USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HD1:sc= 0.592 K(o=1.2,f=-0.9) USER MOD Set 1.2: A 114 SER OG : rot 69:sc= 0.593 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.0229 (180deg=-0.221) USER MOD Single : A 28 CYS SG : rot 33:sc= 0.117 USER MOD Single : A 31 ASN : amide:sc= -1.29! C(o=-1.3!,f=-2.7!) USER MOD Single : A 36 THR OG1 : rot 79:sc= 0.406 USER MOD Single : A 38 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.6) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.39) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 47:sc= 0.577 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -2.96! C(o=-3!,f=-3.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -120:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 12:sc= -1.58 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.941 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 87 ASN : amide:sc= -0.178 K(o=-0.18,f=-2) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= -1.37 (180deg=-1.56) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.0807 F(o=-0.98,f=-0.081) USER MOD Single : A 95 THR OG1 : rot 79:sc= 1.13 USER MOD Single : A 96 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.115 F(o=-2.8!,f=-0.12) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 132:sc= -0.149 (180deg=-1.54!) USER MOD Single : A 110 ASN : amide:sc= -0.274 K(o=-0.27,f=-1.6) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -21:sc= 0.452 USER MOD Single : A 120 GLN : amide:sc=-0.000884 X(o=-0.00088,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -167:sc=-0.00967 (180deg=-0.16) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.196 F(o=-0.84,f=-0.2) USER MOD Single : A 124 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.105 7.398 6.827 1.00 0.00 N ATOM 94 CA ILE A 10 -2.085 6.738 5.528 1.00 0.00 C ATOM 95 C ILE A 10 -3.330 7.082 4.717 1.00 0.00 C ATOM 96 O ILE A 10 -4.442 7.103 5.246 1.00 0.00 O ATOM 97 CB ILE A 10 -1.989 5.208 5.676 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.736 4.827 6.466 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.981 4.543 4.307 1.00 0.00 C ATOM 100 CD1 ILE A 10 -0.888 3.550 7.262 1.00 0.00 C ATOM 0 HA ILE A 10 -1.201 7.101 5.003 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.862 4.856 6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.100 4.717 5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.483 5.641 7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.913 3.462 4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.900 4.791 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.124 4.899 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.039 3.342 7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.702 3.662 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.110 2.724 6.586 1.00 0.00 H new ATOM 112 N LEU A 11 -3.136 7.349 3.431 1.00 0.00 N ATOM 113 CA LEU A 11 -4.243 7.691 2.544 1.00 0.00 C ATOM 114 C LEU A 11 -4.266 6.776 1.324 1.00 0.00 C ATOM 115 O LEU A 11 -5.330 6.347 0.877 1.00 0.00 O ATOM 116 CB LEU A 11 -4.135 9.150 2.100 1.00 0.00 C ATOM 117 CG LEU A 11 -4.374 10.202 3.183 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.801 11.545 2.760 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.860 10.326 3.487 1.00 0.00 C ATOM 0 H LEU A 11 -2.222 7.335 2.978 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.173 7.554 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.141 9.308 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.851 9.318 1.295 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.863 9.883 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.981 12.281 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.728 11.447 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.282 11.872 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.012 11.079 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.393 10.621 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.241 9.366 3.836 1.00 0.00 H new ATOM 131 N PHE A 12 -3.086 6.478 0.792 1.00 0.00 N ATOM 132 CA PHE A 12 -2.970 5.613 -0.376 1.00 0.00 C ATOM 133 C PHE A 12 -2.338 4.275 -0.001 1.00 0.00 C ATOM 134 O PHE A 12 -1.280 4.231 0.627 1.00 0.00 O ATOM 135 CB PHE A 12 -2.138 6.296 -1.463 1.00 0.00 C ATOM 136 CG PHE A 12 -2.307 5.681 -2.823 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.311 6.114 -3.674 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.463 4.669 -3.251 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.470 5.549 -4.925 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.616 4.101 -4.501 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.620 4.542 -5.340 1.00 0.00 C ATOM 0 H PHE A 12 -2.196 6.823 1.151 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.973 5.427 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.414 7.349 -1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.085 6.255 -1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.977 6.902 -3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.676 4.320 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.258 5.894 -5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.951 3.313 -4.822 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.741 4.101 -6.318 1.00 0.00 H new ATOM 151 N ALA A 13 -2.994 3.187 -0.391 1.00 0.00 N ATOM 152 CA ALA A 13 -2.497 1.849 -0.098 1.00 0.00 C ATOM 153 C ALA A 13 -2.974 0.845 -1.142 1.00 0.00 C ATOM 154 O ALA A 13 -4.167 0.555 -1.238 1.00 0.00 O ATOM 155 CB ALA A 13 -2.935 1.416 1.293 1.00 0.00 C ATOM 0 H ALA A 13 -3.871 3.206 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.408 1.878 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.557 0.415 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.539 2.112 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.024 1.410 1.346 1.00 0.00 H new ATOM 161 N VAL A 14 -2.036 0.318 -1.922 1.00 0.00 N ATOM 162 CA VAL A 14 -2.361 -0.654 -2.959 1.00 0.00 C ATOM 163 C VAL A 14 -1.339 -1.785 -2.992 1.00 0.00 C ATOM 164 O VAL A 14 -0.169 -1.588 -2.665 1.00 0.00 O ATOM 165 CB VAL A 14 -2.424 0.007 -4.348 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.118 1.359 -4.266 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.028 0.150 -4.934 1.00 0.00 C ATOM 0 H VAL A 14 -1.044 0.548 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.342 -1.062 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.007 -0.634 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.153 1.811 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.133 1.225 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.566 2.011 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.092 0.619 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.418 0.769 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.572 -0.835 -5.032 1.00 0.00 H new ATOM 177 N VAL A 15 -1.789 -2.970 -3.391 1.00 0.00 N ATOM 178 CA VAL A 15 -0.914 -4.134 -3.469 1.00 0.00 C ATOM 179 C VAL A 15 -0.598 -4.487 -4.918 1.00 0.00 C ATOM 180 O VAL A 15 -1.501 -4.687 -5.730 1.00 0.00 O ATOM 181 CB VAL A 15 -1.544 -5.358 -2.779 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.548 -6.506 -2.714 1.00 0.00 C ATOM 183 CG2 VAL A 15 -2.036 -4.990 -1.387 1.00 0.00 C ATOM 0 H VAL A 15 -2.755 -3.150 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 15 0.009 -3.871 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.401 -5.684 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.011 -7.362 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.248 -6.785 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.330 -6.194 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.478 -5.867 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.198 -4.638 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.785 -4.202 -1.462 1.00 0.00 H new ATOM 193 N ALA A 16 0.690 -4.564 -5.235 1.00 0.00 N ATOM 194 CA ALA A 16 1.126 -4.897 -6.586 1.00 0.00 C ATOM 195 C ALA A 16 2.408 -5.721 -6.562 1.00 0.00 C ATOM 196 O ALA A 16 3.365 -5.379 -5.866 1.00 0.00 O ATOM 197 CB ALA A 16 1.326 -3.629 -7.403 1.00 0.00 C ATOM 0 H ALA A 16 1.450 -4.400 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 16 0.348 -5.499 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.651 -3.892 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.386 -3.079 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.084 -3.006 -6.928 1.00 0.00 H new ATOM 203 N ARG A 17 2.421 -6.809 -7.325 1.00 0.00 N ATOM 204 CA ARG A 17 3.586 -7.683 -7.390 1.00 0.00 C ATOM 205 C ARG A 17 4.517 -7.266 -8.524 1.00 0.00 C ATOM 206 O ARG A 17 4.340 -7.679 -9.670 1.00 0.00 O ATOM 207 CB ARG A 17 3.149 -9.137 -7.582 1.00 0.00 C ATOM 208 CG ARG A 17 2.028 -9.307 -8.594 1.00 0.00 C ATOM 209 CD ARG A 17 1.747 -10.775 -8.873 1.00 0.00 C ATOM 210 NE ARG A 17 2.896 -11.447 -9.473 1.00 0.00 N ATOM 211 CZ ARG A 17 2.810 -12.590 -10.146 1.00 0.00 C ATOM 212 NH1 ARG A 17 1.635 -13.183 -10.303 1.00 0.00 N ATOM 213 NH2 ARG A 17 3.901 -13.140 -10.663 1.00 0.00 N ATOM 0 H ARG A 17 1.638 -7.106 -7.907 1.00 0.00 H new ATOM 0 HA ARG A 17 4.128 -7.595 -6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.008 -9.727 -7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.825 -9.540 -6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.123 -8.827 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.296 -8.804 -9.523 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.479 -11.276 -7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.889 -10.860 -9.539 1.00 0.00 H new ATOM 0 HE ARG A 17 3.815 -11.016 -9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.794 -12.762 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.571 -14.060 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.806 -12.686 -10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.834 -14.017 -11.179 1.00 0.00 H new ATOM 227 N GLY A 18 5.509 -6.444 -8.197 1.00 0.00 N ATOM 228 CA GLY A 18 6.453 -5.984 -9.199 1.00 0.00 C ATOM 229 C GLY A 18 5.923 -4.811 -9.999 1.00 0.00 C ATOM 230 O GLY A 18 6.189 -3.654 -9.671 1.00 0.00 O ATOM 0 H GLY A 18 5.676 -6.088 -7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.384 -5.696 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.688 -6.805 -9.876 1.00 0.00 H new ATOM 234 N THR A 19 5.170 -5.108 -11.054 1.00 0.00 N ATOM 235 CA THR A 19 4.604 -4.069 -11.906 1.00 0.00 C ATOM 236 C THR A 19 3.115 -4.300 -12.138 1.00 0.00 C ATOM 237 O THR A 19 2.436 -3.474 -12.749 1.00 0.00 O ATOM 238 CB THR A 19 5.321 -4.007 -13.268 1.00 0.00 C ATOM 239 OG1 THR A 19 5.780 -5.311 -13.640 1.00 0.00 O ATOM 240 CG2 THR A 19 6.497 -3.044 -13.217 1.00 0.00 C ATOM 0 H THR A 19 4.938 -6.060 -11.339 1.00 0.00 H new ATOM 0 HA THR A 19 4.745 -3.121 -11.386 1.00 0.00 H new ATOM 0 HB THR A 19 4.610 -3.647 -14.012 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.233 -5.263 -14.508 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.988 -3.017 -14.190 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.139 -2.046 -12.963 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.208 -3.378 -12.461 1.00 0.00 H new ATOM 248 N THR A 20 2.612 -5.428 -11.646 1.00 0.00 N ATOM 249 CA THR A 20 1.203 -5.767 -11.800 1.00 0.00 C ATOM 250 C THR A 20 0.390 -5.297 -10.600 1.00 0.00 C ATOM 251 O THR A 20 0.639 -5.713 -9.468 1.00 0.00 O ATOM 252 CB THR A 20 1.007 -7.285 -11.976 1.00 0.00 C ATOM 253 OG1 THR A 20 1.878 -7.776 -13.000 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.436 -7.606 -12.333 1.00 0.00 C ATOM 0 H THR A 20 3.160 -6.122 -11.138 1.00 0.00 H new ATOM 0 HA THR A 20 0.851 -5.256 -12.696 1.00 0.00 H new ATOM 0 HB THR A 20 1.248 -7.772 -11.031 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.748 -8.742 -13.104 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.550 -8.683 -12.452 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.094 -7.257 -11.537 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.699 -7.108 -13.266 1.00 0.00 H new ATOM 262 N ILE A 21 -0.584 -4.429 -10.854 1.00 0.00 N ATOM 263 CA ILE A 21 -1.435 -3.904 -9.794 1.00 0.00 C ATOM 264 C ILE A 21 -2.600 -4.844 -9.508 1.00 0.00 C ATOM 265 O ILE A 21 -3.665 -4.735 -10.119 1.00 0.00 O ATOM 266 CB ILE A 21 -1.988 -2.512 -10.153 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.848 -1.573 -10.550 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.774 -1.937 -8.984 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.316 -0.321 -11.260 1.00 0.00 C ATOM 0 H ILE A 21 -0.803 -4.075 -11.785 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.813 -3.819 -8.903 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.662 -2.613 -11.004 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.294 -1.288 -9.655 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.154 -2.110 -11.197 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.158 -0.953 -9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.606 -2.599 -8.745 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.121 -1.847 -8.116 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.455 0.298 -11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.844 -0.596 -12.173 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.986 0.238 -10.607 1.00 0.00 H new ATOM 281 N LEU A 22 -2.394 -5.767 -8.575 1.00 0.00 N ATOM 282 CA LEU A 22 -3.429 -6.727 -8.206 1.00 0.00 C ATOM 283 C LEU A 22 -4.657 -6.015 -7.646 1.00 0.00 C ATOM 284 O LEU A 22 -5.775 -6.227 -8.113 1.00 0.00 O ATOM 285 CB LEU A 22 -2.887 -7.719 -7.176 1.00 0.00 C ATOM 286 CG LEU A 22 -1.989 -8.830 -7.721 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.219 -9.497 -6.593 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.814 -9.856 -8.485 1.00 0.00 C ATOM 0 H LEU A 22 -1.520 -5.871 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.724 -7.270 -9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.327 -7.162 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.733 -8.180 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.271 -8.384 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.586 -10.285 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.598 -8.757 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.921 -9.929 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.159 -10.639 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.556 -10.296 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.319 -9.369 -9.319 1.00 0.00 H new ATOM 300 N ALA A 23 -4.439 -5.169 -6.645 1.00 0.00 N ATOM 301 CA ALA A 23 -5.527 -4.423 -6.025 1.00 0.00 C ATOM 302 C ALA A 23 -5.093 -3.002 -5.682 1.00 0.00 C ATOM 303 O ALA A 23 -3.913 -2.742 -5.445 1.00 0.00 O ATOM 304 CB ALA A 23 -6.017 -5.143 -4.777 1.00 0.00 C ATOM 0 H ALA A 23 -3.519 -4.983 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.346 -4.362 -6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.829 -4.575 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.376 -6.136 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.197 -5.235 -4.064 1.00 0.00 H new ATOM 310 N LYS A 24 -6.054 -2.084 -5.660 1.00 0.00 N ATOM 311 CA LYS A 24 -5.772 -0.689 -5.346 1.00 0.00 C ATOM 312 C LYS A 24 -6.994 -0.010 -4.736 1.00 0.00 C ATOM 313 O LYS A 24 -8.117 -0.191 -5.208 1.00 0.00 O ATOM 314 CB LYS A 24 -5.335 0.061 -6.606 1.00 0.00 C ATOM 315 CG LYS A 24 -6.289 -0.109 -7.776 1.00 0.00 C ATOM 316 CD LYS A 24 -6.050 0.941 -8.848 1.00 0.00 C ATOM 317 CE LYS A 24 -7.007 0.772 -10.018 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.426 0.953 -9.604 1.00 0.00 N ATOM 0 H LYS A 24 -7.035 -2.282 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.963 -0.664 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.243 1.122 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.345 -0.287 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.166 -1.103 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.317 -0.040 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.171 1.935 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.022 0.871 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.761 1.495 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.879 -0.220 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.024 1.050 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.735 0.126 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.511 1.809 -9.020 1.00 0.00 H new ATOM 332 N HIS A 25 -6.769 0.772 -3.685 1.00 0.00 N ATOM 333 CA HIS A 25 -7.853 1.480 -3.012 1.00 0.00 C ATOM 334 C HIS A 25 -7.309 2.624 -2.162 1.00 0.00 C ATOM 335 O HIS A 25 -6.667 2.398 -1.137 1.00 0.00 O ATOM 336 CB HIS A 25 -8.654 0.515 -2.137 1.00 0.00 C ATOM 337 CG HIS A 25 -9.917 1.108 -1.593 1.00 0.00 C ATOM 338 ND1 HIS A 25 -11.148 0.930 -2.187 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.134 1.879 -0.502 1.00 0.00 C ATOM 340 CE1 HIS A 25 -12.069 1.568 -1.485 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.480 2.151 -0.457 1.00 0.00 N ATOM 0 H HIS A 25 -5.846 0.932 -3.281 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.510 1.898 -3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.901 -0.372 -2.720 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.029 0.187 -1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.388 2.217 0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.124 1.606 -1.714 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.948 2.712 0.255 1.00 0.00 H new ATOM 350 N ALA A 26 -7.571 3.853 -2.596 1.00 0.00 N ATOM 351 CA ALA A 26 -7.109 5.032 -1.874 1.00 0.00 C ATOM 352 C ALA A 26 -8.251 6.017 -1.644 1.00 0.00 C ATOM 353 O ALA A 26 -9.313 5.903 -2.255 1.00 0.00 O ATOM 354 CB ALA A 26 -5.974 5.704 -2.633 1.00 0.00 C ATOM 0 H ALA A 26 -8.100 4.058 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.740 4.710 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.639 6.583 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.145 5.005 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.325 6.006 -3.620 1.00 0.00 H new ATOM 360 N TRP A 27 -8.024 6.981 -0.760 1.00 0.00 N ATOM 361 CA TRP A 27 -9.035 7.985 -0.449 1.00 0.00 C ATOM 362 C TRP A 27 -9.195 8.972 -1.600 1.00 0.00 C ATOM 363 O TRP A 27 -8.273 9.170 -2.392 1.00 0.00 O ATOM 364 CB TRP A 27 -8.663 8.734 0.832 1.00 0.00 C ATOM 365 CG TRP A 27 -8.886 7.929 2.077 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.197 6.816 2.468 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.866 8.174 3.091 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.690 6.355 3.664 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.713 7.170 4.068 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.855 9.144 3.271 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.515 7.111 5.205 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.651 9.083 4.399 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.476 8.073 5.355 1.00 0.00 C ATOM 0 H TRP A 27 -7.150 7.089 -0.246 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.985 7.472 -0.299 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.615 9.028 0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.249 9.651 0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.384 6.365 1.918 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.349 5.537 4.170 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.995 9.928 2.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.383 6.333 5.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.421 9.826 4.546 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.112 8.054 6.227 1.00 0.00 H new ATOM 384 N CYS A 28 -10.369 9.587 -1.688 1.00 0.00 N ATOM 385 CA CYS A 28 -10.649 10.553 -2.744 1.00 0.00 C ATOM 386 C CYS A 28 -9.941 11.877 -2.472 1.00 0.00 C ATOM 387 O CYS A 28 -10.224 12.551 -1.483 1.00 0.00 O ATOM 388 CB CYS A 28 -12.156 10.782 -2.867 1.00 0.00 C ATOM 389 SG CYS A 28 -12.946 11.336 -1.338 1.00 0.00 S ATOM 0 H CYS A 28 -11.142 9.434 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.273 10.147 -3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.338 11.522 -3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.628 9.855 -3.192 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.119 12.083 -0.668 1.00 0.00 H new ATOM 395 N GLY A 29 -9.018 12.241 -3.357 1.00 0.00 N ATOM 396 CA GLY A 29 -8.283 13.482 -3.193 1.00 0.00 C ATOM 397 C GLY A 29 -7.415 13.804 -4.393 1.00 0.00 C ATOM 398 O GLY A 29 -7.495 14.897 -4.951 1.00 0.00 O ATOM 0 H GLY A 29 -8.766 11.699 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.986 14.298 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.657 13.415 -2.303 1.00 0.00 H new ATOM 402 N GLY A 30 -6.580 12.848 -4.791 1.00 0.00 N ATOM 403 CA GLY A 30 -5.704 13.056 -5.929 1.00 0.00 C ATOM 404 C GLY A 30 -5.368 11.763 -6.646 1.00 0.00 C ATOM 405 O GLY A 30 -6.022 10.742 -6.437 1.00 0.00 O ATOM 0 H GLY A 30 -6.495 11.934 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.180 13.743 -6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.783 13.531 -5.592 1.00 0.00 H new ATOM 409 N ASN A 31 -4.346 11.807 -7.495 1.00 0.00 N ATOM 410 CA ASN A 31 -3.927 10.630 -8.247 1.00 0.00 C ATOM 411 C ASN A 31 -2.523 10.194 -7.837 1.00 0.00 C ATOM 412 O ASN A 31 -1.541 10.881 -8.119 1.00 0.00 O ATOM 413 CB ASN A 31 -3.965 10.918 -9.749 1.00 0.00 C ATOM 414 CG ASN A 31 -2.732 11.661 -10.227 1.00 0.00 C ATOM 415 OD1 ASN A 31 -1.711 11.052 -10.546 1.00 0.00 O ATOM 416 ND2 ASN A 31 -2.822 12.985 -10.278 1.00 0.00 N ATOM 0 H ASN A 31 -3.793 12.644 -7.679 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.621 9.820 -8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.054 9.978 -10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.853 11.506 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.025 13.539 -10.591 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.688 13.448 -10.004 1.00 0.00 H new ATOM 423 N PHE A 32 -2.436 9.048 -7.170 1.00 0.00 N ATOM 424 CA PHE A 32 -1.153 8.521 -6.720 1.00 0.00 C ATOM 425 C PHE A 32 -0.710 7.350 -7.593 1.00 0.00 C ATOM 426 O PHE A 32 0.475 7.022 -7.657 1.00 0.00 O ATOM 427 CB PHE A 32 -1.244 8.076 -5.259 1.00 0.00 C ATOM 428 CG PHE A 32 -0.907 9.163 -4.279 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.278 9.872 -4.393 1.00 0.00 C ATOM 430 CD2 PHE A 32 -1.775 9.477 -3.246 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.591 10.873 -3.492 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.467 10.476 -2.342 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.283 11.176 -2.466 1.00 0.00 C ATOM 0 H PHE A 32 -3.239 8.467 -6.929 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.412 9.316 -6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.254 7.718 -5.059 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.570 7.234 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.964 9.640 -5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.704 8.935 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.518 11.418 -3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.151 10.709 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.041 11.959 -1.762 1.00 0.00 H new ATOM 443 N LEU A 33 -1.671 6.724 -8.264 1.00 0.00 N ATOM 444 CA LEU A 33 -1.382 5.589 -9.134 1.00 0.00 C ATOM 445 C LEU A 33 -0.211 5.898 -10.061 1.00 0.00 C ATOM 446 O LEU A 33 0.705 5.090 -10.209 1.00 0.00 O ATOM 447 CB LEU A 33 -2.618 5.225 -9.958 1.00 0.00 C ATOM 448 CG LEU A 33 -2.545 3.907 -10.731 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.313 2.743 -9.781 1.00 0.00 C ATOM 450 CD2 LEU A 33 -3.816 3.693 -11.540 1.00 0.00 C ATOM 0 H LEU A 33 -2.657 6.983 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.110 4.741 -8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.477 5.183 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.806 6.030 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.703 3.959 -11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.264 1.814 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.375 2.891 -9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.134 2.688 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.747 2.751 -12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.674 3.662 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.939 4.512 -12.248 1.00 0.00 H new ATOM 462 N GLU A 34 -0.249 7.073 -10.682 1.00 0.00 N ATOM 463 CA GLU A 34 0.810 7.488 -11.594 1.00 0.00 C ATOM 464 C GLU A 34 2.183 7.298 -10.956 1.00 0.00 C ATOM 465 O GLU A 34 2.962 6.442 -11.376 1.00 0.00 O ATOM 466 CB GLU A 34 0.621 8.952 -11.997 1.00 0.00 C ATOM 467 CG GLU A 34 1.493 9.379 -13.167 1.00 0.00 C ATOM 468 CD GLU A 34 1.647 10.885 -13.260 1.00 0.00 C ATOM 469 OE1 GLU A 34 0.689 11.602 -12.903 1.00 0.00 O ATOM 470 OE2 GLU A 34 2.725 11.346 -13.691 1.00 0.00 O ATOM 0 H GLU A 34 -1.001 7.753 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 34 0.753 6.863 -12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.425 9.117 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.842 9.588 -11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.478 8.922 -13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.060 9.004 -14.094 1.00 0.00 H new ATOM 477 N VAL A 35 2.474 8.104 -9.940 1.00 0.00 N ATOM 478 CA VAL A 35 3.752 8.025 -9.243 1.00 0.00 C ATOM 479 C VAL A 35 4.036 6.602 -8.776 1.00 0.00 C ATOM 480 O VAL A 35 5.161 6.112 -8.888 1.00 0.00 O ATOM 481 CB VAL A 35 3.787 8.969 -8.026 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.611 8.693 -7.101 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.106 8.829 -7.281 1.00 0.00 C ATOM 0 H VAL A 35 1.842 8.819 -9.581 1.00 0.00 H new ATOM 0 HA VAL A 35 4.520 8.331 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 35 3.704 9.996 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.653 9.369 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.678 8.849 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.658 7.662 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.113 9.503 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.221 7.802 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.930 9.082 -7.949 1.00 0.00 H new ATOM 493 N THR A 36 3.009 5.940 -8.252 1.00 0.00 N ATOM 494 CA THR A 36 3.148 4.572 -7.768 1.00 0.00 C ATOM 495 C THR A 36 3.657 3.648 -8.868 1.00 0.00 C ATOM 496 O THR A 36 4.507 2.791 -8.627 1.00 0.00 O ATOM 497 CB THR A 36 1.811 4.027 -7.233 1.00 0.00 C ATOM 498 OG1 THR A 36 1.431 4.736 -6.048 1.00 0.00 O ATOM 499 CG2 THR A 36 1.915 2.540 -6.929 1.00 0.00 C ATOM 0 H THR A 36 2.072 6.329 -8.152 1.00 0.00 H new ATOM 0 HA THR A 36 3.873 4.597 -6.955 1.00 0.00 H new ATOM 0 HB THR A 36 1.052 4.172 -8.002 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.037 5.598 -6.295 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.958 2.178 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.175 2.000 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.687 2.375 -6.177 1.00 0.00 H new ATOM 507 N GLU A 37 3.132 3.829 -10.076 1.00 0.00 N ATOM 508 CA GLU A 37 3.535 3.010 -11.213 1.00 0.00 C ATOM 509 C GLU A 37 5.009 3.225 -11.544 1.00 0.00 C ATOM 510 O GLU A 37 5.759 2.268 -11.731 1.00 0.00 O ATOM 511 CB GLU A 37 2.674 3.336 -12.435 1.00 0.00 C ATOM 512 CG GLU A 37 1.237 2.857 -12.312 1.00 0.00 C ATOM 513 CD GLU A 37 0.369 3.314 -13.468 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.056 4.489 -13.464 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.115 2.497 -14.378 1.00 0.00 O ATOM 0 H GLU A 37 2.428 4.534 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 37 3.390 1.964 -10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.676 4.414 -12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.125 2.883 -13.318 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.224 1.768 -12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.814 3.225 -11.377 1.00 0.00 H new ATOM 522 N GLN A 38 5.415 4.489 -11.616 1.00 0.00 N ATOM 523 CA GLN A 38 6.798 4.830 -11.926 1.00 0.00 C ATOM 524 C GLN A 38 7.753 4.204 -10.914 1.00 0.00 C ATOM 525 O GLN A 38 8.811 3.691 -11.280 1.00 0.00 O ATOM 526 CB GLN A 38 6.979 6.349 -11.944 1.00 0.00 C ATOM 527 CG GLN A 38 6.332 7.024 -13.143 1.00 0.00 C ATOM 528 CD GLN A 38 6.603 6.292 -14.442 1.00 0.00 C ATOM 529 OE1 GLN A 38 7.752 6.001 -14.776 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.544 5.989 -15.184 1.00 0.00 N ATOM 0 H GLN A 38 4.806 5.293 -11.464 1.00 0.00 H new ATOM 0 HA GLN A 38 7.032 4.432 -12.913 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.557 6.768 -11.030 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.044 6.580 -11.938 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.256 7.086 -12.983 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.702 8.046 -13.223 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.609 6.249 -14.869 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.665 5.496 -16.069 1.00 0.00 H new ATOM 539 N ILE A 39 7.373 4.252 -9.642 1.00 0.00 N ATOM 540 CA ILE A 39 8.195 3.689 -8.578 1.00 0.00 C ATOM 541 C ILE A 39 8.213 2.166 -8.645 1.00 0.00 C ATOM 542 O ILE A 39 9.265 1.540 -8.511 1.00 0.00 O ATOM 543 CB ILE A 39 7.693 4.125 -7.189 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.829 5.640 -7.026 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.463 3.398 -6.096 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.233 6.088 -6.687 1.00 0.00 C ATOM 0 H ILE A 39 6.501 4.675 -9.323 1.00 0.00 H new ATOM 0 HA ILE A 39 9.206 4.069 -8.725 1.00 0.00 H new ATOM 0 HB ILE A 39 6.639 3.862 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.514 6.126 -7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.150 5.975 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.097 3.716 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.320 2.323 -6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.524 3.633 -6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.254 7.173 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.544 5.630 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.914 5.784 -7.482 1.00 0.00 H new ATOM 558 N LEU A 40 7.042 1.574 -8.854 1.00 0.00 N ATOM 559 CA LEU A 40 6.923 0.123 -8.941 1.00 0.00 C ATOM 560 C LEU A 40 7.921 -0.447 -9.943 1.00 0.00 C ATOM 561 O LEU A 40 8.627 -1.412 -9.651 1.00 0.00 O ATOM 562 CB LEU A 40 5.499 -0.268 -9.343 1.00 0.00 C ATOM 563 CG LEU A 40 4.444 -0.186 -8.240 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.047 -0.310 -8.828 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.681 -1.264 -7.193 1.00 0.00 C ATOM 0 H LEU A 40 6.162 2.077 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 40 7.145 -0.294 -7.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.186 0.374 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.518 -1.289 -9.725 1.00 0.00 H new ATOM 0 HG LEU A 40 4.528 0.787 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.309 -0.249 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.879 0.499 -9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.951 -1.268 -9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.920 -1.190 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.625 -2.246 -7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.667 -1.129 -6.749 1.00 0.00 H new ATOM 577 N ALA A 41 7.977 0.159 -11.125 1.00 0.00 N ATOM 578 CA ALA A 41 8.892 -0.285 -12.169 1.00 0.00 C ATOM 579 C ALA A 41 10.332 -0.297 -11.667 1.00 0.00 C ATOM 580 O ALA A 41 11.216 -0.875 -12.300 1.00 0.00 O ATOM 581 CB ALA A 41 8.765 0.606 -13.395 1.00 0.00 C ATOM 0 H ALA A 41 7.399 0.959 -11.383 1.00 0.00 H new ATOM 0 HA ALA A 41 8.623 -1.304 -12.445 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.454 0.263 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.744 0.560 -13.774 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.006 1.634 -13.124 1.00 0.00 H new ATOM 587 N LYS A 42 10.562 0.345 -10.527 1.00 0.00 N ATOM 588 CA LYS A 42 11.895 0.408 -9.939 1.00 0.00 C ATOM 589 C LYS A 42 12.011 -0.541 -8.750 1.00 0.00 C ATOM 590 O LYS A 42 13.090 -1.057 -8.460 1.00 0.00 O ATOM 591 CB LYS A 42 12.212 1.838 -9.497 1.00 0.00 C ATOM 592 CG LYS A 42 12.562 2.767 -10.646 1.00 0.00 C ATOM 593 CD LYS A 42 12.472 4.226 -10.232 1.00 0.00 C ATOM 594 CE LYS A 42 12.535 5.152 -11.437 1.00 0.00 C ATOM 595 NZ LYS A 42 13.932 5.341 -11.918 1.00 0.00 N ATOM 0 H LYS A 42 9.842 0.830 -9.991 1.00 0.00 H new ATOM 0 HA LYS A 42 12.615 0.101 -10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.353 2.243 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.044 1.816 -8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.571 2.549 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.887 2.583 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.541 4.395 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.287 4.462 -9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.926 4.742 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.107 6.120 -11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.933 5.978 -12.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.508 5.756 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.332 4.421 -12.193 1.00 0.00 H new ATOM 609 N ILE A 43 10.893 -0.767 -8.068 1.00 0.00 N ATOM 610 CA ILE A 43 10.871 -1.655 -6.913 1.00 0.00 C ATOM 611 C ILE A 43 11.231 -3.083 -7.310 1.00 0.00 C ATOM 612 O ILE A 43 10.616 -3.682 -8.192 1.00 0.00 O ATOM 613 CB ILE A 43 9.490 -1.657 -6.231 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.177 -0.273 -5.658 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.440 -2.713 -5.137 1.00 0.00 C ATOM 616 CD1 ILE A 43 7.890 -0.224 -4.865 1.00 0.00 C ATOM 0 H ILE A 43 9.991 -0.348 -8.295 1.00 0.00 H new ATOM 0 HA ILE A 43 11.614 -1.277 -6.211 1.00 0.00 H new ATOM 0 HB ILE A 43 8.734 -1.900 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.001 0.041 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.118 0.445 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.458 -2.702 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.622 -3.696 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.204 -2.499 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.732 0.787 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.056 -0.507 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.953 -0.917 -4.026 1.00 0.00 H new ATOM 628 N PRO A 44 12.251 -3.643 -6.644 1.00 0.00 N ATOM 629 CA PRO A 44 12.716 -5.008 -6.908 1.00 0.00 C ATOM 630 C PRO A 44 11.711 -6.060 -6.452 1.00 0.00 C ATOM 631 O PRO A 44 10.612 -5.731 -6.006 1.00 0.00 O ATOM 632 CB PRO A 44 14.006 -5.109 -6.090 1.00 0.00 C ATOM 633 CG PRO A 44 13.839 -4.112 -4.996 1.00 0.00 C ATOM 634 CD PRO A 44 13.030 -2.987 -5.580 1.00 0.00 C ATOM 0 HA PRO A 44 12.856 -5.192 -7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.145 -6.114 -5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.881 -4.884 -6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.331 -4.554 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.806 -3.755 -4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.383 -2.528 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.668 -2.198 -5.978 1.00 0.00 H new ATOM 642 N SER A 45 12.097 -7.327 -6.565 1.00 0.00 N ATOM 643 CA SER A 45 11.228 -8.429 -6.166 1.00 0.00 C ATOM 644 C SER A 45 11.957 -9.383 -5.225 1.00 0.00 C ATOM 645 O SER A 45 11.566 -10.539 -5.072 1.00 0.00 O ATOM 646 CB SER A 45 10.734 -9.189 -7.399 1.00 0.00 C ATOM 647 OG SER A 45 11.793 -9.898 -8.019 1.00 0.00 O ATOM 0 H SER A 45 13.005 -7.616 -6.929 1.00 0.00 H new ATOM 0 HA SER A 45 10.371 -8.010 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.946 -9.885 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.295 -8.489 -8.110 1.00 0.00 H new ATOM 0 HG SER A 45 11.451 -10.377 -8.803 1.00 0.00 H new ATOM 653 N GLU A 46 13.020 -8.888 -4.598 1.00 0.00 N ATOM 654 CA GLU A 46 13.805 -9.697 -3.673 1.00 0.00 C ATOM 655 C GLU A 46 13.417 -9.401 -2.227 1.00 0.00 C ATOM 656 O GLU A 46 13.144 -8.256 -1.869 1.00 0.00 O ATOM 657 CB GLU A 46 15.299 -9.436 -3.874 1.00 0.00 C ATOM 658 CG GLU A 46 15.712 -8.003 -3.585 1.00 0.00 C ATOM 659 CD GLU A 46 17.176 -7.882 -3.207 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.572 -8.460 -2.173 1.00 0.00 O ATOM 661 OE2 GLU A 46 17.925 -7.210 -3.947 1.00 0.00 O ATOM 0 H GLU A 46 13.357 -7.932 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 46 13.595 -10.746 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.866 -10.106 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.567 -9.682 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.516 -7.388 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.098 -7.608 -2.776 1.00 0.00 H new ATOM 668 N ASN A 47 13.393 -10.442 -1.401 1.00 0.00 N ATOM 669 CA ASN A 47 13.037 -10.295 0.005 1.00 0.00 C ATOM 670 C ASN A 47 13.819 -9.152 0.647 1.00 0.00 C ATOM 671 O ASN A 47 14.926 -9.348 1.145 1.00 0.00 O ATOM 672 CB ASN A 47 13.305 -11.598 0.760 1.00 0.00 C ATOM 673 CG ASN A 47 12.215 -12.629 0.537 1.00 0.00 C ATOM 674 OD1 ASN A 47 11.418 -12.515 -0.394 1.00 0.00 O ATOM 675 ND2 ASN A 47 12.176 -13.643 1.394 1.00 0.00 N ATOM 0 H ASN A 47 13.616 -11.397 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 47 11.974 -10.062 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.262 -12.010 0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.389 -11.387 1.826 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.465 -14.368 1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.857 -13.697 2.151 1.00 0.00 H new ATOM 682 N ASN A 48 13.233 -7.960 0.632 1.00 0.00 N ATOM 683 CA ASN A 48 13.874 -6.785 1.213 1.00 0.00 C ATOM 684 C ASN A 48 12.940 -5.580 1.173 1.00 0.00 C ATOM 685 O ASN A 48 11.926 -5.588 0.474 1.00 0.00 O ATOM 686 CB ASN A 48 15.170 -6.465 0.466 1.00 0.00 C ATOM 687 CG ASN A 48 14.949 -5.520 -0.699 1.00 0.00 C ATOM 688 OD1 ASN A 48 14.164 -5.806 -1.604 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.641 -4.387 -0.681 1.00 0.00 N ATOM 0 H ASN A 48 12.315 -7.781 0.224 1.00 0.00 H new ATOM 0 HA ASN A 48 14.107 -7.006 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.885 -6.022 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.613 -7.391 0.100 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.533 -3.712 -1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.280 -4.192 0.090 1.00 0.00 H new ATOM 696 N LYS A 49 13.288 -4.543 1.927 1.00 0.00 N ATOM 697 CA LYS A 49 12.484 -3.328 1.978 1.00 0.00 C ATOM 698 C LYS A 49 13.368 -2.097 2.146 1.00 0.00 C ATOM 699 O LYS A 49 14.465 -2.178 2.701 1.00 0.00 O ATOM 700 CB LYS A 49 11.476 -3.407 3.127 1.00 0.00 C ATOM 701 CG LYS A 49 12.105 -3.760 4.464 1.00 0.00 C ATOM 702 CD LYS A 49 11.134 -3.539 5.612 1.00 0.00 C ATOM 703 CE LYS A 49 11.401 -4.501 6.760 1.00 0.00 C ATOM 704 NZ LYS A 49 10.702 -5.802 6.568 1.00 0.00 N ATOM 0 H LYS A 49 14.123 -4.520 2.512 1.00 0.00 H new ATOM 0 HA LYS A 49 11.944 -3.239 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.965 -2.449 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.718 -4.151 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.426 -4.802 4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.997 -3.154 4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.218 -2.513 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.112 -3.670 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.474 -4.674 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.075 -4.048 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.909 -6.429 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.676 -5.640 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.032 -6.247 5.687 1.00 0.00 H new ATOM 718 N LEU A 50 12.884 -0.957 1.665 1.00 0.00 N ATOM 719 CA LEU A 50 13.630 0.293 1.764 1.00 0.00 C ATOM 720 C LEU A 50 12.684 1.485 1.877 1.00 0.00 C ATOM 721 O LEU A 50 11.566 1.455 1.362 1.00 0.00 O ATOM 722 CB LEU A 50 14.541 0.464 0.547 1.00 0.00 C ATOM 723 CG LEU A 50 14.984 1.894 0.236 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.314 1.892 -0.500 1.00 0.00 C ATOM 725 CD2 LEU A 50 13.921 2.615 -0.581 1.00 0.00 C ATOM 0 H LEU A 50 11.979 -0.872 1.203 1.00 0.00 H new ATOM 0 HA LEU A 50 14.242 0.252 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.432 -0.147 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.025 0.067 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 50 15.114 2.427 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.613 2.918 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.072 1.414 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.211 1.342 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.253 3.631 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.759 2.083 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.989 2.648 -0.017 1.00 0.00 H new ATOM 737 N THR A 51 13.141 2.535 2.552 1.00 0.00 N ATOM 738 CA THR A 51 12.336 3.737 2.731 1.00 0.00 C ATOM 739 C THR A 51 12.535 4.709 1.574 1.00 0.00 C ATOM 740 O THR A 51 13.614 5.278 1.408 1.00 0.00 O ATOM 741 CB THR A 51 12.680 4.451 4.052 1.00 0.00 C ATOM 742 OG1 THR A 51 12.599 3.528 5.144 1.00 0.00 O ATOM 743 CG2 THR A 51 11.737 5.619 4.297 1.00 0.00 C ATOM 0 H THR A 51 14.064 2.577 2.984 1.00 0.00 H new ATOM 0 HA THR A 51 11.294 3.419 2.759 1.00 0.00 H new ATOM 0 HB THR A 51 13.697 4.835 3.977 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.821 3.990 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.999 6.108 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.823 6.334 3.479 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.712 5.253 4.353 1.00 0.00 H new ATOM 751 N TYR A 52 11.489 4.896 0.778 1.00 0.00 N ATOM 752 CA TYR A 52 11.550 5.799 -0.365 1.00 0.00 C ATOM 753 C TYR A 52 10.861 7.123 -0.051 1.00 0.00 C ATOM 754 O TYR A 52 9.674 7.157 0.275 1.00 0.00 O ATOM 755 CB TYR A 52 10.899 5.151 -1.589 1.00 0.00 C ATOM 756 CG TYR A 52 11.495 5.603 -2.903 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.468 6.942 -3.275 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.084 4.693 -3.772 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.011 7.360 -4.475 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.630 5.103 -4.972 1.00 0.00 C ATOM 761 CZ TYR A 52 12.591 6.437 -5.320 1.00 0.00 C ATOM 762 OH TYR A 52 13.133 6.849 -6.516 1.00 0.00 O ATOM 0 H TYR A 52 10.588 4.434 0.903 1.00 0.00 H new ATOM 0 HA TYR A 52 12.599 5.999 -0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.994 4.068 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.833 5.378 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.015 7.668 -2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.115 3.647 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.981 8.404 -4.750 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.086 4.382 -5.635 1.00 0.00 H new ATOM 0 HH TYR A 52 13.502 6.076 -6.992 1.00 0.00 H new ATOM 772 N SER A 53 11.615 8.213 -0.151 1.00 0.00 N ATOM 773 CA SER A 53 11.080 9.541 0.125 1.00 0.00 C ATOM 774 C SER A 53 10.795 10.293 -1.172 1.00 0.00 C ATOM 775 O SER A 53 11.714 10.658 -1.906 1.00 0.00 O ATOM 776 CB SER A 53 12.060 10.340 0.986 1.00 0.00 C ATOM 777 OG SER A 53 13.318 10.462 0.347 1.00 0.00 O ATOM 0 H SER A 53 12.599 8.203 -0.421 1.00 0.00 H new ATOM 0 HA SER A 53 10.143 9.422 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.651 11.331 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.185 9.849 1.951 1.00 0.00 H new ATOM 0 HG SER A 53 13.186 10.724 -0.588 1.00 0.00 H new ATOM 783 N HIS A 54 9.514 10.521 -1.447 1.00 0.00 N ATOM 784 CA HIS A 54 9.107 11.230 -2.655 1.00 0.00 C ATOM 785 C HIS A 54 8.378 12.524 -2.306 1.00 0.00 C ATOM 786 O HIS A 54 7.521 12.547 -1.423 1.00 0.00 O ATOM 787 CB HIS A 54 8.208 10.341 -3.514 1.00 0.00 C ATOM 788 CG HIS A 54 8.033 10.841 -4.915 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.067 11.758 -5.272 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.710 10.549 -6.051 1.00 0.00 C ATOM 791 CE1 HIS A 54 7.155 12.007 -6.566 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.145 11.286 -7.062 1.00 0.00 N ATOM 0 H HIS A 54 8.741 10.225 -0.850 1.00 0.00 H new ATOM 0 HA HIS A 54 10.005 11.481 -3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.629 9.336 -3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.229 10.262 -3.040 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.540 9.864 -6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.525 12.684 -7.124 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.441 11.278 -8.038 1.00 0.00 H new ATOM 801 N GLY A 55 8.726 13.600 -3.004 1.00 0.00 N ATOM 802 CA GLY A 55 8.096 14.883 -2.753 1.00 0.00 C ATOM 803 C GLY A 55 7.792 15.102 -1.284 1.00 0.00 C ATOM 804 O GLY A 55 8.614 14.795 -0.421 1.00 0.00 O ATOM 0 H GLY A 55 9.433 13.606 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.748 15.680 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.171 14.948 -3.326 1.00 0.00 H new ATOM 808 N ASN A 56 6.609 15.635 -0.998 1.00 0.00 N ATOM 809 CA ASN A 56 6.200 15.897 0.377 1.00 0.00 C ATOM 810 C ASN A 56 5.388 14.732 0.934 1.00 0.00 C ATOM 811 O ASN A 56 4.376 14.932 1.607 1.00 0.00 O ATOM 812 CB ASN A 56 5.379 17.186 0.450 1.00 0.00 C ATOM 813 CG ASN A 56 6.245 18.428 0.359 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.994 18.607 -0.602 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.145 19.294 1.361 1.00 0.00 N ATOM 0 H ASN A 56 5.916 15.894 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 56 7.100 16.012 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.649 17.195 -0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.819 17.204 1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.702 20.148 1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.511 19.105 2.137 1.00 0.00 H new ATOM 822 N TYR A 57 5.838 13.515 0.649 1.00 0.00 N ATOM 823 CA TYR A 57 5.152 12.317 1.120 1.00 0.00 C ATOM 824 C TYR A 57 6.126 11.150 1.255 1.00 0.00 C ATOM 825 O TYR A 57 7.143 11.091 0.562 1.00 0.00 O ATOM 826 CB TYR A 57 4.020 11.943 0.162 1.00 0.00 C ATOM 827 CG TYR A 57 2.792 12.813 0.308 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.746 14.082 -0.255 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.678 12.367 1.008 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.626 14.882 -0.125 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.554 13.158 1.142 1.00 0.00 C ATOM 832 CZ TYR A 57 0.533 14.415 0.574 1.00 0.00 C ATOM 833 OH TYR A 57 -0.584 15.207 0.707 1.00 0.00 O ATOM 0 H TYR A 57 6.674 13.332 0.094 1.00 0.00 H new ATOM 0 HA TYR A 57 4.732 12.532 2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.385 12.012 -0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.741 10.903 0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.600 14.450 -0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.691 11.384 1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.607 15.867 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.304 12.795 1.688 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.264 14.729 1.226 1.00 0.00 H new ATOM 843 N LEU A 58 5.806 10.223 2.151 1.00 0.00 N ATOM 844 CA LEU A 58 6.651 9.055 2.378 1.00 0.00 C ATOM 845 C LEU A 58 6.157 7.860 1.569 1.00 0.00 C ATOM 846 O LEU A 58 4.964 7.559 1.551 1.00 0.00 O ATOM 847 CB LEU A 58 6.678 8.702 3.866 1.00 0.00 C ATOM 848 CG LEU A 58 7.302 9.746 4.793 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.026 9.401 6.248 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.799 9.854 4.543 1.00 0.00 C ATOM 0 H LEU A 58 4.968 10.257 2.732 1.00 0.00 H new ATOM 0 HA LEU A 58 7.662 9.299 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.655 8.520 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.223 7.766 3.987 1.00 0.00 H new ATOM 0 HG LEU A 58 6.847 10.713 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.478 10.155 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.950 9.376 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.453 8.425 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.226 10.601 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.270 8.889 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.975 10.149 3.509 1.00 0.00 H new ATOM 862 N PHE A 59 7.084 7.181 0.901 1.00 0.00 N ATOM 863 CA PHE A 59 6.743 6.017 0.091 1.00 0.00 C ATOM 864 C PHE A 59 7.401 4.757 0.645 1.00 0.00 C ATOM 865 O PHE A 59 8.561 4.467 0.351 1.00 0.00 O ATOM 866 CB PHE A 59 7.177 6.236 -1.361 1.00 0.00 C ATOM 867 CG PHE A 59 6.227 7.093 -2.147 1.00 0.00 C ATOM 868 CD1 PHE A 59 5.950 8.390 -1.747 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.612 6.602 -3.287 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.076 9.181 -2.469 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.737 7.388 -4.014 1.00 0.00 C ATOM 872 CZ PHE A 59 4.470 8.680 -3.604 1.00 0.00 C ATOM 0 H PHE A 59 8.076 7.417 0.905 1.00 0.00 H new ATOM 0 HA PHE A 59 5.661 5.886 0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.164 6.698 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.273 5.268 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.422 8.788 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.818 5.593 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.867 10.190 -2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.263 6.993 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.788 9.297 -4.170 1.00 0.00 H new ATOM 882 N HIS A 60 6.650 4.011 1.450 1.00 0.00 N ATOM 883 CA HIS A 60 7.159 2.781 2.047 1.00 0.00 C ATOM 884 C HIS A 60 6.638 1.558 1.298 1.00 0.00 C ATOM 885 O HIS A 60 5.430 1.383 1.140 1.00 0.00 O ATOM 886 CB HIS A 60 6.758 2.701 3.520 1.00 0.00 C ATOM 887 CG HIS A 60 6.813 4.019 4.229 1.00 0.00 C ATOM 888 ND1 HIS A 60 7.994 4.624 4.603 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.822 4.850 4.631 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.728 5.769 5.205 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.417 5.930 5.235 1.00 0.00 N ATOM 0 H HIS A 60 5.688 4.237 1.704 1.00 0.00 H new ATOM 0 HA HIS A 60 8.247 2.793 1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.746 2.302 3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.416 1.996 4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.762 4.693 4.501 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.458 6.457 5.605 1.00 0.00 H new ATOM 0 HE2 HIS A 60 5.927 6.727 5.641 1.00 0.00 H new ATOM 900 N TYR A 61 7.558 0.716 0.840 1.00 0.00 N ATOM 901 CA TYR A 61 7.191 -0.489 0.105 1.00 0.00 C ATOM 902 C TYR A 61 7.788 -1.730 0.761 1.00 0.00 C ATOM 903 O TYR A 61 8.967 -1.752 1.115 1.00 0.00 O ATOM 904 CB TYR A 61 7.663 -0.389 -1.347 1.00 0.00 C ATOM 905 CG TYR A 61 9.078 -0.877 -1.559 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.372 -2.235 -1.563 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.121 0.020 -1.756 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.664 -2.685 -1.755 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.416 -0.422 -1.951 1.00 0.00 C ATOM 910 CZ TYR A 61 11.682 -1.775 -1.949 1.00 0.00 C ATOM 911 OH TYR A 61 12.970 -2.220 -2.142 1.00 0.00 O ATOM 0 H TYR A 61 8.562 0.845 0.964 1.00 0.00 H new ATOM 0 HA TYR A 61 6.105 -0.578 0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.990 -0.967 -1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.593 0.649 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.577 -2.951 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.916 1.080 -1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.876 -3.744 -1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.215 0.288 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 61 13.566 -1.452 -2.265 1.00 0.00 H new ATOM 921 N ILE A 62 6.965 -2.761 0.919 1.00 0.00 N ATOM 922 CA ILE A 62 7.411 -4.007 1.530 1.00 0.00 C ATOM 923 C ILE A 62 7.291 -5.172 0.555 1.00 0.00 C ATOM 924 O ILE A 62 6.259 -5.348 -0.094 1.00 0.00 O ATOM 925 CB ILE A 62 6.604 -4.331 2.801 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.696 -3.174 3.799 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.103 -5.622 3.431 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.571 -3.158 4.810 1.00 0.00 C ATOM 0 H ILE A 62 5.986 -2.758 0.632 1.00 0.00 H new ATOM 0 HA ILE A 62 8.458 -3.869 1.799 1.00 0.00 H new ATOM 0 HB ILE A 62 5.558 -4.465 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.648 -3.235 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.695 -2.231 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.523 -5.837 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.990 -6.441 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.155 -5.515 3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.700 -2.312 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.617 -3.066 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.584 -4.085 5.384 1.00 0.00 H new ATOM 940 N CYS A 63 8.351 -5.966 0.457 1.00 0.00 N ATOM 941 CA CYS A 63 8.365 -7.117 -0.439 1.00 0.00 C ATOM 942 C CYS A 63 8.088 -8.406 0.327 1.00 0.00 C ATOM 943 O CYS A 63 8.515 -8.563 1.470 1.00 0.00 O ATOM 944 CB CYS A 63 9.712 -7.215 -1.157 1.00 0.00 C ATOM 945 SG CYS A 63 9.737 -8.401 -2.522 1.00 0.00 S ATOM 0 H CYS A 63 9.212 -5.834 0.987 1.00 0.00 H new ATOM 0 HA CYS A 63 7.577 -6.979 -1.179 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.980 -6.230 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.478 -7.494 -0.433 1.00 0.00 H new ATOM 0 HG CYS A 63 10.634 -9.313 -2.288 1.00 0.00 H new ATOM 951 N GLN A 64 7.370 -9.325 -0.311 1.00 0.00 N ATOM 952 CA GLN A 64 7.035 -10.600 0.312 1.00 0.00 C ATOM 953 C GLN A 64 6.329 -11.521 -0.678 1.00 0.00 C ATOM 954 O GLN A 64 5.323 -11.147 -1.280 1.00 0.00 O ATOM 955 CB GLN A 64 6.148 -10.375 1.538 1.00 0.00 C ATOM 956 CG GLN A 64 5.909 -11.634 2.355 1.00 0.00 C ATOM 957 CD GLN A 64 7.089 -11.991 3.237 1.00 0.00 C ATOM 958 OE1 GLN A 64 7.163 -11.575 4.394 1.00 0.00 O ATOM 959 NE2 GLN A 64 8.021 -12.766 2.694 1.00 0.00 N ATOM 0 H GLN A 64 7.009 -9.210 -1.258 1.00 0.00 H new ATOM 0 HA GLN A 64 7.963 -11.077 0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.608 -9.620 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.188 -9.975 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.024 -11.496 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.699 -12.465 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.919 -13.088 1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.838 -13.039 3.239 1.00 0.00 H new ATOM 968 N ASP A 65 6.864 -12.726 -0.842 1.00 0.00 N ATOM 969 CA ASP A 65 6.286 -13.701 -1.759 1.00 0.00 C ATOM 970 C ASP A 65 6.101 -13.098 -3.148 1.00 0.00 C ATOM 971 O ASP A 65 5.098 -13.350 -3.816 1.00 0.00 O ATOM 972 CB ASP A 65 4.943 -14.202 -1.224 1.00 0.00 C ATOM 973 CG ASP A 65 4.634 -15.617 -1.670 1.00 0.00 C ATOM 974 OD1 ASP A 65 5.390 -16.536 -1.292 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.636 -15.806 -2.397 1.00 0.00 O ATOM 0 H ASP A 65 7.697 -13.051 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 65 6.974 -14.542 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.951 -14.161 -0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.149 -13.536 -1.562 1.00 0.00 H new ATOM 980 N ARG A 66 7.074 -12.300 -3.575 1.00 0.00 N ATOM 981 CA ARG A 66 7.018 -11.660 -4.884 1.00 0.00 C ATOM 982 C ARG A 66 5.884 -10.641 -4.941 1.00 0.00 C ATOM 983 O ARG A 66 5.323 -10.381 -6.007 1.00 0.00 O ATOM 984 CB ARG A 66 6.832 -12.709 -5.981 1.00 0.00 C ATOM 985 CG ARG A 66 7.899 -13.791 -5.977 1.00 0.00 C ATOM 986 CD ARG A 66 9.152 -13.340 -6.710 1.00 0.00 C ATOM 987 NE ARG A 66 9.997 -14.468 -7.094 1.00 0.00 N ATOM 988 CZ ARG A 66 10.843 -15.068 -6.264 1.00 0.00 C ATOM 989 NH1 ARG A 66 10.956 -14.651 -5.010 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.579 -16.088 -6.687 1.00 0.00 N ATOM 0 H ARG A 66 7.910 -12.081 -3.034 1.00 0.00 H new ATOM 0 HA ARG A 66 7.961 -11.139 -5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.854 -13.175 -5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.834 -12.212 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.151 -14.051 -4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.506 -14.693 -6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.869 -12.779 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.720 -12.662 -6.073 1.00 0.00 H new ATOM 0 HE ARG A 66 9.934 -14.814 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.392 -13.867 -4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.607 -15.114 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.496 -16.412 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.228 -16.548 -6.049 1.00 0.00 H new ATOM 1004 N ILE A 67 5.552 -10.067 -3.790 1.00 0.00 N ATOM 1005 CA ILE A 67 4.485 -9.076 -3.710 1.00 0.00 C ATOM 1006 C ILE A 67 4.977 -7.792 -3.051 1.00 0.00 C ATOM 1007 O ILE A 67 5.688 -7.829 -2.048 1.00 0.00 O ATOM 1008 CB ILE A 67 3.276 -9.613 -2.923 1.00 0.00 C ATOM 1009 CG1 ILE A 67 3.046 -11.092 -3.244 1.00 0.00 C ATOM 1010 CG2 ILE A 67 2.032 -8.798 -3.242 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.633 -11.342 -4.677 1.00 0.00 C ATOM 0 H ILE A 67 6.006 -10.271 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 67 4.176 -8.862 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 67 3.485 -9.520 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.961 -11.647 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.277 -11.484 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.186 -9.190 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.199 -7.756 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.818 -8.863 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.488 -12.411 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.702 -10.815 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.412 -10.980 -5.348 1.00 0.00 H new ATOM 1023 N VAL A 68 4.590 -6.655 -3.622 1.00 0.00 N ATOM 1024 CA VAL A 68 4.988 -5.358 -3.089 1.00 0.00 C ATOM 1025 C VAL A 68 3.776 -4.558 -2.627 1.00 0.00 C ATOM 1026 O VAL A 68 2.750 -4.517 -3.307 1.00 0.00 O ATOM 1027 CB VAL A 68 5.764 -4.535 -4.135 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.116 -3.163 -3.582 1.00 0.00 C ATOM 1029 CG2 VAL A 68 7.016 -5.279 -4.575 1.00 0.00 C ATOM 0 H VAL A 68 4.001 -6.607 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 68 5.638 -5.553 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 68 5.126 -4.395 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.664 -2.597 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.202 -2.630 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.735 -3.277 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.552 -4.684 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.659 -5.451 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.735 -6.236 -5.015 1.00 0.00 H new ATOM 1039 N TYR A 69 3.900 -3.922 -1.468 1.00 0.00 N ATOM 1040 CA TYR A 69 2.813 -3.124 -0.913 1.00 0.00 C ATOM 1041 C TYR A 69 3.263 -1.686 -0.669 1.00 0.00 C ATOM 1042 O TYR A 69 3.892 -1.384 0.345 1.00 0.00 O ATOM 1043 CB TYR A 69 2.314 -3.742 0.394 1.00 0.00 C ATOM 1044 CG TYR A 69 1.986 -5.214 0.281 1.00 0.00 C ATOM 1045 CD1 TYR A 69 2.977 -6.146 -0.008 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.688 -5.673 0.461 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.682 -7.491 -0.113 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.385 -7.017 0.360 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.385 -7.922 0.073 1.00 0.00 C ATOM 1050 OH TYR A 69 1.087 -9.262 -0.031 1.00 0.00 O ATOM 0 H TYR A 69 4.743 -3.943 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 69 1.998 -3.113 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.073 -3.606 1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.425 -3.205 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.994 -5.812 -0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.098 -4.967 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.463 -8.202 -0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.630 -7.357 0.505 1.00 0.00 H new ATOM 0 HH TYR A 69 0.130 -9.398 0.129 1.00 0.00 H new ATOM 1060 N LEU A 70 2.934 -0.804 -1.606 1.00 0.00 N ATOM 1061 CA LEU A 70 3.302 0.603 -1.495 1.00 0.00 C ATOM 1062 C LEU A 70 2.153 1.422 -0.916 1.00 0.00 C ATOM 1063 O LEU A 70 0.982 1.113 -1.141 1.00 0.00 O ATOM 1064 CB LEU A 70 3.699 1.157 -2.865 1.00 0.00 C ATOM 1065 CG LEU A 70 4.194 2.603 -2.886 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.203 2.805 -4.006 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.025 3.565 -3.039 1.00 0.00 C ATOM 0 H LEU A 70 2.413 -1.038 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 70 4.154 0.678 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.481 0.520 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.839 1.079 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 70 4.688 2.812 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.544 3.840 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.054 2.142 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.734 2.578 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.396 4.590 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.502 3.357 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.338 3.439 -2.202 1.00 0.00 H new ATOM 1079 N CYS A 71 2.496 2.469 -0.173 1.00 0.00 N ATOM 1080 CA CYS A 71 1.492 3.334 0.438 1.00 0.00 C ATOM 1081 C CYS A 71 2.049 4.736 0.664 1.00 0.00 C ATOM 1082 O CYS A 71 3.166 4.899 1.154 1.00 0.00 O ATOM 1083 CB CYS A 71 1.016 2.741 1.765 1.00 0.00 C ATOM 1084 SG CYS A 71 2.124 3.064 3.157 1.00 0.00 S ATOM 0 H CYS A 71 3.460 2.739 0.021 1.00 0.00 H new ATOM 0 HA CYS A 71 0.645 3.404 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.030 3.144 1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.901 1.663 1.649 1.00 0.00 H new ATOM 0 HG CYS A 71 3.004 3.957 2.813 1.00 0.00 H new ATOM 1090 N ILE A 72 1.263 5.744 0.301 1.00 0.00 N ATOM 1091 CA ILE A 72 1.677 7.132 0.464 1.00 0.00 C ATOM 1092 C ILE A 72 1.169 7.707 1.782 1.00 0.00 C ATOM 1093 O ILE A 72 -0.017 7.608 2.099 1.00 0.00 O ATOM 1094 CB ILE A 72 1.172 8.010 -0.696 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.853 7.607 -2.005 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.421 9.481 -0.394 1.00 0.00 C ATOM 1097 CD1 ILE A 72 1.108 6.535 -2.768 1.00 0.00 C ATOM 0 H ILE A 72 0.336 5.625 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 72 2.767 7.138 0.465 1.00 0.00 H new ATOM 0 HB ILE A 72 0.098 7.858 -0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.955 8.488 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.861 7.253 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.059 10.089 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.893 9.760 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.490 9.649 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.648 6.299 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.029 5.639 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.109 6.893 -3.017 1.00 0.00 H new ATOM 1109 N THR A 73 2.073 8.310 2.546 1.00 0.00 N ATOM 1110 CA THR A 73 1.717 8.902 3.830 1.00 0.00 C ATOM 1111 C THR A 73 2.299 10.304 3.969 1.00 0.00 C ATOM 1112 O THR A 73 3.078 10.750 3.126 1.00 0.00 O ATOM 1113 CB THR A 73 2.208 8.035 5.004 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.637 7.950 4.986 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.611 6.638 4.932 1.00 0.00 C ATOM 0 H THR A 73 3.058 8.402 2.298 1.00 0.00 H new ATOM 0 HA THR A 73 0.629 8.959 3.861 1.00 0.00 H new ATOM 0 HB THR A 73 1.884 8.504 5.933 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.941 7.398 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.972 6.044 5.772 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.524 6.704 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.908 6.163 3.997 1.00 0.00 H new ATOM 1123 N ASP A 74 1.918 10.994 5.038 1.00 0.00 N ATOM 1124 CA ASP A 74 2.405 12.346 5.289 1.00 0.00 C ATOM 1125 C ASP A 74 3.787 12.315 5.934 1.00 0.00 C ATOM 1126 O ASP A 74 4.084 11.439 6.746 1.00 0.00 O ATOM 1127 CB ASP A 74 1.426 13.104 6.188 1.00 0.00 C ATOM 1128 CG ASP A 74 1.766 14.577 6.300 1.00 0.00 C ATOM 1129 OD1 ASP A 74 2.169 15.173 5.279 1.00 0.00 O ATOM 1130 OD2 ASP A 74 1.628 15.135 7.408 1.00 0.00 O ATOM 0 H ASP A 74 1.274 10.640 5.745 1.00 0.00 H new ATOM 0 HA ASP A 74 2.482 12.862 4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.416 12.996 5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.429 12.657 7.182 1.00 0.00 H new ATOM 1135 N ASP A 75 4.627 13.275 5.565 1.00 0.00 N ATOM 1136 CA ASP A 75 5.979 13.358 6.107 1.00 0.00 C ATOM 1137 C ASP A 75 5.969 13.175 7.622 1.00 0.00 C ATOM 1138 O ASP A 75 6.807 12.464 8.176 1.00 0.00 O ATOM 1139 CB ASP A 75 6.614 14.702 5.748 1.00 0.00 C ATOM 1140 CG ASP A 75 5.654 15.862 5.928 1.00 0.00 C ATOM 1141 OD1 ASP A 75 5.483 16.318 7.078 1.00 0.00 O ATOM 1142 OD2 ASP A 75 5.075 16.315 4.918 1.00 0.00 O ATOM 0 H ASP A 75 4.396 14.007 4.893 1.00 0.00 H new ATOM 0 HA ASP A 75 6.571 12.556 5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.494 14.863 6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.956 14.674 4.713 1.00 0.00 H new ATOM 1147 N ASP A 76 5.017 13.822 8.284 1.00 0.00 N ATOM 1148 CA ASP A 76 4.898 13.730 9.735 1.00 0.00 C ATOM 1149 C ASP A 76 4.704 12.282 10.174 1.00 0.00 C ATOM 1150 O ASP A 76 5.376 11.805 11.089 1.00 0.00 O ATOM 1151 CB ASP A 76 3.729 14.586 10.227 1.00 0.00 C ATOM 1152 CG ASP A 76 3.448 14.388 11.704 1.00 0.00 C ATOM 1153 OD1 ASP A 76 4.060 15.102 12.525 1.00 0.00 O ATOM 1154 OD2 ASP A 76 2.616 13.519 12.038 1.00 0.00 O ATOM 0 H ASP A 76 4.317 14.416 7.840 1.00 0.00 H new ATOM 0 HA ASP A 76 5.823 14.103 10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.948 15.637 10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.835 14.339 9.654 1.00 0.00 H new ATOM 1159 N PHE A 77 3.782 11.588 9.516 1.00 0.00 N ATOM 1160 CA PHE A 77 3.498 10.194 9.840 1.00 0.00 C ATOM 1161 C PHE A 77 4.790 9.415 10.067 1.00 0.00 C ATOM 1162 O PHE A 77 5.623 9.300 9.169 1.00 0.00 O ATOM 1163 CB PHE A 77 2.687 9.543 8.718 1.00 0.00 C ATOM 1164 CG PHE A 77 1.774 8.450 9.196 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.718 8.733 10.047 1.00 0.00 C ATOM 1166 CD2 PHE A 77 1.973 7.139 8.794 1.00 0.00 C ATOM 1167 CE1 PHE A 77 -0.124 7.729 10.487 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.134 6.131 9.231 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.086 6.426 10.080 1.00 0.00 C ATOM 0 H PHE A 77 3.218 11.967 8.755 1.00 0.00 H new ATOM 0 HA PHE A 77 2.915 10.172 10.760 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.094 10.309 8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.372 9.135 7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.551 9.750 10.370 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.793 6.902 8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.945 7.963 11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.298 5.113 8.909 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.568 5.639 10.425 1.00 0.00 H new ATOM 1179 N GLU A 78 4.949 8.883 11.275 1.00 0.00 N ATOM 1180 CA GLU A 78 6.140 8.116 11.620 1.00 0.00 C ATOM 1181 C GLU A 78 6.219 6.833 10.798 1.00 0.00 C ATOM 1182 O GLU A 78 5.198 6.215 10.492 1.00 0.00 O ATOM 1183 CB GLU A 78 6.141 7.778 13.113 1.00 0.00 C ATOM 1184 CG GLU A 78 7.390 7.044 13.570 1.00 0.00 C ATOM 1185 CD GLU A 78 8.633 7.910 13.501 1.00 0.00 C ATOM 1186 OE1 GLU A 78 8.690 8.925 14.226 1.00 0.00 O ATOM 1187 OE2 GLU A 78 9.549 7.573 12.721 1.00 0.00 O ATOM 0 H GLU A 78 4.269 8.969 12.030 1.00 0.00 H new ATOM 0 HA GLU A 78 7.013 8.728 11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.042 8.700 13.686 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.267 7.167 13.339 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.249 6.698 14.594 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.534 6.159 12.951 1.00 0.00 H new ATOM 1194 N ARG A 79 7.437 6.439 10.442 1.00 0.00 N ATOM 1195 CA ARG A 79 7.650 5.231 9.653 1.00 0.00 C ATOM 1196 C ARG A 79 7.017 4.020 10.333 1.00 0.00 C ATOM 1197 O ARG A 79 6.282 3.258 9.706 1.00 0.00 O ATOM 1198 CB ARG A 79 9.146 4.989 9.445 1.00 0.00 C ATOM 1199 CG ARG A 79 9.767 5.889 8.389 1.00 0.00 C ATOM 1200 CD ARG A 79 10.289 7.182 8.996 1.00 0.00 C ATOM 1201 NE ARG A 79 10.937 8.031 8.000 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.820 8.976 8.303 1.00 0.00 C ATOM 1203 NH1 ARG A 79 12.159 9.191 9.567 1.00 0.00 N ATOM 1204 NH2 ARG A 79 12.367 9.708 7.341 1.00 0.00 N ATOM 0 H ARG A 79 8.292 6.939 10.687 1.00 0.00 H new ATOM 0 HA ARG A 79 7.174 5.372 8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.665 5.141 10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.301 3.948 9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.583 5.362 7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.026 6.118 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.464 7.726 9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.998 6.949 9.791 1.00 0.00 H new ATOM 0 HE ARG A 79 10.699 7.891 7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.741 8.630 10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.837 9.917 9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.110 9.545 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.045 10.433 7.575 1.00 0.00 H new ATOM 1218 N SER A 80 7.310 3.849 11.618 1.00 0.00 N ATOM 1219 CA SER A 80 6.774 2.728 12.381 1.00 0.00 C ATOM 1220 C SER A 80 5.288 2.538 12.096 1.00 0.00 C ATOM 1221 O SER A 80 4.837 1.430 11.805 1.00 0.00 O ATOM 1222 CB SER A 80 6.993 2.952 13.879 1.00 0.00 C ATOM 1223 OG SER A 80 6.898 1.734 14.596 1.00 0.00 O ATOM 0 H SER A 80 7.915 4.472 12.152 1.00 0.00 H new ATOM 0 HA SER A 80 7.303 1.826 12.074 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.973 3.399 14.044 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.253 3.658 14.256 1.00 0.00 H new ATOM 0 HG SER A 80 7.043 1.904 15.550 1.00 0.00 H new ATOM 1229 N ARG A 81 4.531 3.627 12.183 1.00 0.00 N ATOM 1230 CA ARG A 81 3.095 3.581 11.936 1.00 0.00 C ATOM 1231 C ARG A 81 2.799 3.013 10.550 1.00 0.00 C ATOM 1232 O ARG A 81 2.102 2.008 10.416 1.00 0.00 O ATOM 1233 CB ARG A 81 2.489 4.980 12.065 1.00 0.00 C ATOM 1234 CG ARG A 81 2.145 5.365 13.495 1.00 0.00 C ATOM 1235 CD ARG A 81 1.354 6.662 13.548 1.00 0.00 C ATOM 1236 NE ARG A 81 0.718 6.863 14.847 1.00 0.00 N ATOM 1237 CZ ARG A 81 -0.318 7.671 15.041 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.833 8.350 14.025 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -0.842 7.801 16.253 1.00 0.00 N ATOM 0 H ARG A 81 4.888 4.552 12.423 1.00 0.00 H new ATOM 0 HA ARG A 81 2.644 2.926 12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.190 5.709 11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.587 5.033 11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.567 4.566 13.959 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.062 5.473 14.074 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.018 7.500 13.336 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.592 6.654 12.769 1.00 0.00 H new ATOM 0 HE ARG A 81 1.090 6.355 15.649 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.433 8.252 13.092 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.629 8.970 14.177 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.449 7.280 17.037 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.638 8.422 16.401 1.00 0.00 H new ATOM 1253 N ALA A 82 3.335 3.665 9.523 1.00 0.00 N ATOM 1254 CA ALA A 82 3.130 3.224 8.149 1.00 0.00 C ATOM 1255 C ALA A 82 3.444 1.740 7.996 1.00 0.00 C ATOM 1256 O ALA A 82 2.593 0.955 7.576 1.00 0.00 O ATOM 1257 CB ALA A 82 3.986 4.047 7.198 1.00 0.00 C ATOM 0 H ALA A 82 3.914 4.500 9.617 1.00 0.00 H new ATOM 0 HA ALA A 82 2.080 3.374 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.823 3.707 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.711 5.099 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.038 3.926 7.458 1.00 0.00 H new ATOM 1263 N PHE A 83 4.671 1.361 8.338 1.00 0.00 N ATOM 1264 CA PHE A 83 5.097 -0.030 8.237 1.00 0.00 C ATOM 1265 C PHE A 83 4.100 -0.956 8.927 1.00 0.00 C ATOM 1266 O PHE A 83 3.849 -2.069 8.466 1.00 0.00 O ATOM 1267 CB PHE A 83 6.486 -0.206 8.854 1.00 0.00 C ATOM 1268 CG PHE A 83 7.600 0.276 7.970 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.794 -0.275 6.714 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.454 1.281 8.396 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.820 0.167 5.899 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.481 1.727 7.585 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.663 1.170 6.335 1.00 0.00 C ATOM 0 H PHE A 83 5.388 1.997 8.687 1.00 0.00 H new ATOM 0 HA PHE A 83 5.140 -0.295 7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.525 0.333 9.801 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.643 -1.261 9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.137 -1.059 6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.316 1.721 9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.962 -0.272 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.140 2.510 7.929 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.463 1.518 5.699 1.00 0.00 H new ATOM 1283 N ASN A 84 3.536 -0.488 10.035 1.00 0.00 N ATOM 1284 CA ASN A 84 2.567 -1.274 10.790 1.00 0.00 C ATOM 1285 C ASN A 84 1.351 -1.610 9.932 1.00 0.00 C ATOM 1286 O ASN A 84 1.130 -2.767 9.575 1.00 0.00 O ATOM 1287 CB ASN A 84 2.127 -0.513 12.043 1.00 0.00 C ATOM 1288 CG ASN A 84 1.752 -1.442 13.182 1.00 0.00 C ATOM 1289 OD1 ASN A 84 1.258 -2.547 12.959 1.00 0.00 O ATOM 1290 ND2 ASN A 84 1.986 -0.995 14.410 1.00 0.00 N ATOM 0 H ASN A 84 3.733 0.431 10.430 1.00 0.00 H new ATOM 0 HA ASN A 84 3.047 -2.206 11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.933 0.146 12.366 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.275 0.121 11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.755 -1.575 15.217 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.397 -0.072 14.547 1.00 0.00 H new ATOM 1297 N PHE A 85 0.566 -0.589 9.604 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.628 -0.775 8.787 1.00 0.00 C ATOM 1299 C PHE A 85 -0.340 -1.693 7.603 1.00 0.00 C ATOM 1300 O PHE A 85 -1.104 -2.616 7.318 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.144 0.575 8.286 1.00 0.00 C ATOM 1302 CG PHE A 85 -2.177 0.457 7.202 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.499 0.181 7.513 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.827 0.623 5.872 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.451 0.071 6.517 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.775 0.515 4.872 1.00 0.00 C ATOM 1307 CZ PHE A 85 -4.089 0.240 5.195 1.00 0.00 C ATOM 0 H PHE A 85 0.735 0.375 9.891 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.393 -1.241 9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.570 1.126 9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.304 1.161 7.914 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.789 0.050 8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.801 0.839 5.613 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.477 -0.147 6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.488 0.646 3.839 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.832 0.157 4.416 1.00 0.00 H new ATOM 1317 N LEU A 86 0.768 -1.433 6.917 1.00 0.00 N ATOM 1318 CA LEU A 86 1.158 -2.235 5.763 1.00 0.00 C ATOM 1319 C LEU A 86 1.291 -3.707 6.142 1.00 0.00 C ATOM 1320 O LEU A 86 0.791 -4.586 5.441 1.00 0.00 O ATOM 1321 CB LEU A 86 2.479 -1.725 5.185 1.00 0.00 C ATOM 1322 CG LEU A 86 2.429 -0.360 4.498 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.834 0.159 4.237 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.640 -0.445 3.200 1.00 0.00 C ATOM 0 H LEU A 86 1.411 -0.674 7.140 1.00 0.00 H new ATOM 0 HA LEU A 86 0.378 -2.142 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.211 -1.677 5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.845 -2.458 4.466 1.00 0.00 H new ATOM 0 HG LEU A 86 1.923 0.341 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.778 1.131 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.366 0.259 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.367 -0.541 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.615 0.536 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.117 -1.161 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.622 -0.771 3.414 1.00 0.00 H new ATOM 1336 N ASN A 87 1.966 -3.967 7.256 1.00 0.00 N ATOM 1337 CA ASN A 87 2.163 -5.332 7.730 1.00 0.00 C ATOM 1338 C ASN A 87 0.825 -6.013 7.999 1.00 0.00 C ATOM 1339 O ASN A 87 0.674 -7.215 7.783 1.00 0.00 O ATOM 1340 CB ASN A 87 3.015 -5.336 9.001 1.00 0.00 C ATOM 1341 CG ASN A 87 4.489 -5.133 8.709 1.00 0.00 C ATOM 1342 OD1 ASN A 87 4.876 -4.847 7.576 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.320 -5.281 9.734 1.00 0.00 N ATOM 0 H ASN A 87 2.386 -3.250 7.848 1.00 0.00 H new ATOM 0 HA ASN A 87 2.684 -5.888 6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.668 -4.549 9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.878 -6.282 9.524 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.323 -5.157 9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.955 -5.518 10.656 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.144 -5.235 8.472 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.470 -5.763 8.771 1.00 0.00 C ATOM 1352 C GLU A 88 -2.156 -6.261 7.502 1.00 0.00 C ATOM 1353 O GLU A 88 -2.370 -7.462 7.330 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.331 -4.691 9.442 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.988 -4.463 10.905 1.00 0.00 C ATOM 1356 CD GLU A 88 -3.167 -3.947 11.707 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -4.316 -4.124 11.252 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -2.941 -3.366 12.789 1.00 0.00 O ATOM 0 H GLU A 88 -0.036 -4.238 8.656 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.352 -6.604 9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.216 -3.752 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.380 -4.978 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.637 -5.398 11.342 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.166 -3.750 10.975 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.499 -5.331 6.618 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.160 -5.675 5.365 1.00 0.00 C ATOM 1367 C ILE A 89 -2.294 -6.608 4.525 1.00 0.00 C ATOM 1368 O ILE A 89 -2.794 -7.549 3.908 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.491 -4.418 4.539 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.246 -3.541 4.384 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.619 -3.635 5.195 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.487 -2.289 3.570 1.00 0.00 C ATOM 0 H ILE A 89 -2.330 -4.333 6.746 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.089 -6.182 5.627 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.820 -4.729 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.885 -3.258 5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.456 -4.125 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.841 -2.750 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.508 -4.262 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.316 -3.332 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.562 -1.716 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.818 -2.564 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.254 -1.683 4.052 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.993 -6.342 4.507 1.00 0.00 N ATOM 1385 CA LYS A 90 -0.055 -7.159 3.746 1.00 0.00 C ATOM 1386 C LYS A 90 -0.146 -8.623 4.162 1.00 0.00 C ATOM 1387 O LYS A 90 -0.300 -9.510 3.322 1.00 0.00 O ATOM 1388 CB LYS A 90 1.375 -6.650 3.943 1.00 0.00 C ATOM 1389 CG LYS A 90 2.430 -7.533 3.301 1.00 0.00 C ATOM 1390 CD LYS A 90 3.825 -7.178 3.786 1.00 0.00 C ATOM 1391 CE LYS A 90 4.193 -7.953 5.042 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.558 -7.610 5.527 1.00 0.00 N ATOM 0 H LYS A 90 -0.563 -5.566 5.011 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.319 -7.082 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.454 -5.645 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.580 -6.572 5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.219 -8.578 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.383 -7.428 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.550 -7.391 3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.880 -6.108 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.466 -7.741 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.139 -9.022 4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.797 -8.208 6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.248 -7.772 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.584 -6.610 5.811 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.052 -8.870 5.464 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.126 -10.227 5.994 1.00 0.00 C ATOM 1408 C LYS A 91 -1.506 -10.831 5.750 1.00 0.00 C ATOM 1409 O LYS A 91 -1.646 -12.047 5.616 1.00 0.00 O ATOM 1410 CB LYS A 91 0.186 -10.229 7.492 1.00 0.00 C ATOM 1411 CG LYS A 91 1.666 -10.366 7.805 1.00 0.00 C ATOM 1412 CD LYS A 91 2.143 -11.798 7.627 1.00 0.00 C ATOM 1413 CE LYS A 91 3.659 -11.894 7.705 1.00 0.00 C ATOM 1414 NZ LYS A 91 4.138 -11.976 9.113 1.00 0.00 N ATOM 0 H LYS A 91 0.076 -8.148 6.173 1.00 0.00 H new ATOM 0 HA LYS A 91 0.615 -10.835 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.186 -9.304 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.354 -11.048 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.239 -9.707 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.854 -10.044 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.697 -12.429 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.802 -12.179 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.996 -12.773 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.103 -11.025 7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.176 -12.040 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.838 -11.126 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.735 -12.819 9.568 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.520 -9.974 5.694 1.00 0.00 N ATOM 1429 CA ARG A 92 -3.888 -10.424 5.466 1.00 0.00 C ATOM 1430 C ARG A 92 -4.081 -10.865 4.018 1.00 0.00 C ATOM 1431 O ARG A 92 -4.779 -11.841 3.743 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.878 -9.309 5.807 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.325 -9.315 7.260 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.638 -8.570 7.442 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.328 -8.968 8.665 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.085 -10.056 8.762 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -8.247 -10.850 7.712 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -8.681 -10.351 9.910 1.00 0.00 N ATOM 0 H ARG A 92 -2.420 -8.965 5.803 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.076 -11.278 6.116 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.420 -8.346 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.754 -9.404 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.438 -10.344 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.556 -8.855 7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.446 -7.497 7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.283 -8.758 6.584 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.223 -8.379 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.790 -10.626 6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.828 -11.685 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.558 -9.742 10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.262 -11.186 9.983 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.459 -10.138 3.095 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.564 -10.452 1.675 1.00 0.00 C ATOM 1454 C PHE A 93 -2.884 -11.782 1.361 1.00 0.00 C ATOM 1455 O PHE A 93 -3.443 -12.626 0.662 1.00 0.00 O ATOM 1456 CB PHE A 93 -2.939 -9.336 0.836 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.110 -9.529 -0.643 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -2.506 -10.595 -1.290 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -3.877 -8.646 -1.386 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -2.662 -10.775 -2.652 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -4.037 -8.821 -2.748 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.429 -9.888 -3.381 1.00 0.00 C ATOM 0 H PHE A 93 -2.877 -9.327 3.305 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.621 -10.536 1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.384 -8.384 1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.875 -9.273 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.907 -11.293 -0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.355 -7.811 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.184 -11.609 -3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.636 -8.125 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.553 -10.028 -4.445 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.675 -11.959 1.883 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.918 -13.184 1.657 1.00 0.00 C ATOM 1474 C GLN A 94 -1.492 -14.337 2.474 1.00 0.00 C ATOM 1475 O GLN A 94 -1.356 -15.504 2.103 1.00 0.00 O ATOM 1476 CB GLN A 94 0.554 -12.973 2.017 1.00 0.00 C ATOM 1477 CG GLN A 94 0.780 -12.635 3.481 1.00 0.00 C ATOM 1478 CD GLN A 94 2.240 -12.722 3.882 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.848 -11.573 4.154 1.00 0.00 O flip ATOM 1480 NE2 GLN A 94 2.815 -13.809 3.945 1.00 0.00 N flip ATOM 0 H GLN A 94 -1.199 -11.270 2.465 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.994 -13.438 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.113 -13.876 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.959 -12.170 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.412 -11.628 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.196 -13.315 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.309 -14.667 3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.798 -13.851 4.215 1.00 0.00 H new ATOM 1489 N THR A 95 -2.137 -14.004 3.588 1.00 0.00 N ATOM 1490 CA THR A 95 -2.731 -15.011 4.458 1.00 0.00 C ATOM 1491 C THR A 95 -4.113 -15.420 3.961 1.00 0.00 C ATOM 1492 O THR A 95 -4.545 -16.556 4.159 1.00 0.00 O ATOM 1493 CB THR A 95 -2.848 -14.503 5.907 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.544 -14.336 6.475 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.657 -15.472 6.756 1.00 0.00 C ATOM 0 H THR A 95 -2.261 -13.044 3.909 1.00 0.00 H new ATOM 0 HA THR A 95 -2.069 -15.877 4.437 1.00 0.00 H new ATOM 0 HB THR A 95 -3.362 -13.542 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.154 -13.495 6.158 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.726 -15.092 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.658 -15.574 6.338 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.167 -16.446 6.764 1.00 0.00 H new ATOM 1503 N THR A 96 -4.804 -14.487 3.313 1.00 0.00 N ATOM 1504 CA THR A 96 -6.138 -14.751 2.789 1.00 0.00 C ATOM 1505 C THR A 96 -6.093 -15.041 1.293 1.00 0.00 C ATOM 1506 O THR A 96 -6.355 -16.164 0.860 1.00 0.00 O ATOM 1507 CB THR A 96 -7.086 -13.563 3.041 1.00 0.00 C ATOM 1508 OG1 THR A 96 -6.919 -13.078 4.378 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.535 -13.970 2.821 1.00 0.00 C ATOM 0 H THR A 96 -4.462 -13.542 3.139 1.00 0.00 H new ATOM 0 HA THR A 96 -6.517 -15.627 3.316 1.00 0.00 H new ATOM 0 HB THR A 96 -6.837 -12.772 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.126 -12.504 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.185 -13.115 3.005 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.665 -14.311 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.794 -14.777 3.506 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.759 -14.023 0.507 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.681 -14.169 -0.941 1.00 0.00 C ATOM 1519 C TYR A 97 -4.234 -14.339 -1.395 1.00 0.00 C ATOM 1520 O TYR A 97 -3.834 -13.824 -2.438 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.305 -12.955 -1.632 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.568 -12.461 -0.964 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.663 -13.300 -0.798 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.666 -11.156 -0.497 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.820 -12.852 -0.189 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.818 -10.701 0.114 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.892 -11.552 0.266 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.042 -11.103 0.874 1.00 0.00 O ATOM 0 H TYR A 97 -5.538 -13.088 0.849 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.238 -15.064 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.575 -12.145 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.528 -13.212 -2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.609 -14.319 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.827 -10.486 -0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.663 -13.516 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.877 -9.683 0.471 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.929 -10.166 1.137 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.454 -15.067 -0.602 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.060 -15.293 -0.937 1.00 0.00 C ATOM 1540 C GLY A 98 -1.892 -16.254 -2.097 1.00 0.00 C ATOM 1541 O GLY A 98 -1.422 -15.869 -3.168 1.00 0.00 O ATOM 0 H GLY A 98 -3.762 -15.504 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.590 -14.341 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.539 -15.687 -0.064 1.00 0.00 H new ATOM 1545 N SER A 99 -2.275 -17.509 -1.884 1.00 0.00 N ATOM 1546 CA SER A 99 -2.158 -18.530 -2.919 1.00 0.00 C ATOM 1547 C SER A 99 -2.648 -17.999 -4.263 1.00 0.00 C ATOM 1548 O SER A 99 -1.909 -17.995 -5.247 1.00 0.00 O ATOM 1549 CB SER A 99 -2.956 -19.775 -2.528 1.00 0.00 C ATOM 1550 OG SER A 99 -2.193 -20.628 -1.692 1.00 0.00 O ATOM 0 H SER A 99 -2.669 -17.843 -1.004 1.00 0.00 H new ATOM 0 HA SER A 99 -1.106 -18.797 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.870 -19.478 -2.013 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.257 -20.315 -3.426 1.00 0.00 H new ATOM 0 HG SER A 99 -2.726 -21.416 -1.455 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.899 -17.552 -4.295 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.489 -17.019 -5.517 1.00 0.00 C ATOM 1558 C ARG A 100 -3.636 -15.889 -6.085 1.00 0.00 C ATOM 1559 O ARG A 100 -3.490 -15.758 -7.300 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.908 -16.516 -5.247 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.946 -17.624 -5.182 1.00 0.00 C ATOM 1562 CD ARG A 100 -8.249 -17.132 -4.574 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.118 -16.860 -3.145 1.00 0.00 N ATOM 1564 CZ ARG A 100 -9.141 -16.878 -2.297 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -10.363 -17.152 -2.732 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -8.942 -16.620 -1.010 1.00 0.00 N ATOM 0 H ARG A 100 -4.524 -17.548 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.530 -17.824 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.916 -15.967 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.190 -15.812 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.133 -18.008 -6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.558 -18.453 -4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.569 -16.225 -5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.027 -17.879 -4.731 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.191 -16.645 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.520 -17.350 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.146 -17.165 -2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.003 -16.408 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.728 -16.634 -0.360 1.00 0.00 H new ATOM 1580 N ALA A 101 -3.075 -15.074 -5.198 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.236 -13.956 -5.610 1.00 0.00 C ATOM 1582 C ALA A 101 -1.356 -14.338 -6.796 1.00 0.00 C ATOM 1583 O ALA A 101 -0.969 -13.484 -7.592 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.379 -13.482 -4.446 1.00 0.00 C ATOM 0 H ALA A 101 -3.187 -15.167 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.888 -13.140 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.757 -12.647 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.023 -13.161 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.742 -14.299 -4.107 1.00 0.00 H new ATOM 1590 N GLN A 102 -1.045 -15.626 -6.905 1.00 0.00 N ATOM 1591 CA GLN A 102 -0.210 -16.119 -7.994 1.00 0.00 C ATOM 1592 C GLN A 102 -1.062 -16.745 -9.093 1.00 0.00 C ATOM 1593 O GLN A 102 -0.729 -16.660 -10.276 1.00 0.00 O ATOM 1594 CB GLN A 102 0.797 -17.143 -7.467 1.00 0.00 C ATOM 1595 CG GLN A 102 1.685 -16.608 -6.355 1.00 0.00 C ATOM 1596 CD GLN A 102 2.443 -15.360 -6.763 1.00 0.00 C ATOM 1597 OE1 GLN A 102 1.783 -14.211 -6.679 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 3.610 -15.428 -7.150 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.358 -16.346 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 102 0.330 -15.272 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.257 -18.016 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.425 -17.480 -8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.073 -16.387 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.396 -17.380 -6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.079 -16.332 -7.199 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.108 -14.580 -7.421 1.00 0.00 H new ATOM 1607 N THR A 103 -2.163 -17.375 -8.695 1.00 0.00 N ATOM 1608 CA THR A 103 -3.062 -18.017 -9.646 1.00 0.00 C ATOM 1609 C THR A 103 -4.313 -17.177 -9.873 1.00 0.00 C ATOM 1610 O THR A 103 -5.426 -17.700 -9.906 1.00 0.00 O ATOM 1611 CB THR A 103 -3.480 -19.420 -9.166 1.00 0.00 C ATOM 1612 OG1 THR A 103 -4.192 -19.321 -7.928 1.00 0.00 O ATOM 1613 CG2 THR A 103 -2.263 -20.315 -8.986 1.00 0.00 C ATOM 0 H THR A 103 -2.453 -17.454 -7.720 1.00 0.00 H new ATOM 0 HA THR A 103 -2.515 -18.110 -10.584 1.00 0.00 H new ATOM 0 HB THR A 103 -4.127 -19.862 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.456 -20.216 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.583 -21.300 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.738 -20.411 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.595 -19.876 -8.246 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.123 -15.871 -10.031 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.236 -14.958 -10.258 1.00 0.00 C ATOM 1623 C ALA A 104 -4.827 -13.810 -11.174 1.00 0.00 C ATOM 1624 O ALA A 104 -3.645 -13.515 -11.350 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.756 -14.419 -8.933 1.00 0.00 C ATOM 0 H ALA A 104 -3.208 -15.422 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.034 -15.514 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.587 -13.738 -9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.097 -15.247 -8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.957 -13.885 -8.419 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.826 -13.146 -11.774 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.594 -12.019 -12.683 1.00 0.00 C ATOM 1633 C PRO A 105 -5.079 -10.783 -11.954 1.00 0.00 C ATOM 1634 O PRO A 105 -5.066 -10.718 -10.725 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.980 -11.751 -13.276 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.935 -12.264 -12.255 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.259 -13.443 -11.611 1.00 0.00 C ATOM 0 HA PRO A 105 -4.833 -12.247 -13.429 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.132 -10.688 -13.461 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.108 -12.262 -14.230 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.167 -11.496 -11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.878 -12.559 -12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.533 -13.538 -10.560 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.533 -14.379 -12.098 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.644 -9.777 -12.728 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.121 -8.524 -12.177 1.00 0.00 C ATOM 1647 C PRO A 106 -5.209 -7.680 -11.521 1.00 0.00 C ATOM 1648 O PRO A 106 -4.919 -6.692 -10.846 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.554 -7.806 -13.404 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.323 -8.357 -14.554 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.631 -9.786 -14.200 1.00 0.00 C ATOM 0 HA PRO A 106 -3.386 -8.700 -11.392 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.680 -6.726 -13.324 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.486 -7.995 -13.515 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.239 -7.790 -14.719 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.743 -8.299 -15.475 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.590 -10.103 -14.608 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.877 -10.469 -14.591 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.460 -8.075 -11.725 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.592 -7.353 -11.155 1.00 0.00 C ATOM 1661 C TYR A 107 -8.601 -8.319 -10.541 1.00 0.00 C ATOM 1662 O TYR A 107 -9.735 -8.427 -11.005 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.273 -6.501 -12.228 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.429 -5.340 -12.704 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.429 -4.130 -12.022 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -6.632 -5.454 -13.836 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.661 -3.066 -12.454 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -5.859 -4.396 -14.275 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.878 -3.204 -13.581 1.00 0.00 C ATOM 1670 OH TYR A 107 -5.110 -2.148 -14.014 1.00 0.00 O ATOM 0 H TYR A 107 -6.717 -8.891 -12.281 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.215 -6.701 -10.367 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.519 -7.134 -13.081 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.214 -6.118 -11.833 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.040 -4.019 -11.138 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -6.616 -6.385 -14.382 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.674 -2.132 -11.912 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -5.244 -4.502 -15.156 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.618 -2.410 -14.820 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.178 -9.018 -9.492 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.044 -9.972 -8.811 1.00 0.00 C ATOM 1682 C ALA A 108 -9.439 -9.466 -7.429 1.00 0.00 C ATOM 1683 O ALA A 108 -10.621 -9.280 -7.140 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.355 -11.325 -8.703 1.00 0.00 C ATOM 0 H ALA A 108 -7.241 -8.941 -9.096 1.00 0.00 H new ATOM 0 HA ALA A 108 -9.954 -10.085 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.013 -12.028 -8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.129 -11.699 -9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.429 -11.218 -8.138 1.00 0.00 H new ATOM 1690 N MET A 109 -8.443 -9.244 -6.577 1.00 0.00 N ATOM 1691 CA MET A 109 -8.688 -8.758 -5.224 1.00 0.00 C ATOM 1692 C MET A 109 -9.010 -7.267 -5.232 1.00 0.00 C ATOM 1693 O MET A 109 -8.427 -6.494 -4.473 1.00 0.00 O ATOM 1694 CB MET A 109 -7.472 -9.025 -4.335 1.00 0.00 C ATOM 1695 CG MET A 109 -6.715 -10.290 -4.705 1.00 0.00 C ATOM 1696 SD MET A 109 -7.811 -11.673 -5.075 1.00 0.00 S ATOM 1697 CE MET A 109 -6.621 -12.969 -5.409 1.00 0.00 C ATOM 0 H MET A 109 -7.459 -9.393 -6.800 1.00 0.00 H new ATOM 0 HA MET A 109 -9.547 -9.295 -4.822 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.793 -8.174 -4.396 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.799 -9.097 -3.298 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.083 -10.091 -5.571 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.053 -10.566 -3.884 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.897 -13.868 -4.857 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.611 -13.187 -6.477 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.629 -12.642 -5.096 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.940 -6.871 -6.095 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.337 -5.472 -6.202 1.00 0.00 C ATOM 1709 C ASN A 110 -11.554 -5.184 -5.327 1.00 0.00 C ATOM 1710 O ASN A 110 -11.508 -4.325 -4.446 1.00 0.00 O ATOM 1711 CB ASN A 110 -10.647 -5.118 -7.658 1.00 0.00 C ATOM 1712 CG ASN A 110 -11.040 -3.663 -7.828 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -12.110 -3.242 -7.387 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -10.175 -2.888 -8.471 1.00 0.00 N ATOM 0 H ASN A 110 -10.433 -7.499 -6.730 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.507 -4.857 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.773 -5.330 -8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.455 -5.754 -8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.385 -1.901 -8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.300 -3.280 -8.819 1.00 0.00 H new ATOM 1721 N SER A 111 -12.640 -5.908 -5.576 1.00 0.00 N ATOM 1722 CA SER A 111 -13.870 -5.729 -4.814 1.00 0.00 C ATOM 1723 C SER A 111 -13.681 -6.172 -3.366 1.00 0.00 C ATOM 1724 O SER A 111 -13.730 -5.357 -2.445 1.00 0.00 O ATOM 1725 CB SER A 111 -15.013 -6.518 -5.456 1.00 0.00 C ATOM 1726 OG SER A 111 -15.156 -6.184 -6.825 1.00 0.00 O ATOM 0 H SER A 111 -12.693 -6.625 -6.300 1.00 0.00 H new ATOM 0 HA SER A 111 -14.122 -4.669 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.822 -7.587 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.944 -6.310 -4.928 1.00 0.00 H new ATOM 0 HG SER A 111 -15.891 -6.702 -7.213 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.465 -7.470 -3.175 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.270 -8.022 -1.839 1.00 0.00 C ATOM 1734 C GLU A 112 -12.274 -7.183 -1.044 1.00 0.00 C ATOM 1735 O GLU A 112 -12.576 -6.716 0.055 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.779 -9.469 -1.928 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.898 -10.481 -2.104 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.829 -10.536 -0.908 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -14.542 -11.303 0.034 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -15.846 -9.810 -0.915 1.00 0.00 O ATOM 0 H GLU A 112 -13.421 -8.158 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.229 -8.003 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.085 -9.558 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.221 -9.711 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.473 -10.230 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.467 -11.468 -2.270 1.00 0.00 H new ATOM 1747 N PHE A 113 -11.084 -6.997 -1.606 1.00 0.00 N ATOM 1748 CA PHE A 113 -10.042 -6.216 -0.950 1.00 0.00 C ATOM 1749 C PHE A 113 -10.506 -4.782 -0.711 1.00 0.00 C ATOM 1750 O PHE A 113 -10.495 -4.295 0.420 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.766 -6.217 -1.794 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.507 -6.160 -0.978 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.221 -7.149 -0.050 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.609 -5.117 -1.137 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.063 -7.099 0.702 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.449 -5.062 -0.388 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.176 -6.054 0.534 1.00 0.00 C ATOM 0 H PHE A 113 -10.817 -7.377 -2.514 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.831 -6.677 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.749 -7.115 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.788 -5.364 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.911 -7.968 0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.818 -4.338 -1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.852 -7.877 1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.757 -4.244 -0.523 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.271 -6.012 1.122 1.00 0.00 H new ATOM 1767 N SER A 114 -10.913 -4.111 -1.784 1.00 0.00 N ATOM 1768 CA SER A 114 -11.376 -2.732 -1.693 1.00 0.00 C ATOM 1769 C SER A 114 -12.114 -2.492 -0.379 1.00 0.00 C ATOM 1770 O SER A 114 -11.811 -1.550 0.353 1.00 0.00 O ATOM 1771 CB SER A 114 -12.292 -2.400 -2.873 1.00 0.00 C ATOM 1772 OG SER A 114 -13.041 -1.224 -2.622 1.00 0.00 O ATOM 0 H SER A 114 -10.931 -4.501 -2.726 1.00 0.00 H new ATOM 0 HA SER A 114 -10.504 -2.079 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.695 -2.269 -3.775 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.969 -3.234 -3.057 1.00 0.00 H new ATOM 0 HG SER A 114 -12.443 -0.448 -2.627 1.00 0.00 H new ATOM 1778 N SER A 115 -13.084 -3.353 -0.087 1.00 0.00 N ATOM 1779 CA SER A 115 -13.869 -3.234 1.137 1.00 0.00 C ATOM 1780 C SER A 115 -12.996 -3.465 2.366 1.00 0.00 C ATOM 1781 O SER A 115 -13.025 -2.685 3.318 1.00 0.00 O ATOM 1782 CB SER A 115 -15.027 -4.233 1.124 1.00 0.00 C ATOM 1783 OG SER A 115 -14.563 -5.549 0.879 1.00 0.00 O ATOM 0 H SER A 115 -13.345 -4.140 -0.681 1.00 0.00 H new ATOM 0 HA SER A 115 -14.272 -2.222 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.550 -4.201 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.747 -3.949 0.357 1.00 0.00 H new ATOM 0 HG SER A 115 -13.688 -5.511 0.439 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.219 -4.544 2.339 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.337 -4.879 3.450 1.00 0.00 C ATOM 1791 C VAL A 116 -10.429 -3.707 3.804 1.00 0.00 C ATOM 1792 O VAL A 116 -10.380 -3.270 4.954 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.467 -6.108 3.124 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.429 -6.331 4.214 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.336 -7.343 2.943 1.00 0.00 C ATOM 0 H VAL A 116 -12.183 -5.201 1.559 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.975 -5.110 4.303 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.941 -5.922 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.824 -7.203 3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.787 -5.453 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.932 -6.496 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.705 -8.201 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.890 -7.536 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.036 -7.178 2.124 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.711 -3.200 2.808 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.804 -2.076 3.013 1.00 0.00 C ATOM 1807 C LEU A 117 -9.524 -0.911 3.684 1.00 0.00 C ATOM 1808 O LEU A 117 -9.069 -0.392 4.703 1.00 0.00 O ATOM 1809 CB LEU A 117 -8.211 -1.624 1.677 1.00 0.00 C ATOM 1810 CG LEU A 117 -7.060 -2.470 1.132 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.642 -1.979 -0.245 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.879 -2.445 2.091 1.00 0.00 C ATOM 0 H LEU A 117 -9.739 -3.549 1.850 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.998 -2.406 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -9.009 -1.611 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.861 -0.598 1.787 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.404 -3.500 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.822 -2.593 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.488 -2.050 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.316 -0.941 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -5.069 -3.052 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.535 -1.419 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.186 -2.846 3.057 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.650 -0.506 3.106 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.435 0.594 3.650 1.00 0.00 C ATOM 1826 C ALA A 118 -11.634 0.436 5.154 1.00 0.00 C ATOM 1827 O ALA A 118 -11.477 1.390 5.914 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.780 0.683 2.944 1.00 0.00 C ATOM 0 H ALA A 118 -11.039 -0.924 2.261 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.885 1.519 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.356 1.509 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.621 0.852 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.328 -0.249 3.086 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.982 -0.776 5.575 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.202 -1.059 6.988 1.00 0.00 C ATOM 1836 C ALA A 119 -10.928 -0.836 7.797 1.00 0.00 C ATOM 1837 O ALA A 119 -10.973 -0.308 8.908 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.701 -2.485 7.169 1.00 0.00 C ATOM 0 H ALA A 119 -12.117 -1.577 4.958 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.962 -0.370 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.861 -2.683 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.640 -2.613 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.960 -3.182 6.778 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.796 -1.242 7.233 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.510 -1.087 7.904 1.00 0.00 C ATOM 1846 C GLN A 120 -8.109 0.382 7.979 1.00 0.00 C ATOM 1847 O GLN A 120 -7.867 0.916 9.062 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.430 -1.887 7.174 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.740 -3.371 7.065 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.549 -4.104 8.379 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.465 -4.611 8.668 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.605 -4.165 9.182 1.00 0.00 N ATOM 0 H GLN A 120 -9.742 -1.681 6.314 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.610 -1.469 8.920 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.301 -1.477 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.481 -1.760 7.695 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.768 -3.500 6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -7.097 -3.818 6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.484 -3.730 8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.537 -4.646 10.079 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.040 1.031 6.822 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.668 2.440 6.756 1.00 0.00 C ATOM 1863 C LEU A 121 -8.502 3.270 7.726 1.00 0.00 C ATOM 1864 O LEU A 121 -7.964 3.945 8.604 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.845 2.968 5.331 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.628 2.850 4.414 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.055 2.859 2.955 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.641 3.975 4.690 1.00 0.00 C ATOM 0 H LEU A 121 -8.237 0.604 5.917 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.620 2.527 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.676 2.435 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.132 4.018 5.387 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.133 1.901 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.175 2.774 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.722 2.018 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.575 3.791 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.781 3.875 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.125 4.935 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.309 3.922 5.727 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.819 3.214 7.563 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.730 3.957 8.426 1.00 0.00 C ATOM 1882 C LYS A 122 -10.505 3.598 9.891 1.00 0.00 C ATOM 1883 O LYS A 122 -10.464 4.474 10.756 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.182 3.671 8.037 1.00 0.00 C ATOM 1885 CG LYS A 122 -13.125 4.829 8.312 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.545 4.507 7.880 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.525 5.576 8.340 1.00 0.00 C ATOM 1888 NZ LYS A 122 -15.705 5.563 9.818 1.00 0.00 N ATOM 0 H LYS A 122 -10.280 2.661 6.840 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.528 5.020 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.223 3.424 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.529 2.793 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -13.112 5.065 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.776 5.717 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.585 4.419 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.841 3.541 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.167 6.556 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -16.488 5.418 7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.530 6.143 10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.856 4.586 10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.855 5.951 10.275 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.359 2.305 10.164 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.136 1.831 11.525 1.00 0.00 C ATOM 1904 C HIS A 123 -9.001 2.603 12.190 1.00 0.00 C ATOM 1905 O HIS A 123 -9.162 3.144 13.284 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.818 0.335 11.521 1.00 0.00 C ATOM 1907 CG HIS A 123 -9.168 -0.142 12.783 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -9.351 0.234 14.070 1.00 0.00 N flip ATOM 1909 CD2 HIS A 123 -8.200 -1.124 12.806 1.00 0.00 C flip ATOM 1910 CE1 HIS A 123 -8.500 -0.520 14.840 1.00 0.00 C flip ATOM 1911 NE2 HIS A 123 -7.817 -1.332 14.053 1.00 0.00 N flip ATOM 0 H HIS A 123 -10.391 1.567 9.461 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.049 1.999 12.096 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.740 -0.224 11.363 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.163 0.113 10.678 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -7.815 -1.642 11.940 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -8.405 -0.459 15.914 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -7.113 -2.005 14.357 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.852 2.649 11.522 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.690 3.355 12.049 1.00 0.00 C ATOM 1922 C HIS A 124 -6.847 4.863 11.881 1.00 0.00 C ATOM 1923 O HIS A 124 -6.884 5.606 12.862 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.417 2.882 11.345 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.756 1.720 12.020 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.822 0.920 11.397 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -4.898 1.225 13.272 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -3.418 -0.018 12.236 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -4.056 0.146 13.381 1.00 0.00 N ATOM 0 H HIS A 124 -7.701 2.206 10.616 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.613 3.132 13.113 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.660 2.605 10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.711 3.711 11.293 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.552 1.608 14.042 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.691 -0.787 12.022 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -3.942 -0.435 14.212 1.00 0.00 H new