USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 46 MET CE :methyl -135:sc= 0 (180deg=-1.4) USER MOD Single : A 57 THR OG1 : rot -101:sc= 1.17 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00506 X(o=-0.0051,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -145:sc= 1.42 (180deg=1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0045 (180deg=-0.175) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -135:sc=-0.00713 (180deg=-1.85!) USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= 1.03 (180deg=-0.135) USER MOD Single : A 91 MET CE :methyl 170:sc= -1.77 (180deg=-2.07) USER MOD Single : A 96 ASN :FLIP amide:sc=-0.000218 F(o=-0.79,f=-0.00022) USER MOD Single : B 46 MET CE :methyl -135:sc= 0 (180deg=-1.59) USER MOD Single : B 57 THR OG1 : rot -76:sc= 1.19 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ -147:sc= 1.47 (180deg=1.09) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 LYS NZ :NH3+ -167:sc= -0.0163 (180deg=-0.184) USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 LYS NZ :NH3+ -136:sc= -0.0107 (180deg=-1.89!) USER MOD Single : B 86 LYS NZ :NH3+ -154:sc= 1.11 (180deg=0.0176) USER MOD Single : B 91 MET CE :methyl 167:sc= -2.03 (180deg=-2.36) USER MOD Single : B 96 ASN :FLIP amide:sc=-0.00894 F(o=-0.8,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 -11.137 9.578 -6.302 1.00 0.00 N ATOM 101 CA GLY A 42 -10.363 8.514 -6.901 1.00 0.00 C ATOM 102 C GLY A 42 -11.123 7.207 -6.930 1.00 0.00 C ATOM 103 O GLY A 42 -11.995 6.981 -6.088 1.00 0.00 O ATOM 0 HA2 GLY A 42 -10.086 8.795 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.436 8.382 -6.343 1.00 0.00 H new ATOM 107 N PRO A 43 -10.821 6.331 -7.901 1.00 0.00 N ATOM 108 CA PRO A 43 -11.458 5.016 -8.008 1.00 0.00 C ATOM 109 C PRO A 43 -11.139 4.139 -6.805 1.00 0.00 C ATOM 110 O PRO A 43 -10.140 4.342 -6.115 1.00 0.00 O ATOM 111 CB PRO A 43 -10.854 4.420 -9.286 1.00 0.00 C ATOM 112 CG PRO A 43 -9.592 5.177 -9.509 1.00 0.00 C ATOM 113 CD PRO A 43 -9.838 6.556 -8.973 1.00 0.00 C ATOM 0 HA PRO A 43 -12.545 5.086 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.659 3.354 -9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.534 4.529 -10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.756 4.702 -8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.338 5.210 -10.569 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.923 7.009 -8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.227 7.223 -9.742 1.00 0.00 H new ATOM 121 N ILE A 44 -12.008 3.158 -6.575 1.00 0.00 N ATOM 122 CA ILE A 44 -11.984 2.344 -5.362 1.00 0.00 C ATOM 123 C ILE A 44 -10.655 1.622 -5.145 1.00 0.00 C ATOM 124 O ILE A 44 -10.287 1.335 -4.004 1.00 0.00 O ATOM 125 CB ILE A 44 -13.148 1.333 -5.347 1.00 0.00 C ATOM 126 CG1 ILE A 44 -13.189 0.529 -6.649 1.00 0.00 C ATOM 127 CG2 ILE A 44 -14.466 2.061 -5.122 1.00 0.00 C ATOM 128 CD1 ILE A 44 -14.369 -0.412 -6.748 1.00 0.00 C ATOM 0 H ILE A 44 -12.751 2.904 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.104 3.042 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.990 0.632 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.216 1.220 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.268 -0.047 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.283 1.340 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.434 2.585 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.626 2.780 -5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.330 -0.946 -7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.333 -1.128 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.296 0.159 -6.691 1.00 0.00 H new ATOM 140 N ARG A 45 -9.932 1.336 -6.225 1.00 0.00 N ATOM 141 CA ARG A 45 -8.594 0.764 -6.102 1.00 0.00 C ATOM 142 C ARG A 45 -7.649 1.759 -5.438 1.00 0.00 C ATOM 143 O ARG A 45 -6.889 1.410 -4.536 1.00 0.00 O ATOM 144 CB ARG A 45 -8.044 0.330 -7.465 1.00 0.00 C ATOM 145 CG ARG A 45 -8.087 1.399 -8.548 1.00 0.00 C ATOM 146 CD ARG A 45 -7.741 0.807 -9.906 1.00 0.00 C ATOM 147 NE ARG A 45 -7.869 1.778 -10.992 1.00 0.00 N ATOM 148 CZ ARG A 45 -8.607 1.578 -12.086 1.00 0.00 C ATOM 149 NH1 ARG A 45 -9.308 0.458 -12.228 1.00 0.00 N ATOM 150 NH2 ARG A 45 -8.643 2.498 -13.041 1.00 0.00 N ATOM 0 H ARG A 45 -10.245 1.489 -7.184 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.667 -0.124 -5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.011 0.006 -7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.609 -0.536 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.080 1.847 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.386 2.197 -8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.720 0.426 -9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.394 -0.043 -10.105 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.364 2.660 -10.908 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.284 -0.255 -11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.870 0.311 -13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.106 3.359 -12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.207 2.344 -13.877 1.00 0.00 H new ATOM 164 N MET A 46 -7.721 3.005 -5.883 1.00 0.00 N ATOM 165 CA MET A 46 -6.935 4.081 -5.292 1.00 0.00 C ATOM 166 C MET A 46 -7.383 4.354 -3.864 1.00 0.00 C ATOM 167 O MET A 46 -6.579 4.750 -3.029 1.00 0.00 O ATOM 168 CB MET A 46 -7.043 5.362 -6.120 1.00 0.00 C ATOM 169 CG MET A 46 -6.262 5.320 -7.421 1.00 0.00 C ATOM 170 SD MET A 46 -6.427 6.842 -8.373 1.00 0.00 S ATOM 171 CE MET A 46 -5.401 6.461 -9.790 1.00 0.00 C ATOM 0 H MET A 46 -8.319 3.298 -6.656 1.00 0.00 H new ATOM 0 HA MET A 46 -5.893 3.760 -5.282 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.093 5.551 -6.344 1.00 0.00 H new ATOM 0 HB3 MET A 46 -6.688 6.201 -5.521 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.209 5.143 -7.203 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.608 4.479 -8.022 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.762 7.314 -10.016 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.781 5.592 -9.568 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.034 6.244 -10.650 1.00 0.00 H new ATOM 181 N VAL A 47 -8.666 4.140 -3.588 1.00 0.00 N ATOM 182 CA VAL A 47 -9.195 4.313 -2.239 1.00 0.00 C ATOM 183 C VAL A 47 -8.446 3.420 -1.255 1.00 0.00 C ATOM 184 O VAL A 47 -7.975 3.883 -0.216 1.00 0.00 O ATOM 185 CB VAL A 47 -10.708 4.004 -2.169 1.00 0.00 C ATOM 186 CG1 VAL A 47 -11.226 4.143 -0.743 1.00 0.00 C ATOM 187 CG2 VAL A 47 -11.482 4.918 -3.108 1.00 0.00 C ATOM 0 H VAL A 47 -9.357 3.847 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.050 5.359 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.859 2.972 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.293 3.921 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.696 3.446 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.060 5.162 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.545 4.687 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.319 5.957 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.137 4.766 -4.131 1.00 0.00 H new ATOM 197 N LEU A 48 -8.315 2.143 -1.600 1.00 0.00 N ATOM 198 CA LEU A 48 -7.577 1.202 -0.762 1.00 0.00 C ATOM 199 C LEU A 48 -6.087 1.540 -0.739 1.00 0.00 C ATOM 200 O LEU A 48 -5.406 1.301 0.260 1.00 0.00 O ATOM 201 CB LEU A 48 -7.791 -0.244 -1.231 1.00 0.00 C ATOM 202 CG LEU A 48 -9.041 -0.941 -0.672 1.00 0.00 C ATOM 203 CD1 LEU A 48 -10.311 -0.231 -1.110 1.00 0.00 C ATOM 204 CD2 LEU A 48 -9.075 -2.398 -1.104 1.00 0.00 C ATOM 0 H LEU A 48 -8.708 1.737 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.965 1.292 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.849 -0.250 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.915 -0.831 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.989 -0.897 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.178 -0.748 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.296 0.797 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.371 -0.232 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.967 -2.877 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.095 -2.454 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.188 -2.909 -0.730 1.00 0.00 H new ATOM 216 N ALA A 49 -5.589 2.106 -1.834 1.00 0.00 N ATOM 217 CA ALA A 49 -4.197 2.539 -1.909 1.00 0.00 C ATOM 218 C ALA A 49 -3.928 3.675 -0.927 1.00 0.00 C ATOM 219 O ALA A 49 -2.960 3.636 -0.168 1.00 0.00 O ATOM 220 CB ALA A 49 -3.848 2.965 -3.325 1.00 0.00 C ATOM 0 H ALA A 49 -6.129 2.276 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.563 1.696 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.807 3.285 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.994 2.125 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.492 3.791 -3.626 1.00 0.00 H new ATOM 226 N ILE A 50 -4.800 4.680 -0.940 1.00 0.00 N ATOM 227 CA ILE A 50 -4.681 5.811 -0.026 1.00 0.00 C ATOM 228 C ILE A 50 -4.909 5.347 1.409 1.00 0.00 C ATOM 229 O ILE A 50 -4.273 5.836 2.344 1.00 0.00 O ATOM 230 CB ILE A 50 -5.691 6.933 -0.368 1.00 0.00 C ATOM 231 CG1 ILE A 50 -5.570 7.335 -1.842 1.00 0.00 C ATOM 232 CG2 ILE A 50 -5.464 8.143 0.530 1.00 0.00 C ATOM 233 CD1 ILE A 50 -6.580 8.376 -2.279 1.00 0.00 C ATOM 0 H ILE A 50 -5.597 4.733 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.674 6.215 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.698 6.554 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.566 7.719 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.688 6.446 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.182 8.923 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.596 7.852 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.452 8.520 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.430 8.608 -3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.588 7.989 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.449 9.281 -1.686 1.00 0.00 H new ATOM 245 N LEU A 51 -5.817 4.391 1.567 1.00 0.00 N ATOM 246 CA LEU A 51 -6.105 3.802 2.866 1.00 0.00 C ATOM 247 C LEU A 51 -4.852 3.169 3.461 1.00 0.00 C ATOM 248 O LEU A 51 -4.464 3.478 4.589 1.00 0.00 O ATOM 249 CB LEU A 51 -7.191 2.738 2.731 1.00 0.00 C ATOM 250 CG LEU A 51 -7.610 2.077 4.041 1.00 0.00 C ATOM 251 CD1 LEU A 51 -8.635 2.933 4.770 1.00 0.00 C ATOM 252 CD2 LEU A 51 -8.145 0.682 3.780 1.00 0.00 C ATOM 0 H LEU A 51 -6.371 4.005 0.802 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.451 4.595 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.070 3.193 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.839 1.965 2.047 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.734 1.988 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.921 2.444 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.203 3.909 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.516 3.060 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.440 0.223 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.010 0.742 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.370 0.077 3.309 1.00 0.00 H new ATOM 264 N ALA A 52 -4.229 2.276 2.693 1.00 0.00 N ATOM 265 CA ALA A 52 -3.008 1.612 3.128 1.00 0.00 C ATOM 266 C ALA A 52 -1.919 2.636 3.391 1.00 0.00 C ATOM 267 O ALA A 52 -1.209 2.556 4.391 1.00 0.00 O ATOM 268 CB ALA A 52 -2.545 0.606 2.088 1.00 0.00 C ATOM 0 H ALA A 52 -4.553 1.998 1.767 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.218 1.077 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.632 0.121 2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.320 -0.145 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.350 1.119 1.146 1.00 0.00 H new ATOM 274 N PHE A 53 -1.808 3.597 2.484 1.00 0.00 N ATOM 275 CA PHE A 53 -0.883 4.710 2.629 1.00 0.00 C ATOM 276 C PHE A 53 -1.009 5.339 4.010 1.00 0.00 C ATOM 277 O PHE A 53 -0.085 5.277 4.814 1.00 0.00 O ATOM 278 CB PHE A 53 -1.175 5.746 1.540 1.00 0.00 C ATOM 279 CG PHE A 53 -0.470 7.065 1.705 1.00 0.00 C ATOM 280 CD1 PHE A 53 -1.202 8.226 1.890 1.00 0.00 C ATOM 281 CD2 PHE A 53 0.911 7.149 1.661 1.00 0.00 C ATOM 282 CE1 PHE A 53 -0.571 9.446 2.027 1.00 0.00 C ATOM 283 CE2 PHE A 53 1.547 8.368 1.799 1.00 0.00 C ATOM 284 CZ PHE A 53 0.805 9.517 1.982 1.00 0.00 C ATOM 0 H PHE A 53 -2.358 3.626 1.626 1.00 0.00 H new ATOM 0 HA PHE A 53 0.139 4.346 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.898 5.323 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.249 5.927 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.280 8.176 1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.497 6.253 1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.154 10.344 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.625 8.421 1.764 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.301 10.470 2.090 1.00 0.00 H new ATOM 294 N LEU A 54 -2.171 5.907 4.286 1.00 0.00 N ATOM 295 CA LEU A 54 -2.417 6.603 5.541 1.00 0.00 C ATOM 296 C LEU A 54 -2.218 5.682 6.743 1.00 0.00 C ATOM 297 O LEU A 54 -1.606 6.072 7.732 1.00 0.00 O ATOM 298 CB LEU A 54 -3.828 7.199 5.538 1.00 0.00 C ATOM 299 CG LEU A 54 -4.071 8.258 4.455 1.00 0.00 C ATOM 300 CD1 LEU A 54 -5.535 8.658 4.403 1.00 0.00 C ATOM 301 CD2 LEU A 54 -3.200 9.482 4.701 1.00 0.00 C ATOM 0 H LEU A 54 -2.969 5.900 3.650 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.691 7.411 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.549 6.392 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.022 7.645 6.514 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.801 7.823 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.679 9.410 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.144 7.782 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.834 9.070 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.385 10.223 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.440 9.910 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.150 9.191 4.682 1.00 0.00 H new ATOM 313 N ARG A 55 -2.703 4.454 6.646 1.00 0.00 N ATOM 314 CA ARG A 55 -2.599 3.508 7.751 1.00 0.00 C ATOM 315 C ARG A 55 -1.154 3.126 8.048 1.00 0.00 C ATOM 316 O ARG A 55 -0.713 3.193 9.196 1.00 0.00 O ATOM 317 CB ARG A 55 -3.429 2.260 7.466 1.00 0.00 C ATOM 318 CG ARG A 55 -4.886 2.417 7.854 1.00 0.00 C ATOM 319 CD ARG A 55 -5.031 2.576 9.360 1.00 0.00 C ATOM 320 NE ARG A 55 -6.426 2.639 9.789 1.00 0.00 N ATOM 321 CZ ARG A 55 -6.807 2.630 11.068 1.00 0.00 C ATOM 322 NH1 ARG A 55 -5.901 2.562 12.036 1.00 0.00 N ATOM 323 NH2 ARG A 55 -8.093 2.685 11.378 1.00 0.00 N ATOM 0 H ARG A 55 -3.171 4.088 5.817 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.993 4.005 8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.365 2.022 6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.003 1.416 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.309 3.286 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.452 1.547 7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.539 1.740 9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.517 3.483 9.677 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.149 2.693 9.071 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.909 2.516 11.804 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.197 2.555 13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.794 2.734 10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.383 2.678 12.356 1.00 0.00 H new ATOM 337 N PHE A 56 -0.409 2.748 7.021 1.00 0.00 N ATOM 338 CA PHE A 56 0.968 2.317 7.212 1.00 0.00 C ATOM 339 C PHE A 56 1.893 3.507 7.440 1.00 0.00 C ATOM 340 O PHE A 56 3.072 3.337 7.754 1.00 0.00 O ATOM 341 CB PHE A 56 1.448 1.478 6.027 1.00 0.00 C ATOM 342 CG PHE A 56 0.845 0.101 5.993 1.00 0.00 C ATOM 343 CD1 PHE A 56 -0.327 -0.144 5.297 1.00 0.00 C ATOM 344 CD2 PHE A 56 1.452 -0.947 6.665 1.00 0.00 C ATOM 345 CE1 PHE A 56 -0.882 -1.407 5.270 1.00 0.00 C ATOM 346 CE2 PHE A 56 0.901 -2.213 6.641 1.00 0.00 C ATOM 347 CZ PHE A 56 -0.268 -2.443 5.943 1.00 0.00 C ATOM 0 H PHE A 56 -0.731 2.731 6.053 1.00 0.00 H new ATOM 0 HA PHE A 56 0.998 1.693 8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.204 1.997 5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.534 1.391 6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.812 0.663 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.366 -0.772 7.213 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.796 -1.584 4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.384 -3.023 7.168 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.701 -3.432 5.924 1.00 0.00 H new ATOM 357 N THR A 57 1.360 4.710 7.288 1.00 0.00 N ATOM 358 CA THR A 57 2.122 5.910 7.608 1.00 0.00 C ATOM 359 C THR A 57 1.638 6.527 8.920 1.00 0.00 C ATOM 360 O THR A 57 2.033 7.637 9.284 1.00 0.00 O ATOM 361 CB THR A 57 2.058 6.954 6.477 1.00 0.00 C ATOM 362 OG1 THR A 57 0.700 7.321 6.217 1.00 0.00 O ATOM 363 CG2 THR A 57 2.691 6.409 5.202 1.00 0.00 C ATOM 0 H THR A 57 0.413 4.882 6.949 1.00 0.00 H new ATOM 0 HA THR A 57 3.163 5.606 7.721 1.00 0.00 H new ATOM 0 HB THR A 57 2.615 7.834 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.382 6.853 5.417 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.635 7.163 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.735 6.160 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.157 5.514 4.884 1.00 0.00 H new ATOM 371 N ALA A 58 0.782 5.783 9.623 1.00 0.00 N ATOM 372 CA ALA A 58 0.280 6.170 10.942 1.00 0.00 C ATOM 373 C ALA A 58 -0.494 7.487 10.907 1.00 0.00 C ATOM 374 O ALA A 58 -0.435 8.287 11.845 1.00 0.00 O ATOM 375 CB ALA A 58 1.417 6.240 11.949 1.00 0.00 C ATOM 0 H ALA A 58 0.416 4.891 9.291 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.422 5.397 11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.023 6.529 12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.895 5.264 12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.149 6.977 11.620 1.00 0.00 H new ATOM 381 N ILE A 59 -1.205 7.712 9.816 1.00 0.00 N ATOM 382 CA ILE A 59 -2.112 8.843 9.704 1.00 0.00 C ATOM 383 C ILE A 59 -3.551 8.340 9.709 1.00 0.00 C ATOM 384 O ILE A 59 -3.830 7.246 9.213 1.00 0.00 O ATOM 385 CB ILE A 59 -1.851 9.649 8.408 1.00 0.00 C ATOM 386 CG1 ILE A 59 -0.397 10.125 8.363 1.00 0.00 C ATOM 387 CG2 ILE A 59 -2.800 10.838 8.307 1.00 0.00 C ATOM 388 CD1 ILE A 59 -0.056 10.917 7.120 1.00 0.00 C ATOM 0 H ILE A 59 -1.171 7.120 8.986 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.942 9.503 10.555 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.034 8.994 7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.198 10.739 9.241 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.262 9.259 8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.597 11.389 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.830 10.482 8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.652 11.495 9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.990 11.221 7.158 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.223 10.299 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.689 11.803 7.068 1.00 0.00 H new ATOM 400 N LYS A 60 -4.453 9.111 10.309 1.00 0.00 N ATOM 401 CA LYS A 60 -5.868 8.782 10.279 1.00 0.00 C ATOM 402 C LYS A 60 -6.340 8.730 8.832 1.00 0.00 C ATOM 403 O LYS A 60 -6.147 9.685 8.079 1.00 0.00 O ATOM 404 CB LYS A 60 -6.684 9.808 11.073 1.00 0.00 C ATOM 405 CG LYS A 60 -8.169 9.486 11.136 1.00 0.00 C ATOM 406 CD LYS A 60 -8.912 10.433 12.062 1.00 0.00 C ATOM 407 CE LYS A 60 -10.393 10.098 12.120 1.00 0.00 C ATOM 408 NZ LYS A 60 -11.113 10.926 13.121 1.00 0.00 N ATOM 0 H LYS A 60 -4.227 9.965 10.820 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.017 7.808 10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.290 9.867 12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.553 10.792 10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.597 9.546 10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.304 8.461 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.485 10.376 13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.782 11.459 11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.838 10.250 11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.517 9.043 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.120 10.665 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.706 10.762 14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.018 11.931 12.873 1.00 0.00 H new ATOM 422 N PRO A 61 -6.963 7.615 8.426 1.00 0.00 N ATOM 423 CA PRO A 61 -7.340 7.379 7.027 1.00 0.00 C ATOM 424 C PRO A 61 -8.425 8.325 6.512 1.00 0.00 C ATOM 425 O PRO A 61 -8.793 8.267 5.342 1.00 0.00 O ATOM 426 CB PRO A 61 -7.841 5.934 7.030 1.00 0.00 C ATOM 427 CG PRO A 61 -8.270 5.685 8.433 1.00 0.00 C ATOM 428 CD PRO A 61 -7.338 6.487 9.294 1.00 0.00 C ATOM 0 HA PRO A 61 -6.497 7.558 6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.669 5.801 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.055 5.242 6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.305 5.992 8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.213 4.624 8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.826 6.827 10.207 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.467 5.905 9.596 1.00 0.00 H new ATOM 436 N SER A 62 -8.921 9.192 7.398 1.00 0.00 N ATOM 437 CA SER A 62 -9.927 10.196 7.053 1.00 0.00 C ATOM 438 C SER A 62 -11.289 9.555 6.790 1.00 0.00 C ATOM 439 O SER A 62 -11.394 8.470 6.220 1.00 0.00 O ATOM 440 CB SER A 62 -9.478 11.021 5.838 1.00 0.00 C ATOM 441 OG SER A 62 -10.434 12.014 5.507 1.00 0.00 O ATOM 0 H SER A 62 -8.635 9.217 8.377 1.00 0.00 H new ATOM 0 HA SER A 62 -10.031 10.864 7.908 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.519 11.493 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.326 10.361 4.984 1.00 0.00 H new ATOM 0 HG SER A 62 -10.120 12.524 4.731 1.00 0.00 H new ATOM 447 N LEU A 63 -12.336 10.250 7.218 1.00 0.00 N ATOM 448 CA LEU A 63 -13.700 9.763 7.069 1.00 0.00 C ATOM 449 C LEU A 63 -14.108 9.726 5.602 1.00 0.00 C ATOM 450 O LEU A 63 -15.068 9.047 5.241 1.00 0.00 O ATOM 451 CB LEU A 63 -14.671 10.642 7.862 1.00 0.00 C ATOM 452 CG LEU A 63 -14.421 10.699 9.372 1.00 0.00 C ATOM 453 CD1 LEU A 63 -15.444 11.600 10.045 1.00 0.00 C ATOM 454 CD2 LEU A 63 -14.461 9.303 9.977 1.00 0.00 C ATOM 0 H LEU A 63 -12.264 11.159 7.674 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.740 8.747 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.624 11.656 7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.685 10.279 7.692 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.428 11.116 9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -15.253 11.630 11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.368 12.607 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -16.446 11.210 9.866 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.281 9.366 11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.440 8.857 9.799 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.691 8.684 9.516 1.00 0.00 H new ATOM 466 N GLY A 64 -13.375 10.455 4.765 1.00 0.00 N ATOM 467 CA GLY A 64 -13.639 10.441 3.340 1.00 0.00 C ATOM 468 C GLY A 64 -13.264 9.115 2.709 1.00 0.00 C ATOM 469 O GLY A 64 -14.055 8.516 1.973 1.00 0.00 O ATOM 0 H GLY A 64 -12.602 11.056 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.696 10.640 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.079 11.243 2.859 1.00 0.00 H new ATOM 473 N LEU A 65 -12.060 8.641 3.011 1.00 0.00 N ATOM 474 CA LEU A 65 -11.602 7.356 2.504 1.00 0.00 C ATOM 475 C LEU A 65 -12.442 6.236 3.090 1.00 0.00 C ATOM 476 O LEU A 65 -12.770 5.278 2.403 1.00 0.00 O ATOM 477 CB LEU A 65 -10.120 7.124 2.827 1.00 0.00 C ATOM 478 CG LEU A 65 -9.110 7.852 1.927 1.00 0.00 C ATOM 479 CD1 LEU A 65 -9.280 7.425 0.476 1.00 0.00 C ATOM 480 CD2 LEU A 65 -9.240 9.363 2.055 1.00 0.00 C ATOM 0 H LEU A 65 -11.386 9.127 3.603 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.714 7.363 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.942 7.428 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.920 6.054 2.771 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.110 7.573 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.556 7.952 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.117 6.351 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.289 7.667 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.511 9.847 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.245 9.668 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.057 9.658 3.088 1.00 0.00 H new ATOM 492 N ILE A 66 -12.806 6.381 4.360 1.00 0.00 N ATOM 493 CA ILE A 66 -13.656 5.407 5.036 1.00 0.00 C ATOM 494 C ILE A 66 -15.048 5.374 4.401 1.00 0.00 C ATOM 495 O ILE A 66 -15.684 4.321 4.319 1.00 0.00 O ATOM 496 CB ILE A 66 -13.779 5.727 6.543 1.00 0.00 C ATOM 497 CG1 ILE A 66 -12.394 5.738 7.193 1.00 0.00 C ATOM 498 CG2 ILE A 66 -14.687 4.724 7.242 1.00 0.00 C ATOM 499 CD1 ILE A 66 -11.666 4.412 7.114 1.00 0.00 C ATOM 0 H ILE A 66 -12.524 7.168 4.944 1.00 0.00 H new ATOM 0 HA ILE A 66 -13.190 4.428 4.925 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.226 6.715 6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.785 6.504 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.498 6.022 8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.756 4.972 8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -15.681 4.760 6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -14.275 3.721 7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.693 4.502 7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.252 3.644 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.528 4.134 6.069 1.00 0.00 H new ATOM 511 N ASN A 67 -15.506 6.531 3.938 1.00 0.00 N ATOM 512 CA ASN A 67 -16.803 6.633 3.275 1.00 0.00 C ATOM 513 C ASN A 67 -16.804 5.850 1.966 1.00 0.00 C ATOM 514 O ASN A 67 -17.785 5.185 1.627 1.00 0.00 O ATOM 515 CB ASN A 67 -17.165 8.101 3.019 1.00 0.00 C ATOM 516 CG ASN A 67 -18.460 8.259 2.243 1.00 0.00 C ATOM 517 OD1 ASN A 67 -19.549 8.213 2.815 1.00 0.00 O ATOM 518 ND2 ASN A 67 -18.351 8.475 0.942 1.00 0.00 N ATOM 0 H ASN A 67 -14.999 7.413 4.009 1.00 0.00 H new ATOM 0 HA ASN A 67 -17.556 6.201 3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -17.252 8.621 3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -16.355 8.580 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -19.188 8.611 0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -17.430 8.506 0.506 1.00 0.00 H new ATOM 525 N ARG A 68 -15.697 5.919 1.237 1.00 0.00 N ATOM 526 CA ARG A 68 -15.572 5.178 -0.015 1.00 0.00 C ATOM 527 C ARG A 68 -15.164 3.736 0.257 1.00 0.00 C ATOM 528 O ARG A 68 -15.411 2.849 -0.553 1.00 0.00 O ATOM 529 CB ARG A 68 -14.557 5.842 -0.949 1.00 0.00 C ATOM 530 CG ARG A 68 -15.015 7.182 -1.499 1.00 0.00 C ATOM 531 CD ARG A 68 -14.065 7.696 -2.570 1.00 0.00 C ATOM 532 NE ARG A 68 -14.546 8.938 -3.176 1.00 0.00 N ATOM 533 CZ ARG A 68 -14.815 9.084 -4.475 1.00 0.00 C ATOM 534 NH1 ARG A 68 -14.609 8.082 -5.325 1.00 0.00 N ATOM 535 NH2 ARG A 68 -15.272 10.242 -4.931 1.00 0.00 N ATOM 0 H ARG A 68 -14.879 6.475 1.487 1.00 0.00 H new ATOM 0 HA ARG A 68 -16.545 5.184 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -13.619 5.982 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.349 5.170 -1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -16.017 7.082 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.078 7.908 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.081 7.863 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.945 6.937 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.685 9.744 -2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.242 7.193 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.818 8.203 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.418 11.021 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.478 10.354 -5.924 1.00 0.00 H new ATOM 549 N TRP A 69 -14.558 3.525 1.413 1.00 0.00 N ATOM 550 CA TRP A 69 -14.064 2.220 1.838 1.00 0.00 C ATOM 551 C TRP A 69 -15.183 1.179 1.831 1.00 0.00 C ATOM 552 O TRP A 69 -15.055 0.117 1.227 1.00 0.00 O ATOM 553 CB TRP A 69 -13.476 2.372 3.239 1.00 0.00 C ATOM 554 CG TRP A 69 -12.637 1.229 3.709 1.00 0.00 C ATOM 555 CD1 TRP A 69 -11.640 0.603 3.025 1.00 0.00 C ATOM 556 CD2 TRP A 69 -12.695 0.608 4.994 1.00 0.00 C ATOM 557 NE1 TRP A 69 -11.077 -0.375 3.807 1.00 0.00 N ATOM 558 CE2 TRP A 69 -11.708 -0.391 5.020 1.00 0.00 C ATOM 559 CE3 TRP A 69 -13.490 0.800 6.123 1.00 0.00 C ATOM 560 CZ2 TRP A 69 -11.492 -1.192 6.134 1.00 0.00 C ATOM 561 CZ3 TRP A 69 -13.276 0.004 7.229 1.00 0.00 C ATOM 562 CH2 TRP A 69 -12.282 -0.980 7.227 1.00 0.00 C ATOM 0 H TRP A 69 -14.391 4.265 2.095 1.00 0.00 H new ATOM 0 HA TRP A 69 -13.299 1.871 1.145 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -12.872 3.279 3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -14.294 2.514 3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -11.337 0.841 2.016 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -10.312 -0.990 3.528 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -14.259 1.558 6.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -10.727 -1.955 6.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -13.885 0.143 8.110 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -12.136 -1.585 8.109 1.00 0.00 H new ATOM 573 N GLY A 70 -16.289 1.502 2.490 1.00 0.00 N ATOM 574 CA GLY A 70 -17.433 0.610 2.506 1.00 0.00 C ATOM 575 C GLY A 70 -18.217 0.648 1.206 1.00 0.00 C ATOM 576 O GLY A 70 -19.095 -0.186 0.974 1.00 0.00 O ATOM 0 H GLY A 70 -16.414 2.368 3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.093 -0.409 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.091 0.882 3.331 1.00 0.00 H new ATOM 580 N SER A 71 -17.900 1.617 0.359 1.00 0.00 N ATOM 581 CA SER A 71 -18.558 1.756 -0.931 1.00 0.00 C ATOM 582 C SER A 71 -17.916 0.823 -1.955 1.00 0.00 C ATOM 583 O SER A 71 -18.536 0.468 -2.960 1.00 0.00 O ATOM 584 CB SER A 71 -18.483 3.211 -1.411 1.00 0.00 C ATOM 585 OG SER A 71 -19.138 3.385 -2.659 1.00 0.00 O ATOM 0 H SER A 71 -17.187 2.322 0.544 1.00 0.00 H new ATOM 0 HA SER A 71 -19.607 1.481 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.938 3.864 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.439 3.511 -1.503 1.00 0.00 H new ATOM 0 HG SER A 71 -19.073 4.323 -2.935 1.00 0.00 H new ATOM 591 N VAL A 72 -16.675 0.430 -1.687 1.00 0.00 N ATOM 592 CA VAL A 72 -15.952 -0.497 -2.547 1.00 0.00 C ATOM 593 C VAL A 72 -16.680 -1.834 -2.603 1.00 0.00 C ATOM 594 O VAL A 72 -17.157 -2.326 -1.577 1.00 0.00 O ATOM 595 CB VAL A 72 -14.515 -0.736 -2.027 1.00 0.00 C ATOM 596 CG1 VAL A 72 -13.739 -1.653 -2.962 1.00 0.00 C ATOM 597 CG2 VAL A 72 -13.782 0.583 -1.840 1.00 0.00 C ATOM 0 H VAL A 72 -16.146 0.743 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 72 -15.901 -0.055 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.589 -1.228 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.732 -1.803 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.248 -2.614 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.680 -1.199 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -12.774 0.390 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -13.727 1.107 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.319 1.198 -1.118 1.00 0.00 H new ATOM 607 N GLY A 73 -16.791 -2.403 -3.802 1.00 0.00 N ATOM 608 CA GLY A 73 -17.368 -3.719 -3.937 1.00 0.00 C ATOM 609 C GLY A 73 -16.608 -4.719 -3.104 1.00 0.00 C ATOM 610 O GLY A 73 -15.385 -4.772 -3.169 1.00 0.00 O ATOM 0 H GLY A 73 -16.491 -1.973 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.413 -3.698 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.353 -4.023 -4.984 1.00 0.00 H new ATOM 614 N LYS A 74 -17.322 -5.506 -2.322 1.00 0.00 N ATOM 615 CA LYS A 74 -16.689 -6.420 -1.378 1.00 0.00 C ATOM 616 C LYS A 74 -15.937 -7.500 -2.149 1.00 0.00 C ATOM 617 O LYS A 74 -14.934 -8.037 -1.682 1.00 0.00 O ATOM 618 CB LYS A 74 -17.741 -7.035 -0.447 1.00 0.00 C ATOM 619 CG LYS A 74 -18.795 -6.031 0.020 1.00 0.00 C ATOM 620 CD LYS A 74 -18.176 -4.872 0.787 1.00 0.00 C ATOM 621 CE LYS A 74 -19.153 -3.718 0.976 1.00 0.00 C ATOM 622 NZ LYS A 74 -19.413 -2.989 -0.290 1.00 0.00 N ATOM 0 H LYS A 74 -18.342 -5.534 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.978 -5.873 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -18.236 -7.858 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -17.242 -7.459 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -19.337 -5.646 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -19.523 -6.538 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.839 -5.223 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.295 -4.516 0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -20.093 -4.102 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.755 -3.025 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.543 -1.977 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.606 -3.112 -0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.273 -3.366 -0.737 1.00 0.00 H new ATOM 636 N LYS A 75 -16.429 -7.783 -3.347 1.00 0.00 N ATOM 637 CA LYS A 75 -15.752 -8.675 -4.276 1.00 0.00 C ATOM 638 C LYS A 75 -14.528 -7.981 -4.867 1.00 0.00 C ATOM 639 O LYS A 75 -13.428 -8.542 -4.898 1.00 0.00 O ATOM 640 CB LYS A 75 -16.717 -9.071 -5.395 1.00 0.00 C ATOM 641 CG LYS A 75 -16.099 -9.938 -6.483 1.00 0.00 C ATOM 642 CD LYS A 75 -15.605 -11.269 -5.940 1.00 0.00 C ATOM 643 CE LYS A 75 -15.023 -12.135 -7.046 1.00 0.00 C ATOM 644 NZ LYS A 75 -14.566 -13.456 -6.539 1.00 0.00 N ATOM 0 H LYS A 75 -17.306 -7.402 -3.701 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.427 -9.570 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.561 -9.605 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.115 -8.165 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.836 -10.117 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.268 -9.404 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.848 -11.094 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.429 -11.796 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.774 -12.285 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.185 -11.615 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.177 -14.014 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.831 -13.315 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.371 -13.964 -6.119 1.00 0.00 H new ATOM 658 N GLU A 76 -14.736 -6.749 -5.321 1.00 0.00 N ATOM 659 CA GLU A 76 -13.680 -5.953 -5.931 1.00 0.00 C ATOM 660 C GLU A 76 -12.536 -5.741 -4.951 1.00 0.00 C ATOM 661 O GLU A 76 -11.370 -5.828 -5.322 1.00 0.00 O ATOM 662 CB GLU A 76 -14.238 -4.602 -6.383 1.00 0.00 C ATOM 663 CG GLU A 76 -13.250 -3.757 -7.170 1.00 0.00 C ATOM 664 CD GLU A 76 -12.862 -4.385 -8.493 1.00 0.00 C ATOM 665 OE1 GLU A 76 -13.770 -4.691 -9.298 1.00 0.00 O ATOM 666 OE2 GLU A 76 -11.653 -4.551 -8.747 1.00 0.00 O ATOM 0 H GLU A 76 -15.639 -6.277 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.298 -6.491 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.123 -4.773 -6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.561 -4.042 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.685 -2.774 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.353 -3.602 -6.570 1.00 0.00 H new ATOM 673 N ALA A 77 -12.881 -5.477 -3.696 1.00 0.00 N ATOM 674 CA ALA A 77 -11.887 -5.269 -2.652 1.00 0.00 C ATOM 675 C ALA A 77 -10.955 -6.468 -2.547 1.00 0.00 C ATOM 676 O ALA A 77 -9.742 -6.312 -2.423 1.00 0.00 O ATOM 677 CB ALA A 77 -12.569 -5.006 -1.319 1.00 0.00 C ATOM 0 H ALA A 77 -13.847 -5.402 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.289 -4.396 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.814 -4.852 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.193 -4.116 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.190 -5.861 -1.053 1.00 0.00 H new ATOM 683 N MET A 78 -11.530 -7.664 -2.625 1.00 0.00 N ATOM 684 CA MET A 78 -10.751 -8.896 -2.569 1.00 0.00 C ATOM 685 C MET A 78 -9.797 -8.968 -3.752 1.00 0.00 C ATOM 686 O MET A 78 -8.648 -9.394 -3.617 1.00 0.00 O ATOM 687 CB MET A 78 -11.673 -10.118 -2.572 1.00 0.00 C ATOM 688 CG MET A 78 -12.597 -10.195 -1.371 1.00 0.00 C ATOM 689 SD MET A 78 -13.726 -11.598 -1.451 1.00 0.00 S ATOM 690 CE MET A 78 -14.642 -11.365 0.071 1.00 0.00 C ATOM 0 H MET A 78 -12.535 -7.806 -2.727 1.00 0.00 H new ATOM 0 HA MET A 78 -10.175 -8.895 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 78 -12.275 -10.104 -3.481 1.00 0.00 H new ATOM 0 HB3 MET A 78 -11.063 -11.021 -2.607 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.000 -10.266 -0.462 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.174 -9.273 -1.302 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.386 -12.155 0.173 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.956 -11.401 0.917 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.142 -10.397 0.050 1.00 0.00 H new ATOM 700 N GLU A 79 -10.282 -8.539 -4.911 1.00 0.00 N ATOM 701 CA GLU A 79 -9.477 -8.530 -6.125 1.00 0.00 C ATOM 702 C GLU A 79 -8.368 -7.486 -6.029 1.00 0.00 C ATOM 703 O GLU A 79 -7.234 -7.730 -6.446 1.00 0.00 O ATOM 704 CB GLU A 79 -10.356 -8.257 -7.344 1.00 0.00 C ATOM 705 CG GLU A 79 -11.468 -9.276 -7.520 1.00 0.00 C ATOM 706 CD GLU A 79 -12.246 -9.079 -8.803 1.00 0.00 C ATOM 707 OE1 GLU A 79 -13.313 -8.434 -8.771 1.00 0.00 O ATOM 708 OE2 GLU A 79 -11.794 -9.573 -9.858 1.00 0.00 O ATOM 0 H GLU A 79 -11.233 -8.192 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.017 -9.512 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.794 -7.263 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.733 -8.250 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.041 -10.279 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.151 -9.212 -6.673 1.00 0.00 H new ATOM 715 N ILE A 80 -8.707 -6.326 -5.472 1.00 0.00 N ATOM 716 CA ILE A 80 -7.740 -5.252 -5.266 1.00 0.00 C ATOM 717 C ILE A 80 -6.632 -5.705 -4.323 1.00 0.00 C ATOM 718 O ILE A 80 -5.453 -5.526 -4.611 1.00 0.00 O ATOM 719 CB ILE A 80 -8.411 -3.984 -4.686 1.00 0.00 C ATOM 720 CG1 ILE A 80 -9.482 -3.458 -5.644 1.00 0.00 C ATOM 721 CG2 ILE A 80 -7.370 -2.904 -4.415 1.00 0.00 C ATOM 722 CD1 ILE A 80 -10.350 -2.369 -5.048 1.00 0.00 C ATOM 0 H ILE A 80 -9.651 -6.105 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.318 -5.008 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.888 -4.251 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.997 -3.074 -6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.117 -4.287 -5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.860 -2.020 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.638 -3.276 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.866 -2.643 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.085 -2.046 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.864 -2.754 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.726 -1.522 -4.762 1.00 0.00 H new ATOM 734 N ILE A 81 -7.022 -6.310 -3.206 1.00 0.00 N ATOM 735 CA ILE A 81 -6.064 -6.784 -2.214 1.00 0.00 C ATOM 736 C ILE A 81 -5.177 -7.890 -2.787 1.00 0.00 C ATOM 737 O ILE A 81 -3.977 -7.937 -2.512 1.00 0.00 O ATOM 738 CB ILE A 81 -6.782 -7.284 -0.939 1.00 0.00 C ATOM 739 CG1 ILE A 81 -7.534 -6.130 -0.266 1.00 0.00 C ATOM 740 CG2 ILE A 81 -5.796 -7.917 0.035 1.00 0.00 C ATOM 741 CD1 ILE A 81 -6.642 -4.994 0.196 1.00 0.00 C ATOM 0 H ILE A 81 -7.998 -6.484 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.430 -5.939 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.501 -8.049 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.273 -5.736 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.082 -6.519 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.329 -8.259 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.306 -8.765 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.046 -7.180 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.251 -4.219 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.919 -5.370 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.113 -4.575 -0.660 1.00 0.00 H new ATOM 753 N LYS A 82 -5.765 -8.766 -3.596 1.00 0.00 N ATOM 754 CA LYS A 82 -5.007 -9.829 -4.252 1.00 0.00 C ATOM 755 C LYS A 82 -3.945 -9.211 -5.158 1.00 0.00 C ATOM 756 O LYS A 82 -2.769 -9.576 -5.098 1.00 0.00 O ATOM 757 CB LYS A 82 -5.953 -10.731 -5.065 1.00 0.00 C ATOM 758 CG LYS A 82 -5.371 -12.094 -5.450 1.00 0.00 C ATOM 759 CD LYS A 82 -4.284 -12.002 -6.519 1.00 0.00 C ATOM 760 CE LYS A 82 -4.838 -11.574 -7.872 1.00 0.00 C ATOM 761 NZ LYS A 82 -5.769 -12.583 -8.443 1.00 0.00 N ATOM 0 H LYS A 82 -6.762 -8.762 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.516 -10.442 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.864 -10.891 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.240 -10.205 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.958 -12.570 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.174 -12.736 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.522 -11.291 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.794 -12.970 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.358 -10.622 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.013 -11.410 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.948 -12.363 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.344 -13.529 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.667 -12.563 -7.918 1.00 0.00 H new ATOM 775 N LYS A 83 -4.378 -8.264 -5.981 1.00 0.00 N ATOM 776 CA LYS A 83 -3.491 -7.568 -6.905 1.00 0.00 C ATOM 777 C LYS A 83 -2.450 -6.755 -6.140 1.00 0.00 C ATOM 778 O LYS A 83 -1.292 -6.662 -6.550 1.00 0.00 O ATOM 779 CB LYS A 83 -4.318 -6.657 -7.815 1.00 0.00 C ATOM 780 CG LYS A 83 -3.509 -5.913 -8.863 1.00 0.00 C ATOM 781 CD LYS A 83 -4.414 -5.085 -9.756 1.00 0.00 C ATOM 782 CE LYS A 83 -3.625 -4.350 -10.823 1.00 0.00 C ATOM 783 NZ LYS A 83 -4.510 -3.586 -11.739 1.00 0.00 N ATOM 0 H LYS A 83 -5.350 -7.958 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.964 -8.302 -7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.076 -7.258 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.846 -5.930 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.781 -5.265 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.947 -6.625 -9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.151 -5.734 -10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.965 -4.366 -9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.919 -3.669 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.038 -5.066 -11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.932 -3.098 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.167 -4.239 -12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.051 -2.885 -11.194 1.00 0.00 H new ATOM 797 N PHE A 84 -2.876 -6.180 -5.023 1.00 0.00 N ATOM 798 CA PHE A 84 -1.997 -5.398 -4.167 1.00 0.00 C ATOM 799 C PHE A 84 -0.852 -6.269 -3.658 1.00 0.00 C ATOM 800 O PHE A 84 0.320 -5.928 -3.821 1.00 0.00 O ATOM 801 CB PHE A 84 -2.793 -4.830 -2.987 1.00 0.00 C ATOM 802 CG PHE A 84 -2.314 -3.488 -2.508 1.00 0.00 C ATOM 803 CD1 PHE A 84 -3.086 -2.355 -2.710 1.00 0.00 C ATOM 804 CD2 PHE A 84 -1.099 -3.357 -1.856 1.00 0.00 C ATOM 805 CE1 PHE A 84 -2.656 -1.118 -2.271 1.00 0.00 C ATOM 806 CE2 PHE A 84 -0.664 -2.122 -1.415 1.00 0.00 C ATOM 807 CZ PHE A 84 -1.443 -1.001 -1.621 1.00 0.00 C ATOM 0 H PHE A 84 -3.837 -6.243 -4.687 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.579 -4.573 -4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.841 -4.747 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.746 -5.537 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.036 -2.440 -3.217 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.485 -4.230 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.268 -0.243 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.286 -2.034 -0.909 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.105 -0.035 -1.275 1.00 0.00 H new ATOM 817 N LYS A 85 -1.204 -7.409 -3.065 1.00 0.00 N ATOM 818 CA LYS A 85 -0.214 -8.344 -2.535 1.00 0.00 C ATOM 819 C LYS A 85 0.698 -8.862 -3.642 1.00 0.00 C ATOM 820 O LYS A 85 1.898 -9.063 -3.430 1.00 0.00 O ATOM 821 CB LYS A 85 -0.899 -9.529 -1.852 1.00 0.00 C ATOM 822 CG LYS A 85 -1.738 -9.156 -0.641 1.00 0.00 C ATOM 823 CD LYS A 85 -2.304 -10.398 0.027 1.00 0.00 C ATOM 824 CE LYS A 85 -3.111 -10.058 1.267 1.00 0.00 C ATOM 825 NZ LYS A 85 -3.636 -11.281 1.926 1.00 0.00 N ATOM 0 H LYS A 85 -2.171 -7.708 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 85 0.387 -7.803 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.536 -10.033 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.137 -10.245 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.129 -8.600 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.552 -8.498 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.936 -10.935 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.488 -11.068 0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.487 -9.505 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.940 -9.405 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.633 -11.136 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.560 -12.087 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.083 -11.477 2.785 1.00 0.00 H new ATOM 839 N LYS A 86 0.114 -9.081 -4.814 1.00 0.00 N ATOM 840 CA LYS A 86 0.853 -9.542 -5.981 1.00 0.00 C ATOM 841 C LYS A 86 1.986 -8.579 -6.323 1.00 0.00 C ATOM 842 O LYS A 86 3.158 -8.963 -6.363 1.00 0.00 O ATOM 843 CB LYS A 86 -0.096 -9.670 -7.175 1.00 0.00 C ATOM 844 CG LYS A 86 0.616 -9.785 -8.512 1.00 0.00 C ATOM 845 CD LYS A 86 -0.340 -9.566 -9.670 1.00 0.00 C ATOM 846 CE LYS A 86 0.412 -9.271 -10.957 1.00 0.00 C ATOM 847 NZ LYS A 86 1.278 -8.067 -10.829 1.00 0.00 N ATOM 0 H LYS A 86 -0.883 -8.944 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 86 1.287 -10.516 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.728 -10.547 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.756 -8.802 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.422 -9.053 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.074 -10.770 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.962 -10.451 -9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.010 -8.738 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.024 -10.132 -11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.301 -9.121 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.461 -7.669 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.799 -7.356 -10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.180 -8.334 -10.385 1.00 0.00 H new ATOM 861 N ASP A 87 1.628 -7.325 -6.555 1.00 0.00 N ATOM 862 CA ASP A 87 2.603 -6.316 -6.943 1.00 0.00 C ATOM 863 C ASP A 87 3.580 -6.027 -5.811 1.00 0.00 C ATOM 864 O ASP A 87 4.737 -5.694 -6.059 1.00 0.00 O ATOM 865 CB ASP A 87 1.903 -5.035 -7.397 1.00 0.00 C ATOM 866 CG ASP A 87 1.558 -5.055 -8.876 1.00 0.00 C ATOM 867 OD1 ASP A 87 0.750 -5.907 -9.305 1.00 0.00 O ATOM 868 OD2 ASP A 87 2.087 -4.202 -9.621 1.00 0.00 O ATOM 0 H ASP A 87 0.670 -6.982 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 87 3.176 -6.710 -7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.991 -4.897 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.546 -4.180 -7.188 1.00 0.00 H new ATOM 873 N LEU A 88 3.124 -6.173 -4.569 1.00 0.00 N ATOM 874 CA LEU A 88 4.009 -6.027 -3.415 1.00 0.00 C ATOM 875 C LEU A 88 5.124 -7.062 -3.469 1.00 0.00 C ATOM 876 O LEU A 88 6.287 -6.749 -3.219 1.00 0.00 O ATOM 877 CB LEU A 88 3.241 -6.180 -2.100 1.00 0.00 C ATOM 878 CG LEU A 88 2.293 -5.035 -1.743 1.00 0.00 C ATOM 879 CD1 LEU A 88 1.600 -5.325 -0.422 1.00 0.00 C ATOM 880 CD2 LEU A 88 3.045 -3.714 -1.670 1.00 0.00 C ATOM 0 H LEU A 88 2.155 -6.391 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 88 4.436 -5.025 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.664 -7.103 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.963 -6.294 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 88 1.539 -4.953 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.927 -4.504 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.029 -6.250 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.347 -5.430 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.351 -2.914 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.821 -3.779 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.503 -3.502 -2.636 1.00 0.00 H new ATOM 892 N ALA A 89 4.758 -8.292 -3.809 1.00 0.00 N ATOM 893 CA ALA A 89 5.720 -9.380 -3.917 1.00 0.00 C ATOM 894 C ALA A 89 6.728 -9.098 -5.023 1.00 0.00 C ATOM 895 O ALA A 89 7.913 -9.413 -4.897 1.00 0.00 O ATOM 896 CB ALA A 89 5.001 -10.693 -4.177 1.00 0.00 C ATOM 0 H ALA A 89 3.796 -8.561 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 89 6.261 -9.458 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.731 -11.498 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.317 -10.902 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.438 -10.621 -5.108 1.00 0.00 H new ATOM 902 N ALA A 90 6.248 -8.498 -6.103 1.00 0.00 N ATOM 903 CA ALA A 90 7.109 -8.127 -7.217 1.00 0.00 C ATOM 904 C ALA A 90 8.101 -7.047 -6.797 1.00 0.00 C ATOM 905 O ALA A 90 9.307 -7.181 -7.013 1.00 0.00 O ATOM 906 CB ALA A 90 6.273 -7.656 -8.397 1.00 0.00 C ATOM 0 H ALA A 90 5.265 -8.257 -6.232 1.00 0.00 H new ATOM 0 HA ALA A 90 7.675 -9.007 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.930 -7.382 -9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.607 -8.458 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.682 -6.789 -8.101 1.00 0.00 H new ATOM 912 N MET A 91 7.587 -5.989 -6.174 1.00 0.00 N ATOM 913 CA MET A 91 8.426 -4.881 -5.717 1.00 0.00 C ATOM 914 C MET A 91 9.450 -5.375 -4.702 1.00 0.00 C ATOM 915 O MET A 91 10.600 -4.935 -4.698 1.00 0.00 O ATOM 916 CB MET A 91 7.571 -3.770 -5.095 1.00 0.00 C ATOM 917 CG MET A 91 6.481 -3.237 -6.016 1.00 0.00 C ATOM 918 SD MET A 91 7.123 -2.516 -7.540 1.00 0.00 S ATOM 919 CE MET A 91 7.934 -1.048 -6.912 1.00 0.00 C ATOM 0 H MET A 91 6.593 -5.875 -5.973 1.00 0.00 H new ATOM 0 HA MET A 91 8.949 -4.474 -6.582 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.109 -4.149 -4.183 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.221 -2.945 -4.804 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.798 -4.048 -6.266 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.900 -2.484 -5.483 1.00 0.00 H new ATOM 0 HE1 MET A 91 8.527 -0.593 -7.705 1.00 0.00 H new ATOM 0 HE2 MET A 91 7.183 -0.337 -6.567 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.586 -1.319 -6.082 1.00 0.00 H new ATOM 929 N LEU A 92 9.019 -6.303 -3.854 1.00 0.00 N ATOM 930 CA LEU A 92 9.889 -6.917 -2.857 1.00 0.00 C ATOM 931 C LEU A 92 11.065 -7.624 -3.517 1.00 0.00 C ATOM 932 O LEU A 92 12.214 -7.485 -3.089 1.00 0.00 O ATOM 933 CB LEU A 92 9.096 -7.921 -2.019 1.00 0.00 C ATOM 934 CG LEU A 92 9.920 -8.727 -1.013 1.00 0.00 C ATOM 935 CD1 LEU A 92 10.614 -7.803 -0.028 1.00 0.00 C ATOM 936 CD2 LEU A 92 9.036 -9.725 -0.284 1.00 0.00 C ATOM 0 H LEU A 92 8.060 -6.650 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 92 10.276 -6.126 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.317 -7.383 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.594 -8.616 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 92 10.686 -9.280 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.195 -8.395 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.278 -7.128 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.868 -7.221 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.637 -10.291 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.248 -9.192 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.588 -10.409 -1.005 1.00 0.00 H new ATOM 948 N ARG A 93 10.774 -8.381 -4.563 1.00 0.00 N ATOM 949 CA ARG A 93 11.792 -9.133 -5.257 1.00 0.00 C ATOM 950 C ARG A 93 12.800 -8.193 -5.911 1.00 0.00 C ATOM 951 O ARG A 93 13.976 -8.530 -6.046 1.00 0.00 O ATOM 952 CB ARG A 93 11.143 -10.043 -6.298 1.00 0.00 C ATOM 953 CG ARG A 93 12.094 -11.075 -6.854 1.00 0.00 C ATOM 954 CD ARG A 93 11.403 -12.017 -7.823 1.00 0.00 C ATOM 955 NE ARG A 93 12.285 -13.106 -8.242 1.00 0.00 N ATOM 956 CZ ARG A 93 11.949 -14.037 -9.136 1.00 0.00 C ATOM 957 NH1 ARG A 93 10.773 -13.981 -9.750 1.00 0.00 N ATOM 958 NH2 ARG A 93 12.796 -15.015 -9.427 1.00 0.00 N ATOM 0 H ARG A 93 9.835 -8.487 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 93 12.329 -9.752 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.289 -10.549 -5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.758 -9.434 -7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.918 -10.573 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.526 -11.650 -6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.511 -12.432 -7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.072 -11.459 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 93 13.214 -13.157 -7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.123 -13.224 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.520 -14.695 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.705 -15.056 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.538 -15.726 -10.111 1.00 0.00 H new ATOM 972 N ILE A 94 12.342 -7.007 -6.303 1.00 0.00 N ATOM 973 CA ILE A 94 13.237 -6.006 -6.866 1.00 0.00 C ATOM 974 C ILE A 94 14.147 -5.431 -5.779 1.00 0.00 C ATOM 975 O ILE A 94 15.312 -5.133 -6.038 1.00 0.00 O ATOM 976 CB ILE A 94 12.477 -4.858 -7.559 1.00 0.00 C ATOM 977 CG1 ILE A 94 11.380 -5.411 -8.470 1.00 0.00 C ATOM 978 CG2 ILE A 94 13.452 -4.012 -8.368 1.00 0.00 C ATOM 979 CD1 ILE A 94 10.497 -4.341 -9.077 1.00 0.00 C ATOM 0 H ILE A 94 11.365 -6.719 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 94 13.836 -6.512 -7.623 1.00 0.00 H new ATOM 0 HB ILE A 94 12.008 -4.237 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.842 -5.987 -9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.759 -6.101 -7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 94 12.912 -3.201 -8.857 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.209 -3.595 -7.704 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.934 -4.634 -9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.743 -4.808 -9.711 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.006 -3.780 -8.282 1.00 0.00 H new ATOM 0 HD13 ILE A 94 11.106 -3.664 -9.676 1.00 0.00 H new ATOM 991 N ILE A 95 13.616 -5.288 -4.560 1.00 0.00 N ATOM 992 CA ILE A 95 14.432 -4.879 -3.413 1.00 0.00 C ATOM 993 C ILE A 95 15.630 -5.815 -3.286 1.00 0.00 C ATOM 994 O ILE A 95 16.775 -5.381 -3.161 1.00 0.00 O ATOM 995 CB ILE A 95 13.652 -4.934 -2.074 1.00 0.00 C ATOM 996 CG1 ILE A 95 12.394 -4.070 -2.127 1.00 0.00 C ATOM 997 CG2 ILE A 95 14.547 -4.465 -0.939 1.00 0.00 C ATOM 998 CD1 ILE A 95 12.682 -2.593 -2.009 1.00 0.00 C ATOM 0 H ILE A 95 12.632 -5.448 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 95 14.737 -3.848 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 95 13.348 -5.966 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.871 -4.258 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.722 -4.368 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 95 13.995 -4.505 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.421 -5.112 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 95 14.867 -3.440 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.747 -2.035 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.178 -2.394 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.330 -2.282 -2.829 1.00 0.00 H new ATOM 1010 N ASN A 96 15.346 -7.112 -3.340 1.00 0.00 N ATOM 1011 CA ASN A 96 16.374 -8.134 -3.191 1.00 0.00 C ATOM 1012 C ASN A 96 17.237 -8.237 -4.447 1.00 0.00 C ATOM 1013 O ASN A 96 18.375 -8.695 -4.388 1.00 0.00 O ATOM 1014 CB ASN A 96 15.731 -9.488 -2.873 1.00 0.00 C ATOM 1015 CG ASN A 96 16.741 -10.561 -2.488 1.00 0.00 C ATOM 1016 OD1 ASN A 96 17.779 -10.180 -1.754 1.00 0.00 O flip ATOM 1017 ND2 ASN A 96 16.568 -11.733 -2.820 1.00 0.00 N flip ATOM 0 H ASN A 96 14.407 -7.481 -3.487 1.00 0.00 H new ATOM 0 HA ASN A 96 17.021 -7.845 -2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 96 15.018 -9.361 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.166 -9.826 -3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 96 15.758 -11.989 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 96 17.234 -12.449 -2.530 1.00 0.00 H new ATOM 1024 N ALA A 97 16.699 -7.808 -5.580 1.00 0.00 N ATOM 1025 CA ALA A 97 17.472 -7.765 -6.815 1.00 0.00 C ATOM 1026 C ALA A 97 18.578 -6.730 -6.697 1.00 0.00 C ATOM 1027 O ALA A 97 19.701 -6.937 -7.160 1.00 0.00 O ATOM 1028 CB ALA A 97 16.579 -7.446 -8.001 1.00 0.00 C ATOM 0 H ALA A 97 15.735 -7.486 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 97 17.917 -8.747 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 97 17.178 -7.419 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.811 -8.214 -8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.106 -6.476 -7.850 1.00 0.00 H new ATOM 1034 N ARG A 98 18.253 -5.624 -6.046 1.00 0.00 N ATOM 1035 CA ARG A 98 19.213 -4.561 -5.805 1.00 0.00 C ATOM 1036 C ARG A 98 19.732 -4.661 -4.376 1.00 0.00 C ATOM 1037 O ARG A 98 19.888 -3.661 -3.673 1.00 0.00 O ATOM 1038 CB ARG A 98 18.577 -3.190 -6.070 1.00 0.00 C ATOM 1039 CG ARG A 98 17.330 -2.914 -5.243 1.00 0.00 C ATOM 1040 CD ARG A 98 16.621 -1.654 -5.706 1.00 0.00 C ATOM 1041 NE ARG A 98 17.445 -0.457 -5.535 1.00 0.00 N ATOM 1042 CZ ARG A 98 17.260 0.679 -6.211 1.00 0.00 C ATOM 1043 NH1 ARG A 98 16.341 0.744 -7.171 1.00 0.00 N ATOM 1044 NH2 ARG A 98 18.008 1.742 -5.942 1.00 0.00 N ATOM 0 H ARG A 98 17.322 -5.440 -5.672 1.00 0.00 H new ATOM 0 HA ARG A 98 20.053 -4.671 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 98 19.314 -2.414 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.322 -3.118 -7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.650 -3.763 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.604 -2.813 -4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 98 16.349 -1.758 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.693 -1.536 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 98 18.207 -0.493 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.776 -0.076 -7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.202 1.613 -7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.725 1.691 -5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 98 17.866 2.610 -6.459 1.00 0.00 H new ATOM 1288 N GLY B 42 10.922 9.840 6.077 1.00 0.00 N ATOM 1289 CA GLY B 42 10.137 8.820 6.735 1.00 0.00 C ATOM 1290 C GLY B 42 10.884 7.509 6.841 1.00 0.00 C ATOM 1291 O GLY B 42 11.752 7.223 6.013 1.00 0.00 O ATOM 0 HA2 GLY B 42 9.862 9.162 7.733 1.00 0.00 H new ATOM 0 HA3 GLY B 42 9.209 8.665 6.184 1.00 0.00 H new ATOM 1295 N PRO B 43 10.573 6.695 7.861 1.00 0.00 N ATOM 1296 CA PRO B 43 11.193 5.380 8.044 1.00 0.00 C ATOM 1297 C PRO B 43 10.866 4.439 6.893 1.00 0.00 C ATOM 1298 O PRO B 43 9.869 4.610 6.191 1.00 0.00 O ATOM 1299 CB PRO B 43 10.581 4.865 9.352 1.00 0.00 C ATOM 1300 CG PRO B 43 9.328 5.649 9.530 1.00 0.00 C ATOM 1301 CD PRO B 43 9.592 6.994 8.918 1.00 0.00 C ATOM 0 HA PRO B 43 12.281 5.439 8.073 1.00 0.00 H new ATOM 0 HB2 PRO B 43 10.373 3.797 9.296 1.00 0.00 H new ATOM 0 HB3 PRO B 43 11.261 5.013 10.191 1.00 0.00 H new ATOM 0 HG2 PRO B 43 8.487 5.157 9.042 1.00 0.00 H new ATOM 0 HG3 PRO B 43 9.073 5.744 10.586 1.00 0.00 H new ATOM 0 HD2 PRO B 43 8.683 7.437 8.510 1.00 0.00 H new ATOM 0 HD3 PRO B 43 9.989 7.698 9.649 1.00 0.00 H new ATOM 1309 N ILE B 44 11.725 3.437 6.722 1.00 0.00 N ATOM 1310 CA ILE B 44 11.696 2.554 5.558 1.00 0.00 C ATOM 1311 C ILE B 44 10.360 1.835 5.382 1.00 0.00 C ATOM 1312 O ILE B 44 9.990 1.490 4.260 1.00 0.00 O ATOM 1313 CB ILE B 44 12.851 1.532 5.605 1.00 0.00 C ATOM 1314 CG1 ILE B 44 12.883 0.804 6.951 1.00 0.00 C ATOM 1315 CG2 ILE B 44 14.178 2.233 5.341 1.00 0.00 C ATOM 1316 CD1 ILE B 44 14.054 -0.142 7.106 1.00 0.00 C ATOM 0 H ILE B 44 12.464 3.214 7.389 1.00 0.00 H new ATOM 0 HA ILE B 44 11.826 3.199 4.689 1.00 0.00 H new ATOM 0 HB ILE B 44 12.686 0.787 4.827 1.00 0.00 H new ATOM 0 HG12 ILE B 44 12.916 1.542 7.752 1.00 0.00 H new ATOM 0 HG13 ILE B 44 11.956 0.243 7.072 1.00 0.00 H new ATOM 0 HG21 ILE B 44 14.988 1.504 5.376 1.00 0.00 H new ATOM 0 HG22 ILE B 44 14.153 2.701 4.357 1.00 0.00 H new ATOM 0 HG23 ILE B 44 14.344 2.996 6.101 1.00 0.00 H new ATOM 0 HD11 ILE B 44 14.008 -0.620 8.084 1.00 0.00 H new ATOM 0 HD12 ILE B 44 14.012 -0.904 6.327 1.00 0.00 H new ATOM 0 HD13 ILE B 44 14.986 0.416 7.018 1.00 0.00 H new ATOM 1328 N ARG B 45 9.633 1.619 6.475 1.00 0.00 N ATOM 1329 CA ARG B 45 8.290 1.054 6.383 1.00 0.00 C ATOM 1330 C ARG B 45 7.355 2.019 5.662 1.00 0.00 C ATOM 1331 O ARG B 45 6.592 1.626 4.781 1.00 0.00 O ATOM 1332 CB ARG B 45 7.734 0.703 7.767 1.00 0.00 C ATOM 1333 CG ARG B 45 7.786 1.831 8.787 1.00 0.00 C ATOM 1334 CD ARG B 45 7.429 1.324 10.175 1.00 0.00 C ATOM 1335 NE ARG B 45 7.565 2.360 11.200 1.00 0.00 N ATOM 1336 CZ ARG B 45 8.294 2.218 12.308 1.00 0.00 C ATOM 1337 NH1 ARG B 45 8.986 1.102 12.518 1.00 0.00 N ATOM 1338 NH2 ARG B 45 8.336 3.196 13.203 1.00 0.00 N ATOM 0 H ARG B 45 9.946 1.824 7.424 1.00 0.00 H new ATOM 0 HA ARG B 45 8.355 0.131 5.807 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.698 0.382 7.655 1.00 0.00 H new ATOM 0 HB3 ARG B 45 8.290 -0.148 8.160 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.784 2.268 8.801 1.00 0.00 H new ATOM 0 HG3 ARG B 45 7.095 2.622 8.496 1.00 0.00 H new ATOM 0 HD2 ARG B 45 6.404 0.953 10.171 1.00 0.00 H new ATOM 0 HD3 ARG B 45 8.072 0.481 10.427 1.00 0.00 H new ATOM 0 HE ARG B 45 7.073 3.242 11.059 1.00 0.00 H new ATOM 0 HH11 ARG B 45 8.961 0.349 11.830 1.00 0.00 H new ATOM 0 HH12 ARG B 45 9.542 0.999 13.367 1.00 0.00 H new ATOM 0 HH21 ARG B 45 7.811 4.056 13.044 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.893 3.088 14.051 1.00 0.00 H new ATOM 1352 N MET B 46 7.440 3.287 6.034 1.00 0.00 N ATOM 1353 CA MET B 46 6.665 4.335 5.380 1.00 0.00 C ATOM 1354 C MET B 46 7.116 4.519 3.938 1.00 0.00 C ATOM 1355 O MET B 46 6.317 4.873 3.081 1.00 0.00 O ATOM 1356 CB MET B 46 6.785 5.661 6.132 1.00 0.00 C ATOM 1357 CG MET B 46 6.004 5.700 7.433 1.00 0.00 C ATOM 1358 SD MET B 46 6.177 7.274 8.297 1.00 0.00 S ATOM 1359 CE MET B 46 5.149 6.982 9.734 1.00 0.00 C ATOM 0 H MET B 46 8.041 3.618 6.789 1.00 0.00 H new ATOM 0 HA MET B 46 5.620 4.024 5.388 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.837 5.854 6.344 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.437 6.467 5.486 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.950 5.517 7.225 1.00 0.00 H new ATOM 0 HG3 MET B 46 6.345 4.894 8.082 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.515 7.851 9.910 1.00 0.00 H new ATOM 0 HE2 MET B 46 4.524 6.105 9.562 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.781 6.812 10.605 1.00 0.00 H new ATOM 1369 N VAL B 47 8.397 4.275 3.678 1.00 0.00 N ATOM 1370 CA VAL B 47 8.929 4.365 2.322 1.00 0.00 C ATOM 1371 C VAL B 47 8.172 3.425 1.390 1.00 0.00 C ATOM 1372 O VAL B 47 7.706 3.835 0.327 1.00 0.00 O ATOM 1373 CB VAL B 47 10.439 4.038 2.270 1.00 0.00 C ATOM 1374 CG1 VAL B 47 10.957 4.093 0.841 1.00 0.00 C ATOM 1375 CG2 VAL B 47 11.222 4.997 3.156 1.00 0.00 C ATOM 0 H VAL B 47 9.084 4.014 4.386 1.00 0.00 H new ATOM 0 HA VAL B 47 8.795 5.395 1.993 1.00 0.00 H new ATOM 0 HB VAL B 47 10.580 3.024 2.644 1.00 0.00 H new ATOM 0 HG11 VAL B 47 12.022 3.859 0.831 1.00 0.00 H new ATOM 0 HG12 VAL B 47 10.420 3.366 0.231 1.00 0.00 H new ATOM 0 HG13 VAL B 47 10.801 5.093 0.436 1.00 0.00 H new ATOM 0 HG21 VAL B 47 12.283 4.753 3.108 1.00 0.00 H new ATOM 0 HG22 VAL B 47 11.069 6.019 2.810 1.00 0.00 H new ATOM 0 HG23 VAL B 47 10.875 4.907 4.185 1.00 0.00 H new ATOM 1385 N LEU B 48 8.029 2.171 1.808 1.00 0.00 N ATOM 1386 CA LEU B 48 7.282 1.192 1.024 1.00 0.00 C ATOM 1387 C LEU B 48 5.795 1.544 0.978 1.00 0.00 C ATOM 1388 O LEU B 48 5.114 1.255 -0.008 1.00 0.00 O ATOM 1389 CB LEU B 48 7.480 -0.226 1.576 1.00 0.00 C ATOM 1390 CG LEU B 48 8.724 -0.966 1.061 1.00 0.00 C ATOM 1391 CD1 LEU B 48 10.001 -0.245 1.460 1.00 0.00 C ATOM 1392 CD2 LEU B 48 8.741 -2.397 1.575 1.00 0.00 C ATOM 0 H LEU B 48 8.418 1.810 2.679 1.00 0.00 H new ATOM 0 HA LEU B 48 7.672 1.219 0.006 1.00 0.00 H new ATOM 0 HB2 LEU B 48 7.536 -0.170 2.663 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.598 -0.819 1.332 1.00 0.00 H new ATOM 0 HG LEU B 48 8.675 -0.983 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.863 -0.794 1.080 1.00 0.00 H new ATOM 0 HD12 LEU B 48 9.998 0.761 1.040 1.00 0.00 H new ATOM 0 HD13 LEU B 48 10.060 -0.184 2.547 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.629 -2.907 1.201 1.00 0.00 H new ATOM 0 HD22 LEU B 48 8.757 -2.392 2.665 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.849 -2.919 1.228 1.00 0.00 H new ATOM 1404 N ALA B 49 5.301 2.176 2.039 1.00 0.00 N ATOM 1405 CA ALA B 49 3.912 2.626 2.087 1.00 0.00 C ATOM 1406 C ALA B 49 3.656 3.708 1.042 1.00 0.00 C ATOM 1407 O ALA B 49 2.687 3.635 0.285 1.00 0.00 O ATOM 1408 CB ALA B 49 3.565 3.137 3.477 1.00 0.00 C ATOM 0 H ALA B 49 5.842 2.388 2.878 1.00 0.00 H new ATOM 0 HA ALA B 49 3.271 1.774 1.860 1.00 0.00 H new ATOM 0 HB1 ALA B 49 2.527 3.468 3.494 1.00 0.00 H new ATOM 0 HB2 ALA B 49 3.703 2.336 4.204 1.00 0.00 H new ATOM 0 HB3 ALA B 49 4.217 3.973 3.730 1.00 0.00 H new ATOM 1414 N ILE B 50 4.537 4.704 0.998 1.00 0.00 N ATOM 1415 CA ILE B 50 4.432 5.781 0.019 1.00 0.00 C ATOM 1416 C ILE B 50 4.656 5.233 -1.387 1.00 0.00 C ATOM 1417 O ILE B 50 4.026 5.673 -2.349 1.00 0.00 O ATOM 1418 CB ILE B 50 5.454 6.910 0.296 1.00 0.00 C ATOM 1419 CG1 ILE B 50 5.334 7.399 1.744 1.00 0.00 C ATOM 1420 CG2 ILE B 50 5.242 8.068 -0.672 1.00 0.00 C ATOM 1421 CD1 ILE B 50 6.353 8.453 2.122 1.00 0.00 C ATOM 0 H ILE B 50 5.333 4.787 1.630 1.00 0.00 H new ATOM 0 HA ILE B 50 3.429 6.201 0.101 1.00 0.00 H new ATOM 0 HB ILE B 50 6.457 6.511 0.147 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.334 7.803 1.899 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.441 6.547 2.415 1.00 0.00 H new ATOM 0 HG21 ILE B 50 5.968 8.854 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE B 50 5.372 7.715 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.234 8.464 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.203 8.748 3.161 1.00 0.00 H new ATOM 0 HD12 ILE B 50 7.358 8.048 2.001 1.00 0.00 H new ATOM 0 HD13 ILE B 50 6.233 9.323 1.477 1.00 0.00 H new ATOM 1433 N LEU B 51 5.555 4.261 -1.488 1.00 0.00 N ATOM 1434 CA LEU B 51 5.839 3.593 -2.751 1.00 0.00 C ATOM 1435 C LEU B 51 4.581 2.939 -3.310 1.00 0.00 C ATOM 1436 O LEU B 51 4.197 3.187 -4.454 1.00 0.00 O ATOM 1437 CB LEU B 51 6.914 2.527 -2.554 1.00 0.00 C ATOM 1438 CG LEU B 51 7.329 1.788 -3.823 1.00 0.00 C ATOM 1439 CD1 LEU B 51 8.364 2.591 -4.597 1.00 0.00 C ATOM 1440 CD2 LEU B 51 7.849 0.405 -3.479 1.00 0.00 C ATOM 0 H LEU B 51 6.104 3.916 -0.701 1.00 0.00 H new ATOM 0 HA LEU B 51 6.194 4.344 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.796 2.998 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU B 51 6.553 1.798 -1.829 1.00 0.00 H new ATOM 0 HG LEU B 51 6.454 1.671 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.647 2.047 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU B 51 7.942 3.557 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.245 2.745 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.142 -0.111 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU B 51 8.713 0.495 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.067 -0.163 -2.976 1.00 0.00 H new ATOM 1452 N ALA B 52 3.948 2.098 -2.494 1.00 0.00 N ATOM 1453 CA ALA B 52 2.721 1.422 -2.892 1.00 0.00 C ATOM 1454 C ALA B 52 1.642 2.439 -3.216 1.00 0.00 C ATOM 1455 O ALA B 52 0.932 2.309 -4.210 1.00 0.00 O ATOM 1456 CB ALA B 52 2.246 0.485 -1.795 1.00 0.00 C ATOM 0 H ALA B 52 4.268 1.870 -1.552 1.00 0.00 H new ATOM 0 HA ALA B 52 2.928 0.832 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA B 52 1.328 -0.010 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA B 52 3.013 -0.264 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA B 52 2.055 1.056 -0.886 1.00 0.00 H new ATOM 1462 N PHE B 53 1.541 3.452 -2.365 1.00 0.00 N ATOM 1463 CA PHE B 53 0.626 4.564 -2.574 1.00 0.00 C ATOM 1464 C PHE B 53 0.758 5.111 -3.990 1.00 0.00 C ATOM 1465 O PHE B 53 -0.166 5.007 -4.791 1.00 0.00 O ATOM 1466 CB PHE B 53 0.927 5.659 -1.545 1.00 0.00 C ATOM 1467 CG PHE B 53 0.235 6.973 -1.787 1.00 0.00 C ATOM 1468 CD1 PHE B 53 0.978 8.116 -2.038 1.00 0.00 C ATOM 1469 CD2 PHE B 53 -1.146 7.071 -1.750 1.00 0.00 C ATOM 1470 CE1 PHE B 53 0.359 9.331 -2.247 1.00 0.00 C ATOM 1471 CE2 PHE B 53 -1.770 8.286 -1.961 1.00 0.00 C ATOM 1472 CZ PHE B 53 -1.016 9.416 -2.209 1.00 0.00 C ATOM 0 H PHE B 53 2.092 3.525 -1.510 1.00 0.00 H new ATOM 0 HA PHE B 53 -0.399 4.216 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE B 53 0.645 5.295 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE B 53 2.003 5.831 -1.526 1.00 0.00 H new ATOM 0 HD1 PHE B 53 2.056 8.055 -2.070 1.00 0.00 H new ATOM 0 HD2 PHE B 53 -1.740 6.191 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE B 53 0.951 10.214 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE B 53 -2.848 8.352 -1.932 1.00 0.00 H new ATOM 0 HZ PHE B 53 -1.503 10.366 -2.373 1.00 0.00 H new ATOM 1482 N LEU B 54 1.925 5.653 -4.296 1.00 0.00 N ATOM 1483 CA LEU B 54 2.179 6.272 -5.589 1.00 0.00 C ATOM 1484 C LEU B 54 1.971 5.283 -6.736 1.00 0.00 C ATOM 1485 O LEU B 54 1.356 5.618 -7.743 1.00 0.00 O ATOM 1486 CB LEU B 54 3.597 6.850 -5.618 1.00 0.00 C ATOM 1487 CG LEU B 54 3.850 7.966 -4.597 1.00 0.00 C ATOM 1488 CD1 LEU B 54 5.318 8.352 -4.567 1.00 0.00 C ATOM 1489 CD2 LEU B 54 2.992 9.183 -4.914 1.00 0.00 C ATOM 0 H LEU B 54 2.721 5.677 -3.659 1.00 0.00 H new ATOM 0 HA LEU B 54 1.462 7.081 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU B 54 4.308 6.043 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU B 54 3.798 7.237 -6.617 1.00 0.00 H new ATOM 0 HG LEU B 54 3.575 7.590 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU B 54 5.471 9.145 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU B 54 5.917 7.484 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU B 54 5.622 8.705 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU B 54 3.184 9.965 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU B 54 3.238 9.552 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU B 54 1.939 8.904 -4.880 1.00 0.00 H new ATOM 1501 N ARG B 55 2.446 4.058 -6.566 1.00 0.00 N ATOM 1502 CA ARG B 55 2.335 3.050 -7.615 1.00 0.00 C ATOM 1503 C ARG B 55 0.888 2.660 -7.895 1.00 0.00 C ATOM 1504 O ARG B 55 0.456 2.646 -9.050 1.00 0.00 O ATOM 1505 CB ARG B 55 3.153 1.812 -7.259 1.00 0.00 C ATOM 1506 CG ARG B 55 4.611 1.935 -7.652 1.00 0.00 C ATOM 1507 CD ARG B 55 4.758 2.006 -9.164 1.00 0.00 C ATOM 1508 NE ARG B 55 6.154 2.027 -9.594 1.00 0.00 N ATOM 1509 CZ ARG B 55 6.537 1.942 -10.869 1.00 0.00 C ATOM 1510 NH1 ARG B 55 5.631 1.832 -11.836 1.00 0.00 N ATOM 1511 NH2 ARG B 55 7.825 1.969 -11.177 1.00 0.00 N ATOM 0 H ARG B 55 2.910 3.737 -5.716 1.00 0.00 H new ATOM 0 HA ARG B 55 2.734 3.496 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG B 55 3.085 1.634 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG B 55 2.721 0.942 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG B 55 5.041 2.828 -7.198 1.00 0.00 H new ATOM 0 HG3 ARG B 55 5.169 1.082 -7.267 1.00 0.00 H new ATOM 0 HD2 ARG B 55 4.256 1.150 -9.614 1.00 0.00 H new ATOM 0 HD3 ARG B 55 4.255 2.900 -9.532 1.00 0.00 H new ATOM 0 HE ARG B 55 6.877 2.111 -8.879 1.00 0.00 H new ATOM 0 HH11 ARG B 55 4.638 1.812 -11.604 1.00 0.00 H new ATOM 0 HH12 ARG B 55 5.929 1.767 -12.809 1.00 0.00 H new ATOM 0 HH21 ARG B 55 8.524 2.055 -10.439 1.00 0.00 H new ATOM 0 HH22 ARG B 55 8.118 1.904 -12.152 1.00 0.00 H new ATOM 1525 N PHE B 56 0.135 2.358 -6.848 1.00 0.00 N ATOM 1526 CA PHE B 56 -1.248 1.930 -7.014 1.00 0.00 C ATOM 1527 C PHE B 56 -2.162 3.113 -7.310 1.00 0.00 C ATOM 1528 O PHE B 56 -3.346 2.937 -7.606 1.00 0.00 O ATOM 1529 CB PHE B 56 -1.735 1.166 -5.781 1.00 0.00 C ATOM 1530 CG PHE B 56 -1.146 -0.213 -5.668 1.00 0.00 C ATOM 1531 CD1 PHE B 56 0.023 -0.430 -4.956 1.00 0.00 C ATOM 1532 CD2 PHE B 56 -1.762 -1.292 -6.280 1.00 0.00 C ATOM 1533 CE1 PHE B 56 0.566 -1.696 -4.856 1.00 0.00 C ATOM 1534 CE2 PHE B 56 -1.224 -2.560 -6.183 1.00 0.00 C ATOM 1535 CZ PHE B 56 -0.058 -2.762 -5.470 1.00 0.00 C ATOM 0 H PHE B 56 0.454 2.400 -5.880 1.00 0.00 H new ATOM 0 HA PHE B 56 -1.285 1.257 -7.870 1.00 0.00 H new ATOM 0 HB2 PHE B 56 -1.484 1.736 -4.886 1.00 0.00 H new ATOM 0 HB3 PHE B 56 -2.822 1.088 -5.815 1.00 0.00 H new ATOM 0 HD1 PHE B 56 0.516 0.401 -4.473 1.00 0.00 H new ATOM 0 HD2 PHE B 56 -2.673 -1.140 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE B 56 1.478 -1.851 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE B 56 -1.714 -3.393 -6.664 1.00 0.00 H new ATOM 0 HZ PHE B 56 0.364 -3.753 -5.393 1.00 0.00 H new ATOM 1545 N THR B 57 -1.616 4.318 -7.232 1.00 0.00 N ATOM 1546 CA THR B 57 -2.365 5.504 -7.620 1.00 0.00 C ATOM 1547 C THR B 57 -1.873 6.044 -8.963 1.00 0.00 C ATOM 1548 O THR B 57 -2.254 7.138 -9.387 1.00 0.00 O ATOM 1549 CB THR B 57 -2.291 6.609 -6.549 1.00 0.00 C ATOM 1550 OG1 THR B 57 -0.929 6.977 -6.310 1.00 0.00 O ATOM 1551 CG2 THR B 57 -2.930 6.145 -5.245 1.00 0.00 C ATOM 0 H THR B 57 -0.666 4.500 -6.907 1.00 0.00 H new ATOM 0 HA THR B 57 -3.408 5.203 -7.718 1.00 0.00 H new ATOM 0 HB THR B 57 -2.840 7.475 -6.920 1.00 0.00 H new ATOM 0 HG1 THR B 57 -0.496 6.290 -5.761 1.00 0.00 H new ATOM 0 HG21 THR B 57 -2.865 6.942 -4.504 1.00 0.00 H new ATOM 0 HG22 THR B 57 -3.977 5.897 -5.421 1.00 0.00 H new ATOM 0 HG23 THR B 57 -2.405 5.264 -4.876 1.00 0.00 H new ATOM 1559 N ALA B 58 -1.025 5.253 -9.622 1.00 0.00 N ATOM 1560 CA ALA B 58 -0.518 5.558 -10.960 1.00 0.00 C ATOM 1561 C ALA B 58 0.274 6.865 -10.999 1.00 0.00 C ATOM 1562 O ALA B 58 0.225 7.610 -11.984 1.00 0.00 O ATOM 1563 CB ALA B 58 -1.655 5.586 -11.969 1.00 0.00 C ATOM 0 H ALA B 58 -0.669 4.377 -9.240 1.00 0.00 H new ATOM 0 HA ALA B 58 0.174 4.760 -11.231 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.258 5.814 -12.958 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -2.146 4.613 -11.991 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.377 6.351 -11.682 1.00 0.00 H new ATOM 1569 N ILE B 59 0.987 7.143 -9.922 1.00 0.00 N ATOM 1570 CA ILE B 59 1.905 8.270 -9.871 1.00 0.00 C ATOM 1571 C ILE B 59 3.339 7.758 -9.840 1.00 0.00 C ATOM 1572 O ILE B 59 3.613 6.705 -9.261 1.00 0.00 O ATOM 1573 CB ILE B 59 1.649 9.151 -8.625 1.00 0.00 C ATOM 1574 CG1 ILE B 59 0.200 9.641 -8.608 1.00 0.00 C ATOM 1575 CG2 ILE B 59 2.609 10.336 -8.592 1.00 0.00 C ATOM 1576 CD1 ILE B 59 -0.133 10.508 -7.414 1.00 0.00 C ATOM 0 H ILE B 59 0.947 6.597 -9.061 1.00 0.00 H new ATOM 0 HA ILE B 59 1.742 8.879 -10.760 1.00 0.00 H new ATOM 0 HB ILE B 59 1.824 8.544 -7.737 1.00 0.00 H new ATOM 0 HG12 ILE B 59 0.005 10.204 -9.521 1.00 0.00 H new ATOM 0 HG13 ILE B 59 -0.466 8.778 -8.617 1.00 0.00 H new ATOM 0 HG21 ILE B 59 2.410 10.941 -7.707 1.00 0.00 H new ATOM 0 HG22 ILE B 59 3.636 9.972 -8.559 1.00 0.00 H new ATOM 0 HG23 ILE B 59 2.468 10.943 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -1.176 10.818 -7.469 1.00 0.00 H new ATOM 0 HD12 ILE B 59 0.029 9.942 -6.497 1.00 0.00 H new ATOM 0 HD13 ILE B 59 0.508 11.390 -7.414 1.00 0.00 H new ATOM 1588 N LYS B 60 4.246 8.481 -10.490 1.00 0.00 N ATOM 1589 CA LYS B 60 5.658 8.140 -10.440 1.00 0.00 C ATOM 1590 C LYS B 60 6.133 8.171 -8.993 1.00 0.00 C ATOM 1591 O LYS B 60 5.958 9.175 -8.301 1.00 0.00 O ATOM 1592 CB LYS B 60 6.485 9.107 -11.295 1.00 0.00 C ATOM 1593 CG LYS B 60 7.967 8.768 -11.332 1.00 0.00 C ATOM 1594 CD LYS B 60 8.723 9.652 -12.308 1.00 0.00 C ATOM 1595 CE LYS B 60 10.201 9.302 -12.344 1.00 0.00 C ATOM 1596 NZ LYS B 60 10.932 10.071 -13.384 1.00 0.00 N ATOM 0 H LYS B 60 4.027 9.302 -11.054 1.00 0.00 H new ATOM 0 HA LYS B 60 5.794 7.137 -10.845 1.00 0.00 H new ATOM 0 HB2 LYS B 60 6.094 9.105 -12.313 1.00 0.00 H new ATOM 0 HB3 LYS B 60 6.361 10.118 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS B 60 8.391 8.882 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS B 60 8.094 7.723 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS B 60 8.297 9.542 -13.305 1.00 0.00 H new ATOM 0 HD3 LYS B 60 8.602 10.697 -12.023 1.00 0.00 H new ATOM 0 HE2 LYS B 60 10.644 9.501 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS B 60 10.316 8.235 -12.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 11.936 9.801 -13.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 10.527 9.862 -14.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 10.845 11.089 -13.188 1.00 0.00 H new ATOM 1610 N PRO B 61 6.743 7.073 -8.521 1.00 0.00 N ATOM 1611 CA PRO B 61 7.115 6.913 -7.110 1.00 0.00 C ATOM 1612 C PRO B 61 8.209 7.875 -6.646 1.00 0.00 C ATOM 1613 O PRO B 61 8.574 7.881 -5.473 1.00 0.00 O ATOM 1614 CB PRO B 61 7.602 5.465 -7.030 1.00 0.00 C ATOM 1615 CG PRO B 61 8.029 5.131 -8.416 1.00 0.00 C ATOM 1616 CD PRO B 61 7.106 5.891 -9.323 1.00 0.00 C ATOM 0 HA PRO B 61 6.272 7.138 -6.456 1.00 0.00 H new ATOM 0 HB2 PRO B 61 8.428 5.364 -6.326 1.00 0.00 H new ATOM 0 HB3 PRO B 61 6.809 4.799 -6.689 1.00 0.00 H new ATOM 0 HG2 PRO B 61 9.067 5.418 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO B 61 7.961 4.059 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO B 61 7.598 6.172 -10.254 1.00 0.00 H new ATOM 0 HD3 PRO B 61 6.229 5.301 -9.591 1.00 0.00 H new ATOM 1624 N SER B 62 8.715 8.684 -7.579 1.00 0.00 N ATOM 1625 CA SER B 62 9.727 9.700 -7.288 1.00 0.00 C ATOM 1626 C SER B 62 11.084 9.065 -6.986 1.00 0.00 C ATOM 1627 O SER B 62 11.179 8.016 -6.349 1.00 0.00 O ATOM 1628 CB SER B 62 9.277 10.598 -6.124 1.00 0.00 C ATOM 1629 OG SER B 62 10.238 11.604 -5.836 1.00 0.00 O ATOM 0 H SER B 62 8.434 8.653 -8.559 1.00 0.00 H new ATOM 0 HA SER B 62 9.841 10.319 -8.178 1.00 0.00 H new ATOM 0 HB2 SER B 62 8.324 11.065 -6.372 1.00 0.00 H new ATOM 0 HB3 SER B 62 9.111 9.988 -5.236 1.00 0.00 H new ATOM 0 HG SER B 62 9.919 12.158 -5.093 1.00 0.00 H new ATOM 1635 N LEU B 63 12.138 9.718 -7.459 1.00 0.00 N ATOM 1636 CA LEU B 63 13.497 9.227 -7.277 1.00 0.00 C ATOM 1637 C LEU B 63 13.904 9.275 -5.809 1.00 0.00 C ATOM 1638 O LEU B 63 14.863 8.619 -5.406 1.00 0.00 O ATOM 1639 CB LEU B 63 14.479 10.045 -8.119 1.00 0.00 C ATOM 1640 CG LEU B 63 14.232 10.016 -9.629 1.00 0.00 C ATOM 1641 CD1 LEU B 63 15.265 10.863 -10.351 1.00 0.00 C ATOM 1642 CD2 LEU B 63 14.254 8.588 -10.153 1.00 0.00 C ATOM 0 H LEU B 63 12.076 10.595 -7.975 1.00 0.00 H new ATOM 0 HA LEU B 63 13.525 8.189 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU B 63 14.445 11.081 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU B 63 15.488 9.681 -7.926 1.00 0.00 H new ATOM 0 HG LEU B 63 13.244 10.434 -9.822 1.00 0.00 H new ATOM 0 HD11 LEU B 63 15.075 10.832 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU B 63 15.200 11.893 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU B 63 16.262 10.473 -10.147 1.00 0.00 H new ATOM 0 HD21 LEU B 63 14.076 8.592 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU B 63 15.226 8.140 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU B 63 13.475 8.007 -9.659 1.00 0.00 H new ATOM 1654 N GLY B 64 13.175 10.055 -5.019 1.00 0.00 N ATOM 1655 CA GLY B 64 13.437 10.122 -3.594 1.00 0.00 C ATOM 1656 C GLY B 64 13.049 8.837 -2.890 1.00 0.00 C ATOM 1657 O GLY B 64 13.833 8.273 -2.119 1.00 0.00 O ATOM 0 H GLY B 64 12.406 10.643 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY B 64 14.496 10.322 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY B 64 12.883 10.955 -3.161 1.00 0.00 H new ATOM 1661 N LEU B 65 11.842 8.358 -3.166 1.00 0.00 N ATOM 1662 CA LEU B 65 11.371 7.109 -2.587 1.00 0.00 C ATOM 1663 C LEU B 65 12.202 5.948 -3.105 1.00 0.00 C ATOM 1664 O LEU B 65 12.519 5.030 -2.361 1.00 0.00 O ATOM 1665 CB LEU B 65 9.888 6.873 -2.897 1.00 0.00 C ATOM 1666 CG LEU B 65 8.884 7.661 -2.040 1.00 0.00 C ATOM 1667 CD1 LEU B 65 9.047 7.317 -0.568 1.00 0.00 C ATOM 1668 CD2 LEU B 65 9.030 9.160 -2.253 1.00 0.00 C ATOM 0 H LEU B 65 11.174 8.816 -3.786 1.00 0.00 H new ATOM 0 HA LEU B 65 11.482 7.178 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU B 65 9.713 7.120 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU B 65 9.678 5.810 -2.781 1.00 0.00 H new ATOM 0 HG LEU B 65 7.882 7.372 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU B 65 8.327 7.886 0.020 1.00 0.00 H new ATOM 0 HD12 LEU B 65 8.873 6.251 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU B 65 10.058 7.568 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU B 65 8.306 9.688 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU B 65 10.038 9.470 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU B 65 8.851 9.398 -3.302 1.00 0.00 H new ATOM 1680 N ILE B 66 12.568 6.014 -4.380 1.00 0.00 N ATOM 1681 CA ILE B 66 13.411 4.994 -4.996 1.00 0.00 C ATOM 1682 C ILE B 66 14.802 4.983 -4.359 1.00 0.00 C ATOM 1683 O ILE B 66 15.430 3.931 -4.215 1.00 0.00 O ATOM 1684 CB ILE B 66 13.539 5.227 -6.518 1.00 0.00 C ATOM 1685 CG1 ILE B 66 12.155 5.213 -7.172 1.00 0.00 C ATOM 1686 CG2 ILE B 66 14.441 4.178 -7.156 1.00 0.00 C ATOM 1687 CD1 ILE B 66 11.413 3.900 -7.019 1.00 0.00 C ATOM 0 H ILE B 66 12.293 6.767 -5.011 1.00 0.00 H new ATOM 0 HA ILE B 66 12.936 4.028 -4.828 1.00 0.00 H new ATOM 0 HB ILE B 66 13.994 6.204 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE B 66 11.552 6.012 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE B 66 12.264 5.435 -8.234 1.00 0.00 H new ATOM 0 HG21 ILE B 66 14.515 4.364 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE B 66 15.434 4.232 -6.709 1.00 0.00 H new ATOM 0 HG23 ILE B 66 14.021 3.186 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE B 66 10.442 3.972 -7.509 1.00 0.00 H new ATOM 0 HD12 ILE B 66 11.993 3.099 -7.477 1.00 0.00 H new ATOM 0 HD13 ILE B 66 11.270 3.684 -5.960 1.00 0.00 H new ATOM 1699 N ASN B 67 15.272 6.161 -3.963 1.00 0.00 N ATOM 1700 CA ASN B 67 16.570 6.289 -3.302 1.00 0.00 C ATOM 1701 C ASN B 67 16.561 5.582 -1.952 1.00 0.00 C ATOM 1702 O ASN B 67 17.535 4.928 -1.576 1.00 0.00 O ATOM 1703 CB ASN B 67 16.942 7.766 -3.123 1.00 0.00 C ATOM 1704 CG ASN B 67 18.243 7.957 -2.361 1.00 0.00 C ATOM 1705 OD1 ASN B 67 19.330 7.882 -2.937 1.00 0.00 O ATOM 1706 ND2 ASN B 67 18.142 8.237 -1.071 1.00 0.00 N ATOM 0 H ASN B 67 14.775 7.043 -4.087 1.00 0.00 H new ATOM 0 HA ASN B 67 17.320 5.815 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN B 67 17.028 8.236 -4.103 1.00 0.00 H new ATOM 0 HB3 ASN B 67 16.138 8.277 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN B 67 18.983 8.400 -0.517 1.00 0.00 H new ATOM 0 HD22 ASN B 67 17.223 8.290 -0.631 1.00 0.00 H new ATOM 1713 N ARG B 68 15.453 5.704 -1.231 1.00 0.00 N ATOM 1714 CA ARG B 68 15.318 5.041 0.063 1.00 0.00 C ATOM 1715 C ARG B 68 14.894 3.589 -0.124 1.00 0.00 C ATOM 1716 O ARG B 68 15.127 2.751 0.740 1.00 0.00 O ATOM 1717 CB ARG B 68 14.310 5.768 0.955 1.00 0.00 C ATOM 1718 CG ARG B 68 14.779 7.134 1.427 1.00 0.00 C ATOM 1719 CD ARG B 68 13.831 7.721 2.462 1.00 0.00 C ATOM 1720 NE ARG B 68 14.319 8.993 2.994 1.00 0.00 N ATOM 1721 CZ ARG B 68 14.590 9.213 4.282 1.00 0.00 C ATOM 1722 NH1 ARG B 68 14.378 8.265 5.190 1.00 0.00 N ATOM 1723 NH2 ARG B 68 15.060 10.392 4.667 1.00 0.00 N ATOM 0 H ARG B 68 14.640 6.251 -1.516 1.00 0.00 H new ATOM 0 HA ARG B 68 16.291 5.068 0.553 1.00 0.00 H new ATOM 0 HB2 ARG B 68 13.374 5.885 0.409 1.00 0.00 H new ATOM 0 HB3 ARG B 68 14.096 5.148 1.825 1.00 0.00 H new ATOM 0 HG2 ARG B 68 15.778 7.049 1.854 1.00 0.00 H new ATOM 0 HG3 ARG B 68 14.852 7.809 0.575 1.00 0.00 H new ATOM 0 HD2 ARG B 68 12.850 7.869 2.012 1.00 0.00 H new ATOM 0 HD3 ARG B 68 13.703 7.012 3.280 1.00 0.00 H new ATOM 0 HE ARG B 68 14.461 9.761 2.338 1.00 0.00 H new ATOM 0 HH11 ARG B 68 14.005 7.360 4.904 1.00 0.00 H new ATOM 0 HH12 ARG B 68 14.588 8.443 6.172 1.00 0.00 H new ATOM 0 HH21 ARG B 68 15.214 11.129 3.979 1.00 0.00 H new ATOM 0 HH22 ARG B 68 15.268 10.562 5.651 1.00 0.00 H new ATOM 1737 N TRP B 69 14.288 3.317 -1.268 1.00 0.00 N ATOM 1738 CA TRP B 69 13.781 1.994 -1.618 1.00 0.00 C ATOM 1739 C TRP B 69 14.890 0.944 -1.547 1.00 0.00 C ATOM 1740 O TRP B 69 14.751 -0.079 -0.880 1.00 0.00 O ATOM 1741 CB TRP B 69 13.196 2.071 -3.026 1.00 0.00 C ATOM 1742 CG TRP B 69 12.346 0.911 -3.433 1.00 0.00 C ATOM 1743 CD1 TRP B 69 11.344 0.335 -2.715 1.00 0.00 C ATOM 1744 CD2 TRP B 69 12.399 0.217 -4.680 1.00 0.00 C ATOM 1745 NE1 TRP B 69 10.772 -0.681 -3.440 1.00 0.00 N ATOM 1746 CE2 TRP B 69 11.403 -0.773 -4.649 1.00 0.00 C ATOM 1747 CE3 TRP B 69 13.196 0.335 -5.817 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 11.180 -1.637 -5.714 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 12.974 -0.522 -6.876 1.00 0.00 C ATOM 1750 CH2 TRP B 69 11.971 -1.495 -6.817 1.00 0.00 C ATOM 0 H TRP B 69 14.131 4.017 -1.993 1.00 0.00 H new ATOM 0 HA TRP B 69 13.011 1.692 -0.908 1.00 0.00 H new ATOM 0 HB2 TRP B 69 12.601 2.981 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP B 69 14.017 2.165 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP B 69 11.043 0.633 -1.722 1.00 0.00 H new ATOM 0 HE1 TRP B 69 10.001 -1.271 -3.127 1.00 0.00 H new ATOM 0 HE3 TRP B 69 13.973 1.083 -5.869 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 10.410 -2.393 -5.671 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 13.584 -0.440 -7.763 1.00 0.00 H new ATOM 0 HH2 TRP B 69 11.819 -2.149 -7.663 1.00 0.00 H new ATOM 1761 N GLY B 70 15.998 1.216 -2.226 1.00 0.00 N ATOM 1762 CA GLY B 70 17.134 0.316 -2.187 1.00 0.00 C ATOM 1763 C GLY B 70 17.914 0.421 -0.889 1.00 0.00 C ATOM 1764 O GLY B 70 18.776 -0.412 -0.604 1.00 0.00 O ATOM 0 H GLY B 70 16.130 2.046 -2.804 1.00 0.00 H new ATOM 0 HA2 GLY B 70 16.786 -0.709 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY B 70 17.797 0.536 -3.024 1.00 0.00 H new ATOM 1768 N SER B 71 17.607 1.444 -0.100 1.00 0.00 N ATOM 1769 CA SER B 71 18.264 1.650 1.182 1.00 0.00 C ATOM 1770 C SER B 71 17.610 0.786 2.256 1.00 0.00 C ATOM 1771 O SER B 71 18.221 0.494 3.287 1.00 0.00 O ATOM 1772 CB SER B 71 18.201 3.129 1.581 1.00 0.00 C ATOM 1773 OG SER B 71 18.854 3.362 2.821 1.00 0.00 O ATOM 0 H SER B 71 16.903 2.146 -0.329 1.00 0.00 H new ATOM 0 HA SER B 71 19.310 1.358 1.088 1.00 0.00 H new ATOM 0 HB2 SER B 71 18.665 3.737 0.804 1.00 0.00 H new ATOM 0 HB3 SER B 71 17.160 3.444 1.652 1.00 0.00 H new ATOM 0 HG SER B 71 18.798 4.314 3.047 1.00 0.00 H new ATOM 1779 N VAL B 72 16.369 0.386 2.006 1.00 0.00 N ATOM 1780 CA VAL B 72 15.636 -0.483 2.916 1.00 0.00 C ATOM 1781 C VAL B 72 16.352 -1.820 3.050 1.00 0.00 C ATOM 1782 O VAL B 72 16.824 -2.376 2.055 1.00 0.00 O ATOM 1783 CB VAL B 72 14.196 -0.737 2.409 1.00 0.00 C ATOM 1784 CG1 VAL B 72 13.410 -1.590 3.394 1.00 0.00 C ATOM 1785 CG2 VAL B 72 13.476 0.576 2.146 1.00 0.00 C ATOM 0 H VAL B 72 15.846 0.653 1.172 1.00 0.00 H new ATOM 0 HA VAL B 72 15.588 0.016 3.884 1.00 0.00 H new ATOM 0 HB VAL B 72 14.266 -1.285 1.469 1.00 0.00 H new ATOM 0 HG11 VAL B 72 12.402 -1.752 3.012 1.00 0.00 H new ATOM 0 HG12 VAL B 72 13.909 -2.551 3.522 1.00 0.00 H new ATOM 0 HG13 VAL B 72 13.355 -1.079 4.355 1.00 0.00 H new ATOM 0 HG21 VAL B 72 12.466 0.372 1.791 1.00 0.00 H new ATOM 0 HG22 VAL B 72 13.426 1.155 3.068 1.00 0.00 H new ATOM 0 HG23 VAL B 72 14.019 1.144 1.390 1.00 0.00 H new ATOM 1795 N GLY B 73 16.458 -2.319 4.279 1.00 0.00 N ATOM 1796 CA GLY B 73 17.023 -3.631 4.489 1.00 0.00 C ATOM 1797 C GLY B 73 16.253 -4.670 3.714 1.00 0.00 C ATOM 1798 O GLY B 73 15.029 -4.703 3.774 1.00 0.00 O ATOM 0 H GLY B 73 16.162 -1.836 5.127 1.00 0.00 H new ATOM 0 HA2 GLY B 73 18.068 -3.637 4.178 1.00 0.00 H new ATOM 0 HA3 GLY B 73 17.006 -3.875 5.551 1.00 0.00 H new ATOM 1802 N LYS B 74 16.961 -5.511 2.984 1.00 0.00 N ATOM 1803 CA LYS B 74 16.319 -6.471 2.093 1.00 0.00 C ATOM 1804 C LYS B 74 15.555 -7.499 2.922 1.00 0.00 C ATOM 1805 O LYS B 74 14.557 -8.061 2.479 1.00 0.00 O ATOM 1806 CB LYS B 74 17.365 -7.149 1.201 1.00 0.00 C ATOM 1807 CG LYS B 74 18.428 -6.185 0.679 1.00 0.00 C ATOM 1808 CD LYS B 74 17.820 -5.067 -0.156 1.00 0.00 C ATOM 1809 CE LYS B 74 18.808 -3.936 -0.412 1.00 0.00 C ATOM 1810 NZ LYS B 74 19.077 -3.137 0.811 1.00 0.00 N ATOM 0 H LYS B 74 17.980 -5.552 2.987 1.00 0.00 H new ATOM 0 HA LYS B 74 15.614 -5.952 1.444 1.00 0.00 H new ATOM 0 HB2 LYS B 74 17.851 -7.945 1.764 1.00 0.00 H new ATOM 0 HB3 LYS B 74 16.862 -7.618 0.355 1.00 0.00 H new ATOM 0 HG2 LYS B 74 18.972 -5.755 1.520 1.00 0.00 H new ATOM 0 HG3 LYS B 74 19.152 -6.734 0.078 1.00 0.00 H new ATOM 0 HD2 LYS B 74 17.479 -5.472 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS B 74 16.942 -4.671 0.354 1.00 0.00 H new ATOM 0 HE2 LYS B 74 19.744 -4.351 -0.785 1.00 0.00 H new ATOM 0 HE3 LYS B 74 18.416 -3.283 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 19.250 -2.146 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 18.255 -3.188 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 19.914 -3.517 1.297 1.00 0.00 H new ATOM 1824 N LYS B 75 16.037 -7.713 4.139 1.00 0.00 N ATOM 1825 CA LYS B 75 15.353 -8.547 5.115 1.00 0.00 C ATOM 1826 C LYS B 75 14.137 -7.809 5.664 1.00 0.00 C ATOM 1827 O LYS B 75 13.031 -8.352 5.717 1.00 0.00 O ATOM 1828 CB LYS B 75 16.314 -8.889 6.256 1.00 0.00 C ATOM 1829 CG LYS B 75 15.684 -9.686 7.390 1.00 0.00 C ATOM 1830 CD LYS B 75 15.174 -11.040 6.924 1.00 0.00 C ATOM 1831 CE LYS B 75 14.584 -11.831 8.080 1.00 0.00 C ATOM 1832 NZ LYS B 75 14.122 -13.181 7.660 1.00 0.00 N ATOM 0 H LYS B 75 16.913 -7.313 4.476 1.00 0.00 H new ATOM 0 HA LYS B 75 15.021 -9.468 4.635 1.00 0.00 H new ATOM 0 HB2 LYS B 75 17.152 -9.456 5.851 1.00 0.00 H new ATOM 0 HB3 LYS B 75 16.722 -7.963 6.661 1.00 0.00 H new ATOM 0 HG2 LYS B 75 16.418 -9.829 8.183 1.00 0.00 H new ATOM 0 HG3 LYS B 75 14.859 -9.116 7.818 1.00 0.00 H new ATOM 0 HD2 LYS B 75 14.418 -10.901 6.151 1.00 0.00 H new ATOM 0 HD3 LYS B 75 15.991 -11.604 6.473 1.00 0.00 H new ATOM 0 HE2 LYS B 75 15.331 -11.933 8.867 1.00 0.00 H new ATOM 0 HE3 LYS B 75 13.746 -11.279 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 13.727 -13.684 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 13.390 -13.085 6.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 14.925 -13.719 7.278 1.00 0.00 H new ATOM 1846 N GLU B 76 14.359 -6.557 6.051 1.00 0.00 N ATOM 1847 CA GLU B 76 13.311 -5.715 6.611 1.00 0.00 C ATOM 1848 C GLU B 76 12.170 -5.544 5.616 1.00 0.00 C ATOM 1849 O GLU B 76 11.003 -5.593 5.991 1.00 0.00 O ATOM 1850 CB GLU B 76 13.883 -4.346 6.987 1.00 0.00 C ATOM 1851 CG GLU B 76 12.902 -3.444 7.721 1.00 0.00 C ATOM 1852 CD GLU B 76 12.494 -3.988 9.074 1.00 0.00 C ATOM 1853 OE1 GLU B 76 13.388 -4.279 9.898 1.00 0.00 O ATOM 1854 OE2 GLU B 76 11.276 -4.098 9.333 1.00 0.00 O ATOM 0 H GLU B 76 15.268 -6.100 5.985 1.00 0.00 H new ATOM 0 HA GLU B 76 12.922 -6.199 7.506 1.00 0.00 H new ATOM 0 HB2 GLU B 76 14.764 -4.491 7.612 1.00 0.00 H new ATOM 0 HB3 GLU B 76 14.215 -3.841 6.080 1.00 0.00 H new ATOM 0 HG2 GLU B 76 13.351 -2.459 7.852 1.00 0.00 H new ATOM 0 HG3 GLU B 76 12.012 -3.309 7.107 1.00 0.00 H new ATOM 1861 N ALA B 77 12.518 -5.359 4.346 1.00 0.00 N ATOM 1862 CA ALA B 77 11.527 -5.201 3.290 1.00 0.00 C ATOM 1863 C ALA B 77 10.582 -6.393 3.254 1.00 0.00 C ATOM 1864 O ALA B 77 9.372 -6.232 3.112 1.00 0.00 O ATOM 1865 CB ALA B 77 12.211 -5.024 1.944 1.00 0.00 C ATOM 0 H ALA B 77 13.485 -5.315 4.023 1.00 0.00 H new ATOM 0 HA ALA B 77 10.940 -4.307 3.502 1.00 0.00 H new ATOM 0 HB1 ALA B 77 11.457 -4.907 1.165 1.00 0.00 H new ATOM 0 HB2 ALA B 77 12.845 -4.137 1.972 1.00 0.00 H new ATOM 0 HB3 ALA B 77 12.822 -5.900 1.729 1.00 0.00 H new ATOM 1871 N MET B 78 11.143 -7.589 3.406 1.00 0.00 N ATOM 1872 CA MET B 78 10.351 -8.813 3.419 1.00 0.00 C ATOM 1873 C MET B 78 9.393 -8.809 4.602 1.00 0.00 C ATOM 1874 O MET B 78 8.238 -9.226 4.482 1.00 0.00 O ATOM 1875 CB MET B 78 11.260 -10.043 3.493 1.00 0.00 C ATOM 1876 CG MET B 78 12.184 -10.195 2.299 1.00 0.00 C ATOM 1877 SD MET B 78 13.297 -11.606 2.457 1.00 0.00 S ATOM 1878 CE MET B 78 14.219 -11.469 0.926 1.00 0.00 C ATOM 0 H MET B 78 12.146 -7.736 3.522 1.00 0.00 H new ATOM 0 HA MET B 78 9.776 -8.857 2.494 1.00 0.00 H new ATOM 0 HB2 MET B 78 11.861 -9.985 4.400 1.00 0.00 H new ATOM 0 HB3 MET B 78 10.641 -10.936 3.577 1.00 0.00 H new ATOM 0 HG2 MET B 78 11.587 -10.308 1.394 1.00 0.00 H new ATOM 0 HG3 MET B 78 12.772 -9.285 2.181 1.00 0.00 H new ATOM 0 HE1 MET B 78 14.953 -12.273 0.870 1.00 0.00 H new ATOM 0 HE2 MET B 78 13.534 -11.543 0.081 1.00 0.00 H new ATOM 0 HE3 MET B 78 14.732 -10.508 0.895 1.00 0.00 H new ATOM 1888 N GLU B 79 9.881 -8.321 5.737 1.00 0.00 N ATOM 1889 CA GLU B 79 9.074 -8.231 6.946 1.00 0.00 C ATOM 1890 C GLU B 79 7.976 -7.183 6.784 1.00 0.00 C ATOM 1891 O GLU B 79 6.835 -7.394 7.199 1.00 0.00 O ATOM 1892 CB GLU B 79 9.954 -7.895 8.151 1.00 0.00 C ATOM 1893 CG GLU B 79 11.054 -8.914 8.389 1.00 0.00 C ATOM 1894 CD GLU B 79 11.828 -8.656 9.664 1.00 0.00 C ATOM 1895 OE1 GLU B 79 12.894 -8.016 9.601 1.00 0.00 O ATOM 1896 OE2 GLU B 79 11.370 -9.100 10.740 1.00 0.00 O ATOM 0 H GLU B 79 10.836 -7.980 5.844 1.00 0.00 H new ATOM 0 HA GLU B 79 8.604 -9.199 7.116 1.00 0.00 H new ATOM 0 HB2 GLU B 79 10.403 -6.913 8.003 1.00 0.00 H new ATOM 0 HB3 GLU B 79 9.330 -7.829 9.042 1.00 0.00 H new ATOM 0 HG2 GLU B 79 10.616 -9.911 8.431 1.00 0.00 H new ATOM 0 HG3 GLU B 79 11.742 -8.903 7.544 1.00 0.00 H new ATOM 1903 N ILE B 80 8.331 -6.059 6.168 1.00 0.00 N ATOM 1904 CA ILE B 80 7.376 -4.990 5.894 1.00 0.00 C ATOM 1905 C ILE B 80 6.265 -5.487 4.975 1.00 0.00 C ATOM 1906 O ILE B 80 5.087 -5.275 5.246 1.00 0.00 O ATOM 1907 CB ILE B 80 8.062 -3.766 5.243 1.00 0.00 C ATOM 1908 CG1 ILE B 80 9.136 -3.195 6.171 1.00 0.00 C ATOM 1909 CG2 ILE B 80 7.031 -2.693 4.909 1.00 0.00 C ATOM 1910 CD1 ILE B 80 10.015 -2.151 5.515 1.00 0.00 C ATOM 0 H ILE B 80 9.280 -5.864 5.847 1.00 0.00 H new ATOM 0 HA ILE B 80 6.953 -4.684 6.851 1.00 0.00 H new ATOM 0 HB ILE B 80 8.539 -4.092 4.319 1.00 0.00 H new ATOM 0 HG12 ILE B 80 8.653 -2.754 7.043 1.00 0.00 H new ATOM 0 HG13 ILE B 80 9.763 -4.010 6.532 1.00 0.00 H new ATOM 0 HG21 ILE B 80 7.530 -1.839 4.452 1.00 0.00 H new ATOM 0 HG22 ILE B 80 6.296 -3.099 4.214 1.00 0.00 H new ATOM 0 HG23 ILE B 80 6.529 -2.374 5.822 1.00 0.00 H new ATOM 0 HD11 ILE B 80 10.752 -1.792 6.233 1.00 0.00 H new ATOM 0 HD12 ILE B 80 10.527 -2.592 4.659 1.00 0.00 H new ATOM 0 HD13 ILE B 80 9.400 -1.316 5.179 1.00 0.00 H new ATOM 1922 N ILE B 81 6.650 -6.160 3.897 1.00 0.00 N ATOM 1923 CA ILE B 81 5.688 -6.680 2.933 1.00 0.00 C ATOM 1924 C ILE B 81 4.790 -7.743 3.568 1.00 0.00 C ATOM 1925 O ILE B 81 3.591 -7.797 3.291 1.00 0.00 O ATOM 1926 CB ILE B 81 6.401 -7.259 1.689 1.00 0.00 C ATOM 1927 CG1 ILE B 81 7.165 -6.153 0.953 1.00 0.00 C ATOM 1928 CG2 ILE B 81 5.410 -7.937 0.752 1.00 0.00 C ATOM 1929 CD1 ILE B 81 6.284 -5.037 0.427 1.00 0.00 C ATOM 0 H ILE B 81 7.624 -6.359 3.668 1.00 0.00 H new ATOM 0 HA ILE B 81 5.063 -5.846 2.615 1.00 0.00 H new ATOM 0 HB ILE B 81 7.112 -8.013 2.026 1.00 0.00 H new ATOM 0 HG12 ILE B 81 7.907 -5.728 1.628 1.00 0.00 H new ATOM 0 HG13 ILE B 81 7.709 -6.596 0.119 1.00 0.00 H new ATOM 0 HG21 ILE B 81 5.941 -8.334 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE B 81 4.911 -8.752 1.277 1.00 0.00 H new ATOM 0 HG23 ILE B 81 4.668 -7.211 0.420 1.00 0.00 H new ATOM 0 HD11 ILE B 81 6.901 -4.295 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE B 81 5.558 -5.447 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE B 81 5.759 -4.566 1.258 1.00 0.00 H new ATOM 1941 N LYS B 82 5.368 -8.574 4.432 1.00 0.00 N ATOM 1942 CA LYS B 82 4.598 -9.590 5.144 1.00 0.00 C ATOM 1943 C LYS B 82 3.542 -8.910 6.011 1.00 0.00 C ATOM 1944 O LYS B 82 2.361 -9.264 5.970 1.00 0.00 O ATOM 1945 CB LYS B 82 5.534 -10.453 6.009 1.00 0.00 C ATOM 1946 CG LYS B 82 4.937 -11.784 6.472 1.00 0.00 C ATOM 1947 CD LYS B 82 3.851 -11.616 7.531 1.00 0.00 C ATOM 1948 CE LYS B 82 4.409 -11.115 8.856 1.00 0.00 C ATOM 1949 NZ LYS B 82 5.324 -12.103 9.486 1.00 0.00 N ATOM 0 H LYS B 82 6.363 -8.564 4.655 1.00 0.00 H new ATOM 0 HA LYS B 82 4.101 -10.241 4.424 1.00 0.00 H new ATOM 0 HB2 LYS B 82 6.443 -10.656 5.443 1.00 0.00 H new ATOM 0 HB3 LYS B 82 5.827 -9.878 6.887 1.00 0.00 H new ATOM 0 HG2 LYS B 82 4.520 -12.307 5.612 1.00 0.00 H new ATOM 0 HG3 LYS B 82 5.732 -12.413 6.872 1.00 0.00 H new ATOM 0 HD2 LYS B 82 3.098 -10.916 7.168 1.00 0.00 H new ATOM 0 HD3 LYS B 82 3.349 -12.571 7.688 1.00 0.00 H new ATOM 0 HE2 LYS B 82 4.943 -10.179 8.693 1.00 0.00 H new ATOM 0 HE3 LYS B 82 3.586 -10.898 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 5.506 -11.828 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 4.885 -13.045 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 6.222 -12.128 8.962 1.00 0.00 H new ATOM 1963 N LYS B 83 3.984 -7.923 6.781 1.00 0.00 N ATOM 1964 CA LYS B 83 3.103 -7.165 7.660 1.00 0.00 C ATOM 1965 C LYS B 83 2.070 -6.390 6.846 1.00 0.00 C ATOM 1966 O LYS B 83 0.913 -6.263 7.248 1.00 0.00 O ATOM 1967 CB LYS B 83 3.939 -6.210 8.515 1.00 0.00 C ATOM 1968 CG LYS B 83 3.137 -5.398 9.516 1.00 0.00 C ATOM 1969 CD LYS B 83 4.050 -4.527 10.362 1.00 0.00 C ATOM 1970 CE LYS B 83 3.270 -3.720 11.385 1.00 0.00 C ATOM 1971 NZ LYS B 83 4.168 -2.913 12.251 1.00 0.00 N ATOM 0 H LYS B 83 4.959 -7.627 6.814 1.00 0.00 H new ATOM 0 HA LYS B 83 2.568 -7.855 8.312 1.00 0.00 H new ATOM 0 HB2 LYS B 83 4.691 -6.787 9.053 1.00 0.00 H new ATOM 0 HB3 LYS B 83 4.474 -5.526 7.856 1.00 0.00 H new ATOM 0 HG2 LYS B 83 2.417 -4.772 8.989 1.00 0.00 H new ATOM 0 HG3 LYS B 83 2.567 -6.067 10.160 1.00 0.00 H new ATOM 0 HD2 LYS B 83 4.780 -5.155 10.874 1.00 0.00 H new ATOM 0 HD3 LYS B 83 4.609 -3.851 9.715 1.00 0.00 H new ATOM 0 HE2 LYS B 83 2.571 -3.060 10.871 1.00 0.00 H new ATOM 0 HE3 LYS B 83 2.677 -4.393 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 3.599 -2.376 12.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 4.819 -3.544 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 4.716 -2.253 11.663 1.00 0.00 H new ATOM 1985 N PHE B 84 2.503 -5.885 5.699 1.00 0.00 N ATOM 1986 CA PHE B 84 1.633 -5.146 4.797 1.00 0.00 C ATOM 1987 C PHE B 84 0.480 -6.034 4.337 1.00 0.00 C ATOM 1988 O PHE B 84 -0.689 -5.675 4.482 1.00 0.00 O ATOM 1989 CB PHE B 84 2.436 -4.654 3.587 1.00 0.00 C ATOM 1990 CG PHE B 84 1.971 -3.338 3.030 1.00 0.00 C ATOM 1991 CD1 PHE B 84 2.755 -2.202 3.169 1.00 0.00 C ATOM 1992 CD2 PHE B 84 0.760 -3.232 2.369 1.00 0.00 C ATOM 1993 CE1 PHE B 84 2.338 -0.988 2.658 1.00 0.00 C ATOM 1994 CE2 PHE B 84 0.337 -2.021 1.856 1.00 0.00 C ATOM 1995 CZ PHE B 84 1.127 -0.897 2.000 1.00 0.00 C ATOM 0 H PHE B 84 3.464 -5.976 5.369 1.00 0.00 H new ATOM 0 HA PHE B 84 1.223 -4.285 5.324 1.00 0.00 H new ATOM 0 HB2 PHE B 84 3.484 -4.564 3.873 1.00 0.00 H new ATOM 0 HB3 PHE B 84 2.384 -5.407 2.801 1.00 0.00 H new ATOM 0 HD1 PHE B 84 3.703 -2.267 3.683 1.00 0.00 H new ATOM 0 HD2 PHE B 84 0.138 -4.107 2.253 1.00 0.00 H new ATOM 0 HE1 PHE B 84 2.958 -0.111 2.773 1.00 0.00 H new ATOM 0 HE2 PHE B 84 -0.611 -1.953 1.343 1.00 0.00 H new ATOM 0 HZ PHE B 84 0.799 0.051 1.599 1.00 0.00 H new ATOM 2005 N LYS B 85 0.822 -7.208 3.810 1.00 0.00 N ATOM 2006 CA LYS B 85 -0.175 -8.162 3.332 1.00 0.00 C ATOM 2007 C LYS B 85 -1.094 -8.604 4.467 1.00 0.00 C ATOM 2008 O LYS B 85 -2.296 -8.802 4.266 1.00 0.00 O ATOM 2009 CB LYS B 85 0.500 -9.389 2.720 1.00 0.00 C ATOM 2010 CG LYS B 85 1.344 -9.096 1.491 1.00 0.00 C ATOM 2011 CD LYS B 85 1.898 -10.381 0.897 1.00 0.00 C ATOM 2012 CE LYS B 85 2.710 -10.123 -0.360 1.00 0.00 C ATOM 2013 NZ LYS B 85 3.227 -11.387 -0.950 1.00 0.00 N ATOM 0 H LYS B 85 1.787 -7.522 3.703 1.00 0.00 H new ATOM 0 HA LYS B 85 -0.770 -7.662 2.568 1.00 0.00 H new ATOM 0 HB2 LYS B 85 1.131 -9.856 3.476 1.00 0.00 H new ATOM 0 HB3 LYS B 85 -0.268 -10.115 2.453 1.00 0.00 H new ATOM 0 HG2 LYS B 85 0.741 -8.576 0.746 1.00 0.00 H new ATOM 0 HG3 LYS B 85 2.165 -8.430 1.758 1.00 0.00 H new ATOM 0 HD2 LYS B 85 2.523 -10.882 1.636 1.00 0.00 H new ATOM 0 HD3 LYS B 85 1.075 -11.057 0.665 1.00 0.00 H new ATOM 0 HE2 LYS B 85 2.091 -9.606 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS B 85 3.545 -9.463 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 4.221 -11.259 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 3.160 -12.151 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 2.662 -11.636 -1.787 1.00 0.00 H new ATOM 2027 N LYS B 86 -0.513 -8.762 5.651 1.00 0.00 N ATOM 2028 CA LYS B 86 -1.259 -9.146 6.842 1.00 0.00 C ATOM 2029 C LYS B 86 -2.383 -8.154 7.126 1.00 0.00 C ATOM 2030 O LYS B 86 -3.560 -8.525 7.187 1.00 0.00 O ATOM 2031 CB LYS B 86 -0.313 -9.215 8.044 1.00 0.00 C ATOM 2032 CG LYS B 86 -1.027 -9.246 9.384 1.00 0.00 C ATOM 2033 CD LYS B 86 -0.069 -8.968 10.526 1.00 0.00 C ATOM 2034 CE LYS B 86 -0.814 -8.596 11.795 1.00 0.00 C ATOM 2035 NZ LYS B 86 -1.674 -7.397 11.598 1.00 0.00 N ATOM 0 H LYS B 86 0.485 -8.628 5.811 1.00 0.00 H new ATOM 0 HA LYS B 86 -1.703 -10.126 6.669 1.00 0.00 H new ATOM 0 HB2 LYS B 86 0.310 -10.105 7.954 1.00 0.00 H new ATOM 0 HB3 LYS B 86 0.355 -8.354 8.019 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -1.827 -8.506 9.389 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -1.494 -10.221 9.527 1.00 0.00 H new ATOM 0 HD2 LYS B 86 0.547 -9.848 10.709 1.00 0.00 H new ATOM 0 HD3 LYS B 86 0.606 -8.159 10.248 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -1.430 -9.437 12.115 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -0.098 -8.403 12.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -1.811 -6.914 12.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -1.216 -6.748 10.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -2.597 -7.690 11.220 1.00 0.00 H new ATOM 2049 N ASP B 87 -2.015 -6.892 7.288 1.00 0.00 N ATOM 2050 CA ASP B 87 -2.979 -5.853 7.617 1.00 0.00 C ATOM 2051 C ASP B 87 -3.954 -5.622 6.468 1.00 0.00 C ATOM 2052 O ASP B 87 -5.108 -5.267 6.694 1.00 0.00 O ATOM 2053 CB ASP B 87 -2.266 -4.555 7.996 1.00 0.00 C ATOM 2054 CG ASP B 87 -1.912 -4.494 9.472 1.00 0.00 C ATOM 2055 OD1 ASP B 87 -1.127 -5.344 9.949 1.00 0.00 O ATOM 2056 OD2 ASP B 87 -2.409 -3.581 10.163 1.00 0.00 O ATOM 0 H ASP B 87 -1.054 -6.562 7.197 1.00 0.00 H new ATOM 0 HA ASP B 87 -3.555 -6.190 8.479 1.00 0.00 H new ATOM 0 HB2 ASP B 87 -1.356 -4.458 7.403 1.00 0.00 H new ATOM 0 HB3 ASP B 87 -2.903 -3.707 7.743 1.00 0.00 H new ATOM 2061 N LEU B 88 -3.497 -5.843 5.237 1.00 0.00 N ATOM 2062 CA LEU B 88 -4.379 -5.756 4.075 1.00 0.00 C ATOM 2063 C LEU B 88 -5.505 -6.775 4.186 1.00 0.00 C ATOM 2064 O LEU B 88 -6.664 -6.467 3.920 1.00 0.00 O ATOM 2065 CB LEU B 88 -3.611 -5.992 2.772 1.00 0.00 C ATOM 2066 CG LEU B 88 -2.651 -4.880 2.350 1.00 0.00 C ATOM 2067 CD1 LEU B 88 -1.960 -5.255 1.049 1.00 0.00 C ATOM 2068 CD2 LEU B 88 -3.389 -3.557 2.200 1.00 0.00 C ATOM 0 H LEU B 88 -2.530 -6.082 5.019 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.796 -4.749 4.056 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -3.043 -6.917 2.870 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.333 -6.145 1.970 1.00 0.00 H new ATOM 0 HG LEU B 88 -1.897 -4.759 3.127 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.278 -4.457 0.756 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.399 -6.179 1.188 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.707 -5.398 0.268 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.686 -2.780 1.899 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -4.165 -3.657 1.441 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.845 -3.285 3.152 1.00 0.00 H new ATOM 2080 N ALA B 89 -5.150 -7.988 4.596 1.00 0.00 N ATOM 2081 CA ALA B 89 -6.123 -9.058 4.765 1.00 0.00 C ATOM 2082 C ALA B 89 -7.132 -8.703 5.850 1.00 0.00 C ATOM 2083 O ALA B 89 -8.320 -9.014 5.736 1.00 0.00 O ATOM 2084 CB ALA B 89 -5.418 -10.360 5.102 1.00 0.00 C ATOM 0 H ALA B 89 -4.191 -8.254 4.818 1.00 0.00 H new ATOM 0 HA ALA B 89 -6.663 -9.185 3.826 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -6.156 -11.152 5.226 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -4.735 -10.624 4.294 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -4.856 -10.240 6.028 1.00 0.00 H new ATOM 2090 N ALA B 90 -6.649 -8.041 6.894 1.00 0.00 N ATOM 2091 CA ALA B 90 -7.506 -7.602 7.986 1.00 0.00 C ATOM 2092 C ALA B 90 -8.487 -6.538 7.508 1.00 0.00 C ATOM 2093 O ALA B 90 -9.694 -6.644 7.740 1.00 0.00 O ATOM 2094 CB ALA B 90 -6.665 -7.075 9.140 1.00 0.00 C ATOM 0 H ALA B 90 -5.665 -7.796 7.007 1.00 0.00 H new ATOM 0 HA ALA B 90 -8.080 -8.459 8.338 1.00 0.00 H new ATOM 0 HB1 ALA B 90 -7.320 -6.751 9.949 1.00 0.00 H new ATOM 0 HB2 ALA B 90 -6.007 -7.865 9.501 1.00 0.00 H new ATOM 0 HB3 ALA B 90 -6.066 -6.231 8.798 1.00 0.00 H new ATOM 2100 N MET B 91 -7.963 -5.523 6.823 1.00 0.00 N ATOM 2101 CA MET B 91 -8.790 -4.436 6.302 1.00 0.00 C ATOM 2102 C MET B 91 -9.817 -4.979 5.314 1.00 0.00 C ATOM 2103 O MET B 91 -10.963 -4.530 5.281 1.00 0.00 O ATOM 2104 CB MET B 91 -7.922 -3.372 5.617 1.00 0.00 C ATOM 2105 CG MET B 91 -6.830 -2.794 6.508 1.00 0.00 C ATOM 2106 SD MET B 91 -7.471 -1.980 7.986 1.00 0.00 S ATOM 2107 CE MET B 91 -8.263 -0.543 7.273 1.00 0.00 C ATOM 0 H MET B 91 -6.969 -5.431 6.616 1.00 0.00 H new ATOM 0 HA MET B 91 -9.311 -3.974 7.141 1.00 0.00 H new ATOM 0 HB2 MET B 91 -7.460 -3.810 4.732 1.00 0.00 H new ATOM 0 HB3 MET B 91 -8.564 -2.561 5.274 1.00 0.00 H new ATOM 0 HG2 MET B 91 -6.153 -3.594 6.807 1.00 0.00 H new ATOM 0 HG3 MET B 91 -6.243 -2.078 5.933 1.00 0.00 H new ATOM 0 HE1 MET B 91 -8.896 -0.068 8.022 1.00 0.00 H new ATOM 0 HE2 MET B 91 -7.503 0.163 6.939 1.00 0.00 H new ATOM 0 HE3 MET B 91 -8.873 -0.848 6.423 1.00 0.00 H new ATOM 2117 N LEU B 92 -9.393 -5.958 4.522 1.00 0.00 N ATOM 2118 CA LEU B 92 -10.267 -6.620 3.561 1.00 0.00 C ATOM 2119 C LEU B 92 -11.450 -7.279 4.258 1.00 0.00 C ATOM 2120 O LEU B 92 -12.597 -7.159 3.819 1.00 0.00 O ATOM 2121 CB LEU B 92 -9.483 -7.678 2.783 1.00 0.00 C ATOM 2122 CG LEU B 92 -10.315 -8.532 1.824 1.00 0.00 C ATOM 2123 CD1 LEU B 92 -10.999 -7.660 0.786 1.00 0.00 C ATOM 2124 CD2 LEU B 92 -9.440 -9.579 1.153 1.00 0.00 C ATOM 0 H LEU B 92 -8.437 -6.314 4.528 1.00 0.00 H new ATOM 0 HA LEU B 92 -10.646 -5.863 2.874 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -8.699 -7.180 2.213 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -8.989 -8.338 3.496 1.00 0.00 H new ATOM 0 HG LEU B 92 -11.087 -9.044 2.399 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -11.585 -8.286 0.114 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -11.657 -6.948 1.285 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -10.246 -7.118 0.213 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -10.046 -10.179 0.474 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -8.647 -9.085 0.592 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -8.999 -10.225 1.912 1.00 0.00 H new ATOM 2136 N ARG B 93 -11.167 -7.975 5.347 1.00 0.00 N ATOM 2137 CA ARG B 93 -12.191 -8.675 6.082 1.00 0.00 C ATOM 2138 C ARG B 93 -13.193 -7.690 6.676 1.00 0.00 C ATOM 2139 O ARG B 93 -14.374 -8.008 6.817 1.00 0.00 O ATOM 2140 CB ARG B 93 -11.552 -9.529 7.175 1.00 0.00 C ATOM 2141 CG ARG B 93 -12.513 -10.518 7.788 1.00 0.00 C ATOM 2142 CD ARG B 93 -11.833 -11.409 8.812 1.00 0.00 C ATOM 2143 NE ARG B 93 -12.727 -12.463 9.291 1.00 0.00 N ATOM 2144 CZ ARG B 93 -12.407 -13.345 10.235 1.00 0.00 C ATOM 2145 NH1 ARG B 93 -11.232 -13.275 10.849 1.00 0.00 N ATOM 2146 NH2 ARG B 93 -13.272 -14.291 10.577 1.00 0.00 N ATOM 0 H ARG B 93 -10.229 -8.066 5.738 1.00 0.00 H new ATOM 0 HA ARG B 93 -12.732 -9.331 5.400 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -10.702 -10.068 6.757 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -11.162 -8.877 7.957 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -13.334 -9.980 8.263 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -12.949 -11.135 7.002 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -10.944 -11.859 8.370 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -11.498 -10.805 9.655 1.00 0.00 H new ATOM 0 HE ARG B 93 -13.656 -12.526 8.875 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -10.568 -12.542 10.598 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -10.993 -13.954 11.572 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -14.181 -14.342 10.117 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -13.028 -14.968 11.300 1.00 0.00 H new ATOM 2160 N ILE B 94 -12.725 -6.488 7.001 1.00 0.00 N ATOM 2161 CA ILE B 94 -13.611 -5.448 7.505 1.00 0.00 C ATOM 2162 C ILE B 94 -14.514 -4.929 6.386 1.00 0.00 C ATOM 2163 O ILE B 94 -15.676 -4.603 6.626 1.00 0.00 O ATOM 2164 CB ILE B 94 -12.842 -4.267 8.129 1.00 0.00 C ATOM 2165 CG1 ILE B 94 -11.750 -4.774 9.071 1.00 0.00 C ATOM 2166 CG2 ILE B 94 -13.810 -3.368 8.889 1.00 0.00 C ATOM 2167 CD1 ILE B 94 -10.857 -3.680 9.616 1.00 0.00 C ATOM 0 H ILE B 94 -11.746 -6.213 6.925 1.00 0.00 H new ATOM 0 HA ILE B 94 -14.214 -5.905 8.290 1.00 0.00 H new ATOM 0 HB ILE B 94 -12.370 -3.695 7.330 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -12.217 -5.298 9.905 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -11.135 -5.502 8.541 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -13.263 -2.534 9.329 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -14.566 -2.985 8.203 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -14.295 -3.941 9.679 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -10.108 -4.117 10.276 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -10.361 -3.170 8.790 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -11.459 -2.964 10.175 1.00 0.00 H new ATOM 2179 N ILE B 95 -13.980 -4.861 5.161 1.00 0.00 N ATOM 2180 CA ILE B 95 -14.789 -4.510 3.992 1.00 0.00 C ATOM 2181 C ILE B 95 -15.997 -5.438 3.916 1.00 0.00 C ATOM 2182 O ILE B 95 -17.138 -4.999 3.770 1.00 0.00 O ATOM 2183 CB ILE B 95 -14.007 -4.649 2.661 1.00 0.00 C ATOM 2184 CG1 ILE B 95 -12.743 -3.795 2.665 1.00 0.00 C ATOM 2185 CG2 ILE B 95 -14.895 -4.240 1.498 1.00 0.00 C ATOM 2186 CD1 ILE B 95 -13.018 -2.325 2.460 1.00 0.00 C ATOM 0 H ILE B 95 -12.998 -5.043 4.956 1.00 0.00 H new ATOM 0 HA ILE B 95 -15.083 -3.468 4.115 1.00 0.00 H new ATOM 0 HB ILE B 95 -13.711 -5.692 2.552 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.223 -3.932 3.613 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.073 -4.146 1.880 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -14.341 -4.339 0.565 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -15.775 -4.883 1.468 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.208 -3.204 1.626 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.078 -1.774 2.473 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.511 -2.178 1.499 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.664 -1.961 3.259 1.00 0.00 H new ATOM 2198 N ASN B 96 -15.726 -6.733 4.043 1.00 0.00 N ATOM 2199 CA ASN B 96 -16.767 -7.751 3.949 1.00 0.00 C ATOM 2200 C ASN B 96 -17.628 -7.777 5.211 1.00 0.00 C ATOM 2201 O ASN B 96 -18.763 -8.247 5.185 1.00 0.00 O ATOM 2202 CB ASN B 96 -16.139 -9.128 3.710 1.00 0.00 C ATOM 2203 CG ASN B 96 -17.162 -10.209 3.391 1.00 0.00 C ATOM 2204 OD1 ASN B 96 -18.192 -9.863 2.630 1.00 0.00 O flip ATOM 2205 ND2 ASN B 96 -17.014 -11.355 3.810 1.00 0.00 N flip ATOM 0 H ASN B 96 -14.791 -7.103 4.212 1.00 0.00 H new ATOM 0 HA ASN B 96 -17.410 -7.501 3.105 1.00 0.00 H new ATOM 0 HB2 ASN B 96 -15.427 -9.057 2.888 1.00 0.00 H new ATOM 0 HB3 ASN B 96 -15.575 -9.421 4.596 1.00 0.00 H new ATOM 0 HD21 ASN B 96 -16.209 -11.585 4.393 1.00 0.00 H new ATOM 0 HD22 ASN B 96 -17.696 -12.076 3.575 1.00 0.00 H new ATOM 2212 N ALA B 97 -17.089 -7.280 6.315 1.00 0.00 N ATOM 2213 CA ALA B 97 -17.860 -7.162 7.546 1.00 0.00 C ATOM 2214 C ALA B 97 -18.955 -6.124 7.375 1.00 0.00 C ATOM 2215 O ALA B 97 -20.072 -6.284 7.868 1.00 0.00 O ATOM 2216 CB ALA B 97 -16.964 -6.781 8.708 1.00 0.00 C ATOM 0 H ALA B 97 -16.125 -6.953 6.385 1.00 0.00 H new ATOM 0 HA ALA B 97 -18.312 -8.130 7.762 1.00 0.00 H new ATOM 0 HB1 ALA B 97 -17.561 -6.699 9.616 1.00 0.00 H new ATOM 0 HB2 ALA B 97 -16.200 -7.546 8.844 1.00 0.00 H new ATOM 0 HB3 ALA B 97 -16.486 -5.824 8.500 1.00 0.00 H new ATOM 2222 N ARG B 98 -18.620 -5.065 6.656 1.00 0.00 N ATOM 2223 CA ARG B 98 -19.569 -4.008 6.353 1.00 0.00 C ATOM 2224 C ARG B 98 -20.087 -4.187 4.933 1.00 0.00 C ATOM 2225 O ARG B 98 -20.234 -3.226 4.175 1.00 0.00 O ATOM 2226 CB ARG B 98 -18.917 -2.630 6.538 1.00 0.00 C ATOM 2227 CG ARG B 98 -17.668 -2.413 5.699 1.00 0.00 C ATOM 2228 CD ARG B 98 -16.946 -1.135 6.090 1.00 0.00 C ATOM 2229 NE ARG B 98 -17.756 0.059 5.848 1.00 0.00 N ATOM 2230 CZ ARG B 98 -17.561 1.228 6.462 1.00 0.00 C ATOM 2231 NH1 ARG B 98 -16.644 1.335 7.418 1.00 0.00 N ATOM 2232 NH2 ARG B 98 -18.296 2.284 6.126 1.00 0.00 N ATOM 0 H ARG B 98 -17.689 -4.915 6.268 1.00 0.00 H new ATOM 0 HA ARG B 98 -20.411 -4.067 7.042 1.00 0.00 H new ATOM 0 HB2 ARG B 98 -19.646 -1.859 6.289 1.00 0.00 H new ATOM 0 HB3 ARG B 98 -18.662 -2.500 7.590 1.00 0.00 H new ATOM 0 HG2 ARG B 98 -16.996 -3.263 5.820 1.00 0.00 H new ATOM 0 HG3 ARG B 98 -17.940 -2.369 4.645 1.00 0.00 H new ATOM 0 HD2 ARG B 98 -16.677 -1.181 7.145 1.00 0.00 H new ATOM 0 HD3 ARG B 98 -16.015 -1.060 5.527 1.00 0.00 H new ATOM 0 HE ARG B 98 -18.515 -0.006 5.170 1.00 0.00 H new ATOM 0 HH11 ARG B 98 -16.087 0.523 7.684 1.00 0.00 H new ATOM 0 HH12 ARG B 98 -16.497 2.229 7.886 1.00 0.00 H new ATOM 0 HH21 ARG B 98 -19.008 2.200 5.400 1.00 0.00 H new ATOM 0 HH22 ARG B 98 -18.148 3.178 6.594 1.00 0.00 H new