 69 -10.033 11.286 -8.092 1.00 0.00 C ATOM 0 H ALA A 69 -9.107 10.568 -5.772 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.561 11.893 -6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.696 11.275 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.521 12.247 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.297 10.488 -8.189 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.950 8.656 -6.678 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.586 7.345 -6.731 1.00 0.00 C ATOM 1064 C ASN A 70 -12.113 6.941 -5.357 1.00 0.00 C ATOM 1065 O ASN A 70 -11.383 6.973 -4.367 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.595 6.295 -7.238 1.00 0.00 C ATOM 1067 CG ASN A 70 -10.261 6.477 -8.706 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -11.064 6.153 -9.582 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -9.071 6.998 -8.982 1.00 0.00 N ATOM 0 H ASN A 70 -9.956 8.634 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.428 7.404 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.679 6.350 -6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.013 5.300 -7.084 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.791 7.144 -9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.437 7.252 -8.224 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.385 6.560 -5.307 1.00 0.00 N ATOM 1077 CA ASP A 71 -14.011 6.148 -4.056 1.00 0.00 C ATOM 1078 C ASP A 71 -13.773 4.664 -3.793 1.00 0.00 C ATOM 1079 O ASP A 71 -14.266 3.807 -4.527 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.512 6.438 -4.091 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.812 7.912 -4.282 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.573 8.693 -3.337 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.286 8.285 -5.376 1.00 0.00 O ATOM 0 H ASP A 71 -14.003 6.528 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.558 6.720 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.970 5.869 -4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.967 6.095 -3.162 1.00 0.00 H new ATOM 1088 N ILE A 72 -13.015 4.368 -2.742 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.713 2.988 -2.383 1.00 0.00 C ATOM 1090 C ILE A 72 -13.943 2.285 -1.820 1.00 0.00 C ATOM 1091 O ILE A 72 -14.172 2.283 -0.610 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.573 2.912 -1.350 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.338 3.654 -1.865 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.236 1.461 -1.040 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.403 4.106 -0.765 1.00 0.00 C ATOM 0 H ILE A 72 -12.599 5.065 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.397 2.485 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.904 3.393 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.793 3.004 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.659 4.524 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.429 1.423 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.116 0.962 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.921 0.957 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.550 4.625 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.932 4.781 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.052 3.238 -0.206 1.00 0.00 H new ATOM 1107 N THR A 73 -14.733 1.685 -2.705 1.00 0.00 N ATOM 1108 CA THR A 73 -15.940 0.977 -2.297 1.00 0.00 C ATOM 1109 C THR A 73 -15.630 -0.067 -1.231 1.00 0.00 C ATOM 1110 O THR A 73 -16.403 -0.259 -0.294 1.00 0.00 O ATOM 1111 CB THR A 73 -16.618 0.286 -3.495 1.00 0.00 C ATOM 1112 OG1 THR A 73 -15.704 -0.625 -4.116 1.00 0.00 O ATOM 1113 CG2 THR A 73 -17.091 1.311 -4.514 1.00 0.00 C ATOM 0 H THR A 73 -14.558 1.675 -3.710 1.00 0.00 H new ATOM 0 HA THR A 73 -16.620 1.722 -1.885 1.00 0.00 H new ATOM 0 HB THR A 73 -17.485 -0.263 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.143 -1.062 -4.876 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.566 0.799 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.808 1.985 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.238 1.884 -4.877 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.494 -0.740 -1.381 1.00 0.00 N ATOM 1122 CA ASN A 74 -14.082 -1.766 -0.429 1.00 0.00 C ATOM 1123 C ASN A 74 -14.155 -1.241 1.002 1.00 0.00 C ATOM 1124 O ASN A 74 -13.727 -0.123 1.286 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.660 -2.238 -0.740 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.561 -2.930 -2.085 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -13.349 -2.662 -2.993 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.591 -3.826 -2.220 1.00 0.00 N ATOM 0 H ASN A 74 -13.842 -0.594 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.766 -2.610 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.985 -1.383 -0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.328 -2.921 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.476 -4.324 -3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.961 -4.017 -1.441 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.699 -2.057 1.898 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.827 -1.677 3.300 1.00 0.00 C ATOM 1137 C ASP A 75 -13.627 -2.164 4.106 1.00 0.00 C ATOM 1138 O ASP A 75 -13.661 -2.181 5.336 1.00 0.00 O ATOM 1139 CB ASP A 75 -16.119 -2.246 3.889 1.00 0.00 C ATOM 1140 CG ASP A 75 -17.358 -1.610 3.290 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.569 -0.400 3.512 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -18.116 -2.324 2.600 1.00 0.00 O ATOM 0 H ASP A 75 -15.058 -2.986 1.678 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.861 -0.589 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.149 -3.322 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.121 -2.093 4.968 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.570 -2.560 3.405 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.361 -3.049 4.056 1.00 0.00 C ATOM 1149 C GLN A 76 -10.244 -2.014 3.979 1.00 0.00 C ATOM 1150 O GLN A 76 -9.464 -1.856 4.918 1.00 0.00 O ATOM 1151 CB GLN A 76 -10.904 -4.359 3.412 1.00 0.00 C ATOM 1152 CG GLN A 76 -12.036 -5.344 3.166 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.546 -5.979 4.445 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -12.792 -5.292 5.437 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.708 -7.296 4.428 1.00 0.00 N ATOM 0 H GLN A 76 -12.526 -2.552 2.386 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.592 -3.229 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.415 -4.137 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.158 -4.828 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.858 -4.830 2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.691 -6.126 2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.492 -7.826 3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -13.049 -7.779 5.259 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.173 -1.311 2.854 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.149 -0.292 2.653 1.00 0.00 C ATOM 1166 C TYR A 77 -9.704 1.101 2.936 1.00 0.00 C ATOM 1167 O TYR A 77 -10.412 1.679 2.112 1.00 0.00 O ATOM 1168 CB TYR A 77 -8.609 -0.358 1.223 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.091 -1.724 0.833 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.954 -2.804 0.699 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -6.738 -1.934 0.599 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.485 -4.053 0.344 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.260 -3.180 0.242 1.00 0.00 C ATOM 1174 CZ TYR A 77 -7.137 -4.236 0.116 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.666 -5.480 -0.239 1.00 0.00 O ATOM 0 H TYR A 77 -10.812 -1.428 2.068 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.335 -0.487 3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.400 -0.068 0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.806 0.371 1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.010 -2.664 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.048 -1.109 0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.170 -4.882 0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.205 -3.326 0.063 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.001 -6.149 0.393 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.375 1.634 4.107 1.00 0.00 N ATOM 1186 CA LYS A 78 -9.837 2.960 4.501 1.00 0.00 C ATOM 1187 C LYS A 78 -8.684 3.959 4.506 1.00 0.00 C ATOM 1188 O LYS A 78 -7.607 3.676 5.031 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.484 2.906 5.887 1.00 0.00 C ATOM 1190 CG LYS A 78 -11.981 2.653 5.850 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.766 3.953 5.804 1.00 0.00 C ATOM 1192 CE LYS A 78 -12.658 4.622 4.442 1.00 0.00 C ATOM 1193 NZ LYS A 78 -13.718 5.649 4.244 1.00 0.00 N ATOM 0 H LYS A 78 -8.790 1.168 4.801 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.578 3.290 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.006 2.120 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.296 3.847 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.227 2.048 4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.276 2.080 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.814 3.755 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.396 4.630 6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.678 5.088 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.733 3.867 3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.611 6.082 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.654 5.200 4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.631 6.383 4.976 1.00 0.00 H new ATOM 1207 N VAL A 79 -8.918 5.128 3.918 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.899 6.169 3.857 1.00 0.00 C ATOM 1209 C VAL A 79 -8.194 7.285 4.853 1.00 0.00 C ATOM 1210 O VAL A 79 -8.941 8.216 4.554 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.798 6.772 2.443 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.775 7.898 2.414 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.445 5.695 1.429 1.00 0.00 C ATOM 0 H VAL A 79 -9.803 5.378 3.478 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.949 5.699 4.113 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.769 7.188 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.718 8.312 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.075 8.680 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.798 7.510 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.378 6.139 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.487 5.248 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.217 4.926 1.431 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.600 7.184 6.038 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.800 8.186 7.079 1.00 0.00 C ATOM 1225 C GLU A 80 -6.969 9.435 6.799 1.00 0.00 C ATOM 1226 O GLU A 80 -7.389 10.552 7.098 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.430 7.611 8.448 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.279 6.419 8.857 1.00 0.00 C ATOM 1229 CD GLU A 80 -7.552 5.483 9.803 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -6.303 5.494 9.805 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -8.232 4.740 10.542 1.00 0.00 O ATOM 0 H GLU A 80 -6.977 6.420 6.301 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.854 8.465 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.382 7.313 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.530 8.393 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.192 6.775 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.579 5.868 7.966 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.788 9.236 6.222 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.916 10.354 5.911 1.00 0.00 C ATOM 1240 C GLY A 81 -4.046 10.091 4.699 1.00 0.00 C ATOM 1241 O GLY A 81 -4.423 9.330 3.808 1.00 0.00 O ATOM 0 H GLY A 81 -5.419 8.321 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.520 11.244 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.281 10.566 6.771 1.00 0.00 H new ATOM 1245 N PHE A 82 -2.878 10.724 4.663 1.00 0.00 N ATOM 1246 CA PHE A 82 -1.952 10.557 3.549 1.00 0.00 C ATOM 1247 C PHE A 82 -0.520 10.861 3.981 1.00 0.00 C ATOM 1248 O PHE A 82 -0.265 11.759 4.783 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.350 11.467 2.385 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.726 11.190 1.851 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.833 11.830 2.384 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -3.912 10.289 0.815 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.101 11.577 1.894 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.177 10.032 0.321 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.273 10.676 0.862 1.00 0.00 C ATOM 0 H PHE A 82 -2.550 11.357 5.392 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.001 9.518 3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.298 12.505 2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.626 11.350 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.704 12.535 3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.059 9.782 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.956 12.083 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.309 9.328 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.262 10.475 0.478 1.00 0.00 H new ATOM 1265 N PRO A 83 0.437 10.095 3.436 1.00 0.00 N ATOM 1266 CA PRO A 83 0.145 9.023 2.480 1.00 0.00 C ATOM 1267 C PRO A 83 -0.566 7.842 3.133 1.00 0.00 C ATOM 1268 O PRO A 83 -0.868 7.868 4.326 1.00 0.00 O ATOM 1269 CB PRO A 83 1.530 8.604 1.983 1.00 0.00 C ATOM 1270 CG PRO A 83 2.459 8.979 3.086 1.00 0.00 C ATOM 1271 CD PRO A 83 1.878 10.216 3.713 1.00 0.00 C ATOM 0 HA PRO A 83 -0.525 9.355 1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.570 7.534 1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.789 9.116 1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.543 8.174 3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.462 9.169 2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.079 10.256 4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.296 11.123 3.276 1.00 0.00 H new ATOM 1279 N THR A 84 -0.830 6.806 2.343 1.00 0.00 N ATOM 1280 CA THR A 84 -1.506 5.616 2.843 1.00 0.00 C ATOM 1281 C THR A 84 -1.188 4.400 1.981 1.00 0.00 C ATOM 1282 O THR A 84 -1.706 4.261 0.872 1.00 0.00 O ATOM 1283 CB THR A 84 -3.033 5.814 2.889 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.348 7.038 3.563 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.708 4.650 3.598 1.00 0.00 C ATOM 0 H THR A 84 -0.586 6.767 1.353 1.00 0.00 H new ATOM 0 HA THR A 84 -1.139 5.446 3.855 1.00 0.00 H new ATOM 0 HB THR A 84 -3.403 5.858 1.865 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.669 7.697 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.786 4.812 3.618 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.490 3.724 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.333 4.579 4.619 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.336 3.521 2.497 1.00 0.00 N ATOM 1294 CA ILE A 85 0.049 2.315 1.774 1.00 0.00 C ATOM 1295 C ILE A 85 -0.770 1.114 2.234 1.00 0.00 C ATOM 1296 O ILE A 85 -1.084 0.980 3.417 1.00 0.00 O ATOM 1297 CB ILE A 85 1.546 2.002 1.956 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.396 3.195 1.513 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.926 0.755 1.173 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.711 3.308 2.253 1.00 0.00 C ATOM 0 H ILE A 85 0.101 3.621 3.413 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.148 2.504 0.719 1.00 0.00 H new ATOM 0 HB ILE A 85 1.737 1.816 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.596 3.112 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.825 4.112 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.987 0.547 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.341 -0.092 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.723 0.914 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.261 4.175 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.519 3.423 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.301 2.407 2.085 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.110 0.241 1.292 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.892 -0.950 1.600 1.00 0.00 C ATOM 1314 C TYR A 86 -1.447 -2.131 0.743 1.00 0.00 C ATOM 1315 O TYR A 86 -1.403 -2.041 -0.484 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.381 -0.679 1.381 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.086 -0.142 2.606 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.380 -0.971 3.682 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.459 1.194 2.688 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.024 -0.485 4.803 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.102 1.689 3.806 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.382 0.846 4.861 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.024 1.334 5.976 1.00 0.00 O ATOM 0 H TYR A 86 -0.856 0.336 0.309 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.726 -1.202 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.496 0.034 0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.868 -1.603 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.100 -2.013 3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.242 1.857 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.246 -1.143 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.384 2.730 3.854 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.574 2.105 5.725 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.119 -3.239 1.399 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.677 -4.440 0.698 1.00 0.00 C ATOM 1335 C PHE A 87 -1.848 -5.385 0.447 1.00 0.00 C ATOM 1336 O PHE A 87 -2.472 -5.881 1.385 1.00 0.00 O ATOM 1337 CB PHE A 87 0.408 -5.157 1.505 1.00 0.00 C ATOM 1338 CG PHE A 87 1.138 -6.210 0.723 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.602 -7.479 0.576 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.362 -5.932 0.136 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.272 -8.451 -0.143 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.036 -6.899 -0.585 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.491 -8.161 -0.723 1.00 0.00 C ATOM 0 H PHE A 87 -1.151 -3.331 2.414 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.264 -4.138 -0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.126 -4.421 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.047 -5.617 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.351 -7.712 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.794 -4.948 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.843 -9.436 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.988 -6.669 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.017 -8.919 -1.284 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.141 -5.630 -0.826 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.236 -6.516 -1.201 1.00 0.00 C ATOM 1355 C ALA A 88 -2.710 -7.868 -1.672 1.00 0.00 C ATOM 1356 O ALA A 88 -2.391 -8.063 -2.845 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.088 -5.872 -2.285 1.00 0.00 C ATOM 0 H ALA A 88 -1.635 -5.227 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.855 -6.683 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.902 -6.545 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.501 -4.934 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.473 -5.676 -3.163 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.617 -8.825 -0.737 1.00 0.00 N ATOM 1364 CA PRO A 89 -2.130 -10.176 -1.033 1.00 0.00 C ATOM 1365 C PRO A 89 -3.111 -10.971 -1.889 1.00 0.00 C ATOM 1366 O PRO A 89 -4.227 -11.264 -1.461 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.991 -10.814 0.351 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.954 -10.070 1.210 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.980 -8.663 0.681 1.00 0.00 C ATOM 0 HA PRO A 89 -1.202 -10.159 -1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.227 -11.878 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.972 -10.723 0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.945 -10.522 1.166 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.641 -10.089 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.965 -8.209 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.271 -8.023 1.207 1.00 0.00 H new ATOM 1377 N SER A 90 -2.686 -11.317 -3.100 1.00 0.00 N ATOM 1378 CA SER A 90 -3.528 -12.075 -4.018 1.00 0.00 C ATOM 1379 C SER A 90 -4.059 -13.339 -3.349 1.00 0.00 C ATOM 1380 O SER A 90 -3.314 -14.290 -3.114 1.00 0.00 O ATOM 1381 CB SER A 90 -2.743 -12.442 -5.279 1.00 0.00 C ATOM 1382 OG SER A 90 -3.178 -13.683 -5.807 1.00 0.00 O ATOM 0 H SER A 90 -1.764 -11.084 -3.468 1.00 0.00 H new ATOM 0 HA SER A 90 -4.376 -11.449 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.867 -11.661 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.679 -12.495 -5.047 1.00 0.00 H new ATOM 0 HG SER A 90 -2.431 -14.124 -6.263 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.353 -13.342 -3.046 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.963 -14.494 -2.407 1.00 0.00 C ATOM 1390 C GLY A 91 -6.558 -14.159 -1.053 1.00 0.00 C ATOM 1391 O GLY A 91 -7.669 -14.582 -0.734 1.00 0.00 O ATOM 0 H GLY A 91 -5.990 -12.567 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.743 -14.894 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.215 -15.278 -2.288 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.816 -13.398 -0.255 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.276 -13.007 1.072 1.00 0.00 C ATOM 1397 C ASP A 92 -6.317 -11.488 1.207 1.00 0.00 C ATOM 1398 O ASP A 92 -6.045 -10.942 2.277 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.365 -13.603 2.147 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.295 -15.116 2.072 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -6.347 -15.748 1.843 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -4.187 -15.667 2.245 1.00 0.00 O ATOM 0 H ASP A 92 -4.894 -13.040 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.286 -13.393 1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.362 -13.190 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.728 -13.307 3.131 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.658 -10.811 0.116 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.735 -9.355 0.111 1.00 0.00 C ATOM 1409 C LYS A 93 -7.733 -8.860 1.154 1.00 0.00 C ATOM 1410 O LYS A 93 -7.520 -7.827 1.790 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.138 -8.850 -1.276 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.234 -9.347 -2.390 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.255 -8.409 -3.585 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.654 -9.064 -4.819 1.00 0.00 C ATOM 1415 NZ LYS A 93 -6.505 -10.176 -5.327 1.00 0.00 N ATOM 0 H LYS A 93 -6.886 -11.248 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.749 -8.963 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.162 -9.162 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.131 -7.760 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.214 -9.441 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.552 -10.342 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.282 -8.109 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.700 -7.502 -3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.528 -8.316 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.661 -9.446 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.926 -11.033 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.272 -10.363 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.912 -9.910 -6.246 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.820 -9.603 1.326 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.850 -9.242 2.293 1.00 0.00 C ATOM 1431 C LYS A 94 -9.237 -8.549 3.506 1.00 0.00 C ATOM 1432 O LYS A 94 -9.833 -7.638 4.078 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.620 -10.487 2.739 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.419 -11.140 1.624 1.00 0.00 C ATOM 1435 CD LYS A 94 -12.847 -10.622 1.584 1.00 0.00 C ATOM 1436 CE LYS A 94 -12.989 -9.452 0.623 1.00 0.00 C ATOM 1437 NZ LYS A 94 -12.719 -9.856 -0.785 1.00 0.00 N ATOM 0 H LYS A 94 -9.011 -10.460 0.808 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.540 -8.550 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.916 -11.214 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.297 -10.215 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.934 -10.947 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.427 -12.221 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.518 -11.426 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.151 -10.312 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.996 -9.042 0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.300 -8.659 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.225 -9.218 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.697 -9.801 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.046 -10.832 -0.935 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.043 -8.987 3.891 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.349 -8.407 5.036 1.00 0.00 C ATOM 1453 C ASN A 95 -6.197 -7.517 4.580 1.00 0.00 C ATOM 1454 O ASN A 95 -5.072 -7.972 4.374 1.00 0.00 O ATOM 1455 CB ASN A 95 -6.823 -9.513 5.953 1.00 0.00 C ATOM 1456 CG ASN A 95 -7.900 -10.072 6.862 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -8.125 -9.565 7.961 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.571 -11.123 6.406 1.00 0.00 N ATOM 0 H ASN A 95 -7.536 -9.741 3.428 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.061 -7.794 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.410 -10.319 5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.007 -9.120 6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.307 -11.543 6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.350 -11.510 5.488 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.482 -6.216 4.420 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.483 -5.234 3.988 1.00 0.00 C ATOM 1467 C PRO A 96 -4.429 -4.971 5.058 1.00 0.00 C ATOM 1468 O PRO A 96 -4.755 -4.776 6.229 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.312 -3.973 3.733 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.514 -4.128 4.599 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.802 -5.604 4.647 1.00 0.00 C ATOM 0 HA PRO A 96 -4.925 -5.577 3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.753 -3.073 3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.589 -3.887 2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.329 -3.734 5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.362 -3.578 4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.223 -5.900 5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.519 -5.899 3.881 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.165 -4.968 4.648 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.063 -4.728 5.572 1.00 0.00 C ATOM 1481 C ILE A 97 -1.528 -3.307 5.432 1.00 0.00 C ATOM 1482 O ILE A 97 -0.763 -3.007 4.515 1.00 0.00 O ATOM 1483 CB ILE A 97 -0.910 -5.723 5.344 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.446 -7.155 5.294 1.00 0.00 C ATOM 1485 CG2 ILE A 97 0.136 -5.582 6.440 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.640 -8.071 4.400 1.00 0.00 C ATOM 0 H ILE A 97 -2.879 -5.129 3.682 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.459 -4.868 6.578 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.439 -5.497 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.459 -7.565 6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.478 -7.136 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.944 -6.292 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.536 -4.568 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.322 -5.785 7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.077 -9.069 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.648 -7.684 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.387 -8.120 4.761 1.00 0.00 H new ATOM 1498 N LYS A 98 -1.934 -2.435 6.348 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.494 -1.045 6.330 1.00 0.00 C ATOM 1500 C LYS A 98 -0.127 -0.898 6.990 1.00 0.00 C ATOM 1501 O LYS A 98 0.086 -1.366 8.109 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.515 -0.156 7.044 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.097 1.302 7.131 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.301 2.228 7.137 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.915 3.642 7.544 1.00 0.00 C ATOM 1506 NZ LYS A 98 -3.972 4.629 7.190 1.00 0.00 N ATOM 0 H LYS A 98 -2.568 -2.666 7.113 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.411 -0.730 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.469 -0.221 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.677 -0.540 8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.511 1.460 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.452 1.548 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.754 2.244 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.054 1.843 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.733 3.674 8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.981 3.919 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.529 5.528 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.537 4.263 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.590 4.786 8.012 1.00 0.00 H new ATOM 1520 N PHE A 99 0.795 -0.245 6.292 1.00 0.00 N ATOM 1521 CA PHE A 99 2.142 -0.036 6.811 1.00 0.00 C ATOM 1522 C PHE A 99 2.111 0.823 8.072 1.00 0.00 C ATOM 1523 O PHE A 99 1.875 2.028 8.009 1.00 0.00 O ATOM 1524 CB PHE A 99 3.023 0.627 5.751 1.00 0.00 C ATOM 1525 CG PHE A 99 4.360 1.069 6.273 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.378 0.151 6.475 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.599 2.403 6.564 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.610 0.555 6.955 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.828 2.812 7.044 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.835 1.887 7.241 1.00 0.00 C ATOM 0 H PHE A 99 0.635 0.149 5.365 1.00 0.00 H new ATOM 0 HA PHE A 99 2.562 -1.009 7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.176 -0.072 4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.498 1.490 5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.207 -0.892 6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.815 3.131 6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.396 -0.171 7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.002 3.855 7.265 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.796 2.205 7.618 1.00 0.00 H new ATOM 1540 N GLU A 100 2.352 0.191 9.217 1.00 0.00 N ATOM 1541 CA GLU A 100 2.351 0.897 10.493 1.00 0.00 C ATOM 1542 C GLU A 100 3.774 1.088 11.010 1.00 0.00 C ATOM 1543 O GLU A 100 4.036 0.950 12.204 1.00 0.00 O ATOM 1544 CB GLU A 100 1.521 0.130 11.524 1.00 0.00 C ATOM 1545 CG GLU A 100 0.021 0.268 11.322 1.00 0.00 C ATOM 1546 CD GLU A 100 -0.770 -0.072 12.571 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -0.434 0.460 13.650 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.725 -0.870 12.468 1.00 0.00 O ATOM 0 H GLU A 100 2.550 -0.807 9.287 1.00 0.00 H new ATOM 0 HA GLU A 100 1.905 1.879 10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.789 -0.926 11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.779 0.484 12.522 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.208 1.289 11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.294 -0.385 10.508 1.00 0.00 H new ATOM 1583 N ARG A 104 8.474 6.024 7.340 1.00 0.00 N ATOM 1584 CA ARG A 104 7.900 5.714 6.036 1.00 0.00 C ATOM 1585 C ARG A 104 8.923 5.933 4.925 1.00 0.00 C ATOM 1586 O ARG A 104 8.676 6.680 3.979 1.00 0.00 O ATOM 1587 CB ARG A 104 6.662 6.576 5.782 1.00 0.00 C ATOM 1588 CG ARG A 104 5.718 5.994 4.743 1.00 0.00 C ATOM 1589 CD ARG A 104 4.353 6.664 4.794 1.00 0.00 C ATOM 1590 NE ARG A 104 3.676 6.432 6.067 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.793 5.459 6.263 1.00 0.00 C ATOM 1592 NH1 ARG A 104 2.482 4.632 5.274 1.00 0.00 N ATOM 1593 NH2 ARG A 104 2.219 5.312 7.451 1.00 0.00 N ATOM 0 HA ARG A 104 7.609 4.664 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.121 6.706 6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.980 7.567 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.148 6.117 3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.606 4.923 4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.469 7.736 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.734 6.287 3.980 1.00 0.00 H new ATOM 0 HE ARG A 104 3.893 7.051 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.921 4.742 4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.804 3.886 5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.456 5.946 8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.541 4.565 7.601 1.00 0.00 H new ATOM 1607 N ASP A 105 10.072 5.278 5.049 1.00 0.00 N ATOM 1608 CA ASP A 105 11.133 5.401 4.055 1.00 0.00 C ATOM 1609 C ASP A 105 11.291 4.105 3.266 1.00 0.00 C ATOM 1610 O ASP A 105 10.697 3.081 3.607 1.00 0.00 O ATOM 1611 CB ASP A 105 12.455 5.765 4.732 1.00 0.00 C ATOM 1612 CG ASP A 105 12.354 7.034 5.555 1.00 0.00 C ATOM 1613 OD1 ASP A 105 12.073 8.100 4.970 1.00 0.00 O ATOM 1614 OD2 ASP A 105 12.556 6.960 6.785 1.00 0.00 O ATOM 0 H ASP A 105 10.293 4.657 5.827 1.00 0.00 H new ATOM 0 HA ASP A 105 10.858 6.196 3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.769 4.943 5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.227 5.889 3.972 1.00 0.00 H new ATOM 1619 N LEU A 106 12.094 4.157 2.209 1.00 0.00 N ATOM 1620 CA LEU A 106 12.329 2.987 1.369 1.00 0.00 C ATOM 1621 C LEU A 106 13.026 1.882 2.157 1.00 0.00 C ATOM 1622 O LEU A 106 12.843 0.698 1.878 1.00 0.00 O ATOM 1623 CB LEU A 106 13.173 3.370 0.152 1.00 0.00 C ATOM 1624 CG LEU A 106 12.913 2.568 -1.124 1.00 0.00 C ATOM 1625 CD1 LEU A 106 13.549 3.252 -2.324 1.00 0.00 C ATOM 1626 CD2 LEU A 106 13.439 1.147 -0.977 1.00 0.00 C ATOM 0 H LEU A 106 12.593 4.996 1.913 1.00 0.00 H new ATOM 0 HA LEU A 106 11.363 2.613 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.004 4.425 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.225 3.263 0.416 1.00 0.00 H new ATOM 0 HG LEU A 106 11.836 2.521 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.353 2.667 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.125 4.249 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.625 3.331 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.245 0.591 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.512 1.174 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.936 0.657 -0.143 1.00 0.00 H new ATOM 1638 N GLU A 107 13.823 2.279 3.145 1.00 0.00 N ATOM 1639 CA GLU A 107 14.545 1.322 3.974 1.00 0.00 C ATOM 1640 C GLU A 107 13.577 0.472 4.793 1.00 0.00 C ATOM 1641 O GLU A 107 13.749 -0.742 4.914 1.00 0.00 O ATOM 1642 CB GLU A 107 15.515 2.051 4.906 1.00 0.00 C ATOM 1643 CG GLU A 107 16.690 1.196 5.351 1.00 0.00 C ATOM 1644 CD GLU A 107 17.374 0.497 4.192 1.00 0.00 C ATOM 1645 OE1 GLU A 107 16.961 -0.631 3.852 1.00 0.00 O ATOM 1646 OE2 GLU A 107 18.323 1.079 3.625 1.00 0.00 O ATOM 0 H GLU A 107 13.984 3.256 3.390 1.00 0.00 H new ATOM 0 HA GLU A 107 15.111 0.664 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.894 2.939 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 107 14.971 2.393 5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.414 1.823 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.342 0.450 6.066 1.00 0.00 H new ATOM 1653 N HIS A 108 12.560 1.118 5.353 1.00 0.00 N ATOM 1654 CA HIS A 108 11.564 0.423 6.160 1.00 0.00 C ATOM 1655 C HIS A 108 10.511 -0.237 5.275 1.00 0.00 C ATOM 1656 O HIS A 108 10.189 -1.414 5.447 1.00 0.00 O ATOM 1657 CB HIS A 108 10.894 1.395 7.131 1.00 0.00 C ATOM 1658 CG HIS A 108 11.594 1.503 8.450 1.00 0.00 C ATOM 1659 ND1 HIS A 108 10.935 1.756 9.634 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.905 1.389 8.769 1.00 0.00 C ATOM 1661 CE1 HIS A 108 11.809 1.795 10.624 1.00 0.00 C ATOM 1662 NE2 HIS A 108 13.012 1.575 10.125 1.00 0.00 N ATOM 0 H HIS A 108 12.404 2.122 5.263 1.00 0.00 H new ATOM 0 HA HIS A 108 12.073 -0.354 6.730 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.850 2.382 6.671 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.866 1.076 7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.716 1.189 8.084 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.579 1.976 11.664 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.880 1.548 10.660 1.00 0.00 H new ATOM 1671 N LEU A 109 9.978 0.527 4.328 1.00 0.00 N ATOM 1672 CA LEU A 109 8.961 0.017 3.415 1.00 0.00 C ATOM 1673 C LEU A 109 9.364 -1.344 2.857 1.00 0.00 C ATOM 1674 O LEU A 109 8.584 -2.296 2.893 1.00 0.00 O ATOM 1675 CB LEU A 109 8.735 1.004 2.269 1.00 0.00 C ATOM 1676 CG LEU A 109 8.029 2.310 2.637 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.121 3.307 1.493 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.576 2.046 3.003 1.00 0.00 C ATOM 0 H LEU A 109 10.233 1.502 4.172 1.00 0.00 H new ATOM 0 HA LEU A 109 8.032 -0.100 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.703 1.248 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.152 0.504 1.496 1.00 0.00 H new ATOM 0 HG LEU A 109 8.529 2.739 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.613 4.230 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.168 3.520 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.647 2.887 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.089 2.986 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.063 1.594 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.533 1.368 3.856 1.00 0.00 H new ATOM 1690 N SER A 110 10.587 -1.430 2.344 1.00 0.00 N ATOM 1691 CA SER A 110 11.093 -2.674 1.776 1.00 0.00 C ATOM 1692 C SER A 110 10.987 -3.813 2.785 1.00 0.00 C ATOM 1693 O SER A 110 10.529 -4.908 2.458 1.00 0.00 O ATOM 1694 CB SER A 110 12.547 -2.503 1.333 1.00 0.00 C ATOM 1695 OG SER A 110 13.364 -2.092 2.415 1.00 0.00 O ATOM 0 H SER A 110 11.246 -0.652 2.310 1.00 0.00 H new ATOM 0 HA SER A 110 10.484 -2.923 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.920 -3.444 0.928 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.602 -1.767 0.531 1.00 0.00 H new ATOM 0 HG SER A 110 13.356 -1.114 2.478 1.00 0.00 H new ATOM 1701 N LYS A 111 11.414 -3.548 4.015 1.00 0.00 N ATOM 1702 CA LYS A 111 11.367 -4.548 5.074 1.00 0.00 C ATOM 1703 C LYS A 111 9.929 -4.961 5.370 1.00 0.00 C ATOM 1704 O LYS A 111 9.686 -5.958 6.050 1.00 0.00 O ATOM 1705 CB LYS A 111 12.026 -4.006 6.345 1.00 0.00 C ATOM 1706 CG LYS A 111 13.487 -3.634 6.162 1.00 0.00 C ATOM 1707 CD LYS A 111 14.064 -3.006 7.420 1.00 0.00 C ATOM 1708 CE LYS A 111 14.451 -4.062 8.443 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.737 -4.727 8.094 1.00 0.00 N ATOM 0 H LYS A 111 11.797 -2.648 4.303 1.00 0.00 H new ATOM 0 HA LYS A 111 11.915 -5.427 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.476 -3.128 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.946 -4.755 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.060 -4.524 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.585 -2.938 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.939 -2.410 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.333 -2.326 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.536 -3.601 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.661 -4.810 8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.992 -5.404 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.633 -5.232 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.486 -4.010 8.006 1.00 0.00 H new ATOM 1723 N PHE A 112 8.979 -4.188 4.855 1.00 0.00 N ATOM 1724 CA PHE A 112 7.564 -4.474 5.064 1.00 0.00 C ATOM 1725 C PHE A 112 6.987 -5.254 3.886 1.00 0.00 C ATOM 1726 O PHE A 112 6.142 -6.132 4.063 1.00 0.00 O ATOM 1727 CB PHE A 112 6.783 -3.173 5.261 1.00 0.00 C ATOM 1728 CG PHE A 112 5.313 -3.309 4.985 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.835 -3.301 3.684 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.409 -3.445 6.026 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.483 -3.425 3.428 1.00 0.00 C ATOM 1732 CE2 PHE A 112 3.055 -3.570 5.776 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.592 -3.561 4.475 1.00 0.00 C ATOM 0 H PHE A 112 9.163 -3.359 4.290 1.00 0.00 H new ATOM 0 HA PHE A 112 7.471 -5.085 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.922 -2.827 6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.198 -2.407 4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.527 -3.197 2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.766 -3.453 7.045 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.123 -3.416 2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.361 -3.674 6.597 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.535 -3.660 4.276 1.00 0.00 H new ATOM 1743 N ILE A 113 7.449 -4.926 2.684 1.00 0.00 N ATOM 1744 CA ILE A 113 6.980 -5.595 1.477 1.00 0.00 C ATOM 1745 C ILE A 113 7.476 -7.035 1.419 1.00 0.00 C ATOM 1746 O ILE A 113 6.692 -7.966 1.231 1.00 0.00 O ATOM 1747 CB ILE A 113 7.439 -4.853 0.207 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.885 -3.428 0.194 1.00 0.00 C ATOM 1749 CG2 ILE A 113 6.999 -5.611 -1.037 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.620 -2.502 -0.750 1.00 0.00 C ATOM 0 H ILE A 113 8.148 -4.201 2.520 1.00 0.00 H new ATOM 0 HA ILE A 113 5.891 -5.590 1.516 1.00 0.00 H new ATOM 0 HB ILE A 113 8.528 -4.798 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.832 -3.459 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.934 -3.019 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.330 -5.075 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.439 -6.608 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.912 -5.694 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.173 -1.509 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.668 -2.441 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.549 -2.888 -1.767 1.00 0.00 H new ATOM 1762 N ASP A 114 8.782 -7.212 1.583 1.00 0.00 N ATOM 1763 CA ASP A 114 9.384 -8.540 1.552 1.00 0.00 C ATOM 1764 C ASP A 114 8.780 -9.436 2.630 1.00 0.00 C ATOM 1765 O ASP A 114 8.234 -10.498 2.333 1.00 0.00 O ATOM 1766 CB ASP A 114 10.898 -8.442 1.743 1.00 0.00 C ATOM 1767 CG ASP A 114 11.633 -8.222 0.435 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.155 -8.720 -0.606 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.686 -7.551 0.452 1.00 0.00 O ATOM 0 H ASP A 114 9.445 -6.452 1.739 1.00 0.00 H new ATOM 0 HA ASP A 114 9.176 -8.983 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.123 -7.622 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.262 -9.356 2.212 1.00 0.00 H new ATOM 1774 N GLU A 115 8.883 -8.999 3.881 1.00 0.00 N ATOM 1775 CA GLU A 115 8.348 -9.762 5.003 1.00 0.00 C ATOM 1776 C GLU A 115 6.988 -10.360 4.655 1.00 0.00 C ATOM 1777 O GLU A 115 6.788 -11.571 4.747 1.00 0.00 O ATOM 1778 CB GLU A 115 8.225 -8.872 6.241 1.00 0.00 C ATOM 1779 CG GLU A 115 9.511 -8.763 7.043 1.00 0.00 C ATOM 1780 CD GLU A 115 10.035 -10.113 7.492 1.00 0.00 C ATOM 1781 OE1 GLU A 115 9.277 -10.852 8.156 1.00 0.00 O ATOM 1782 OE2 GLU A 115 11.202 -10.432 7.181 1.00 0.00 O ATOM 0 H GLU A 115 9.332 -8.121 4.143 1.00 0.00 H new ATOM 0 HA GLU A 115 9.039 -10.577 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.914 -7.874 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.438 -9.266 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.270 -8.265 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.337 -8.136 7.917 1.00 0.00 H new ATOM 1789 N HIS A 116 6.055 -9.501 4.255 1.00 0.00 N ATOM 1790 CA HIS A 116 4.713 -9.943 3.893 1.00 0.00 C ATOM 1791 C HIS A 116 4.727 -10.687 2.562 1.00 0.00 C ATOM 1792 O HIS A 116 3.927 -11.595 2.339 1.00 0.00 O ATOM 1793 CB HIS A 116 3.764 -8.747 3.813 1.00 0.00 C ATOM 1794 CG HIS A 116 3.465 -8.128 5.144 1.00 0.00 C ATOM 1795 ND1 HIS A 116 3.215 -8.695 6.347 1.00 0.00 N flip ATOM 1796 CD2 HIS A 116 3.397 -6.765 5.342 1.00 0.00 C flip ATOM 1797 CE1 HIS A 116 3.003 -7.675 7.242 1.00 0.00 C flip ATOM 1798 NE2 HIS A 116 3.119 -6.521 6.610 1.00 0.00 N flip ATOM 0 H HIS A 116 6.204 -8.495 4.174 1.00 0.00 H new ATOM 0 HA HIS A 116 4.361 -10.625 4.666 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.200 -7.991 3.160 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.829 -9.066 3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.547 -6.015 4.580 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.778 -7.797 8.291 1.00 0.00 H new ATOM 0 HE2 HIS A 116 3.012 -5.598 7.030 1.00 0.00 H new