USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=32 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 HE2:sc= -5.34! C(o=-5.3!,f=-9.1!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 84 ASN :FLIP amide:sc= 0.653 F(o=-0.32,f=0.65) USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= -0.0323 USER MOD Set 3.2: A 90 LYS NZ :NH3+ 139:sc= -2.43 (180deg=-2.22!) USER MOD Set 3.3: A 94 GLN : amide:sc= -3.91 K(o=-6.4,f=-7.4!) 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+ 159:sc= -0.0883 (180deg=-0.518) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.59! K(o=-2.6!,f=-3.6) USER MOD Single : A 36 THR OG1 : rot -169:sc= 1.32 USER MOD Single : A 38 GLN : amide:sc= -0.015 K(o=-0.015,f=-0.74) 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 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.38) 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 36:sc= 1.12 USER MOD Single : A 54 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.1) USER MOD Single : A 56 ASN : amide:sc= -0.369 K(o=-0.37,f=-2.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-1.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 130:sc= -0.201 USER MOD Single : A 64 GLN : amide:sc= -0.0326 X(o=-0.033,f=-0.022) USER MOD Single : A 71 CYS SG : rot 22:sc= -4.27! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.36! C(o=-2.4!,f=-5.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 96 THR OG1 : rot 90:sc= 1.18 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= -2.9! C(o=-4.8!,f=-2.9!) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.698 USER MOD Single : A 109 MET CE :methyl -156:sc= -0.0339 (180deg=-0.886) USER MOD Single : A 110 ASN : amide:sc= -1.82! C(o=-1.8!,f=-4.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.027) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.132 F(o=-0.8,f=-0.13) USER MOD Single : A 124 HIS : no HE2:sc= -2.73 K(o=-2.7,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.112 7.327 6.935 1.00 0.00 N ATOM 94 CA ILE A 10 -2.068 6.671 5.634 1.00 0.00 C ATOM 95 C ILE A 10 -3.270 7.061 4.781 1.00 0.00 C ATOM 96 O ILE A 10 -4.379 7.230 5.291 1.00 0.00 O ATOM 97 CB ILE A 10 -2.030 5.138 5.777 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.808 4.711 6.593 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.016 4.478 4.407 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.021 3.434 7.376 1.00 0.00 C ATOM 0 HA ILE A 10 -1.154 7.005 5.143 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.927 4.815 6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.040 4.578 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.545 5.512 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.989 3.395 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.914 4.761 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.135 4.805 3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.114 3.192 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.848 3.568 8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.254 2.621 6.689 1.00 0.00 H new ATOM 112 N LEU A 11 -3.045 7.201 3.479 1.00 0.00 N ATOM 113 CA LEU A 11 -4.110 7.569 2.553 1.00 0.00 C ATOM 114 C LEU A 11 -4.118 6.647 1.338 1.00 0.00 C ATOM 115 O LEU A 11 -5.171 6.167 0.918 1.00 0.00 O ATOM 116 CB LEU A 11 -3.943 9.022 2.104 1.00 0.00 C ATOM 117 CG LEU A 11 -4.090 10.083 3.195 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.521 11.413 2.726 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.550 10.237 3.596 1.00 0.00 C ATOM 0 H LEU A 11 -2.134 7.065 3.041 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.062 7.463 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.958 9.130 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.677 9.227 1.325 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.526 9.758 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.634 12.156 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.464 11.293 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.056 11.744 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.636 10.996 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.136 10.539 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.926 9.286 3.974 1.00 0.00 H new ATOM 131 N PHE A 12 -2.937 6.403 0.779 1.00 0.00 N ATOM 132 CA PHE A 12 -2.808 5.537 -0.387 1.00 0.00 C ATOM 133 C PHE A 12 -2.183 4.199 -0.004 1.00 0.00 C ATOM 134 O PHE A 12 -1.184 4.151 0.713 1.00 0.00 O ATOM 135 CB PHE A 12 -1.962 6.219 -1.463 1.00 0.00 C ATOM 136 CG PHE A 12 -2.109 5.599 -2.824 1.00 0.00 C ATOM 137 CD1 PHE A 12 -1.279 4.565 -3.222 1.00 0.00 C ATOM 138 CD2 PHE A 12 -3.079 6.052 -3.704 1.00 0.00 C ATOM 139 CE1 PHE A 12 -1.412 3.992 -4.473 1.00 0.00 C ATOM 140 CE2 PHE A 12 -3.217 5.483 -4.956 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.382 4.453 -5.342 1.00 0.00 C ATOM 0 H PHE A 12 -2.056 6.793 1.115 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.806 5.351 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.240 7.271 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.914 6.182 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.518 4.202 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.734 6.858 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.759 3.185 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.978 5.844 -5.632 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.487 4.009 -6.321 1.00 0.00 H new ATOM 151 N ALA A 13 -2.779 3.114 -0.487 1.00 0.00 N ATOM 152 CA ALA A 13 -2.280 1.775 -0.198 1.00 0.00 C ATOM 153 C ALA A 13 -2.814 0.761 -1.204 1.00 0.00 C ATOM 154 O ALA A 13 -4.012 0.478 -1.239 1.00 0.00 O ATOM 155 CB ALA A 13 -2.658 1.366 1.218 1.00 0.00 C ATOM 0 H ALA A 13 -3.608 3.136 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.193 1.793 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.279 0.364 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.223 2.069 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.743 1.371 1.321 1.00 0.00 H new ATOM 161 N VAL A 14 -1.918 0.216 -2.021 1.00 0.00 N ATOM 162 CA VAL A 14 -2.299 -0.767 -3.027 1.00 0.00 C ATOM 163 C VAL A 14 -1.287 -1.904 -3.095 1.00 0.00 C ATOM 164 O VAL A 14 -0.140 -1.755 -2.674 1.00 0.00 O ATOM 165 CB VAL A 14 -2.426 -0.123 -4.421 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.273 1.139 -4.351 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.050 0.179 -4.995 1.00 0.00 C ATOM 0 H VAL A 14 -0.923 0.439 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.269 -1.165 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.924 -0.829 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.352 1.580 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.269 0.889 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.806 1.853 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.158 0.633 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.523 0.867 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.481 -0.747 -5.083 1.00 0.00 H new ATOM 177 N VAL A 15 -1.718 -3.042 -3.630 1.00 0.00 N ATOM 178 CA VAL A 15 -0.849 -4.206 -3.756 1.00 0.00 C ATOM 179 C VAL A 15 -0.574 -4.531 -5.219 1.00 0.00 C ATOM 180 O VAL A 15 -1.494 -4.809 -5.987 1.00 0.00 O ATOM 181 CB VAL A 15 -1.464 -5.442 -3.073 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.579 -6.662 -3.280 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.684 -5.178 -1.591 1.00 0.00 C ATOM 0 H VAL A 15 -2.664 -3.183 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 15 0.089 -3.956 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.433 -5.644 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.029 -7.526 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.478 -6.861 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.405 -6.474 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.119 -6.062 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.730 -4.950 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.361 -4.333 -1.469 1.00 0.00 H new ATOM 193 N ALA A 16 0.699 -4.495 -5.599 1.00 0.00 N ATOM 194 CA ALA A 16 1.096 -4.789 -6.970 1.00 0.00 C ATOM 195 C ALA A 16 2.378 -5.614 -7.006 1.00 0.00 C ATOM 196 O ALA A 16 3.361 -5.281 -6.343 1.00 0.00 O ATOM 197 CB ALA A 16 1.275 -3.498 -7.756 1.00 0.00 C ATOM 0 H ALA A 16 1.473 -4.265 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 16 0.304 -5.377 -7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.572 -3.733 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.335 -2.946 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.047 -2.889 -7.285 1.00 0.00 H new ATOM 203 N ARG A 17 2.360 -6.692 -7.783 1.00 0.00 N ATOM 204 CA ARG A 17 3.521 -7.567 -7.903 1.00 0.00 C ATOM 205 C ARG A 17 4.507 -7.023 -8.933 1.00 0.00 C ATOM 206 O ARG A 17 4.356 -7.250 -10.132 1.00 0.00 O ATOM 207 CB ARG A 17 3.084 -8.979 -8.296 1.00 0.00 C ATOM 208 CG ARG A 17 1.695 -9.347 -7.800 1.00 0.00 C ATOM 209 CD ARG A 17 1.439 -10.841 -7.920 1.00 0.00 C ATOM 210 NE ARG A 17 2.375 -11.623 -7.117 1.00 0.00 N ATOM 211 CZ ARG A 17 2.113 -12.844 -6.664 1.00 0.00 C ATOM 212 NH1 ARG A 17 0.950 -13.420 -6.935 1.00 0.00 N ATOM 213 NH2 ARG A 17 3.016 -13.492 -5.940 1.00 0.00 N ATOM 0 H ARG A 17 1.555 -6.981 -8.339 1.00 0.00 H new ATOM 0 HA ARG A 17 4.018 -7.605 -6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.108 -9.069 -9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.804 -9.696 -7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.586 -9.040 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.946 -8.801 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.419 -11.061 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.520 -11.140 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 17 3.280 -11.209 -6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.254 -12.926 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.752 -14.358 -6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.912 -13.053 -5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.814 -14.429 -5.593 1.00 0.00 H new ATOM 227 N GLY A 18 5.517 -6.301 -8.455 1.00 0.00 N ATOM 228 CA GLY A 18 6.512 -5.736 -9.347 1.00 0.00 C ATOM 229 C GLY A 18 5.935 -4.670 -10.258 1.00 0.00 C ATOM 230 O GLY A 18 6.138 -3.476 -10.037 1.00 0.00 O ATOM 0 H GLY A 18 5.663 -6.098 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.322 -5.306 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.946 -6.531 -9.953 1.00 0.00 H new ATOM 234 N THR A 19 5.214 -5.102 -11.288 1.00 0.00 N ATOM 235 CA THR A 19 4.608 -4.178 -12.238 1.00 0.00 C ATOM 236 C THR A 19 3.158 -4.552 -12.521 1.00 0.00 C ATOM 237 O THR A 19 2.519 -3.981 -13.407 1.00 0.00 O ATOM 238 CB THR A 19 5.387 -4.147 -13.567 1.00 0.00 C ATOM 239 OG1 THR A 19 5.902 -5.450 -13.863 1.00 0.00 O ATOM 240 CG2 THR A 19 6.531 -3.147 -13.501 1.00 0.00 C ATOM 0 H THR A 19 5.036 -6.087 -11.485 1.00 0.00 H new ATOM 0 HA THR A 19 4.643 -3.189 -11.782 1.00 0.00 H new ATOM 0 HB THR A 19 4.702 -3.839 -14.357 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.394 -5.423 -14.710 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.066 -3.143 -14.451 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.133 -2.151 -13.305 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.215 -3.429 -12.700 1.00 0.00 H new ATOM 248 N THR A 20 2.641 -5.514 -11.763 1.00 0.00 N ATOM 249 CA THR A 20 1.265 -5.965 -11.933 1.00 0.00 C ATOM 250 C THR A 20 0.414 -5.600 -10.722 1.00 0.00 C ATOM 251 O THR A 20 0.704 -6.015 -9.600 1.00 0.00 O ATOM 252 CB THR A 20 1.196 -7.487 -12.154 1.00 0.00 C ATOM 253 OG1 THR A 20 1.970 -7.851 -13.303 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.243 -7.942 -12.342 1.00 0.00 C ATOM 0 H THR A 20 3.155 -5.996 -11.025 1.00 0.00 H new ATOM 0 HA THR A 20 0.873 -5.459 -12.815 1.00 0.00 H new ATOM 0 HB THR A 20 1.604 -7.979 -11.271 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.922 -8.821 -13.436 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.266 -9.021 -12.496 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.823 -7.690 -11.454 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.672 -7.442 -13.210 1.00 0.00 H new ATOM 262 N ILE A 21 -0.638 -4.822 -10.957 1.00 0.00 N ATOM 263 CA ILE A 21 -1.532 -4.403 -9.885 1.00 0.00 C ATOM 264 C ILE A 21 -2.710 -5.362 -9.745 1.00 0.00 C ATOM 265 O ILE A 21 -3.471 -5.569 -10.691 1.00 0.00 O ATOM 266 CB ILE A 21 -2.069 -2.979 -10.123 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.919 -2.027 -10.459 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.830 -2.489 -8.901 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.377 -0.711 -11.047 1.00 0.00 C ATOM 0 H ILE A 21 -0.892 -4.470 -11.880 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.947 -4.413 -8.965 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.756 -3.002 -10.969 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.344 -1.831 -9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.247 -2.516 -11.164 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.203 -1.481 -9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.669 -3.156 -8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.164 -2.478 -8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.510 -0.086 -11.261 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.927 -0.896 -11.970 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.025 -0.200 -10.335 1.00 0.00 H new ATOM 281 N LEU A 22 -2.855 -5.943 -8.560 1.00 0.00 N ATOM 282 CA LEU A 22 -3.943 -6.879 -8.295 1.00 0.00 C ATOM 283 C LEU A 22 -5.159 -6.154 -7.728 1.00 0.00 C ATOM 284 O LEU A 22 -6.242 -6.188 -8.311 1.00 0.00 O ATOM 285 CB LEU A 22 -3.482 -7.964 -7.321 1.00 0.00 C ATOM 286 CG LEU A 22 -2.357 -8.875 -7.814 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.617 -9.495 -6.639 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.910 -9.958 -8.729 1.00 0.00 C ATOM 0 H LEU A 22 -2.234 -5.783 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.228 -7.344 -9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.155 -7.482 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.341 -8.585 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.651 -8.271 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.820 -10.140 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.187 -8.706 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.312 -10.085 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.095 -10.597 -9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.638 -10.558 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.393 -9.495 -9.590 1.00 0.00 H new ATOM 300 N ALA A 23 -4.972 -5.497 -6.588 1.00 0.00 N ATOM 301 CA ALA A 23 -6.052 -4.761 -5.944 1.00 0.00 C ATOM 302 C ALA A 23 -5.581 -3.386 -5.483 1.00 0.00 C ATOM 303 O ALA A 23 -4.618 -3.270 -4.724 1.00 0.00 O ATOM 304 CB ALA A 23 -6.604 -5.553 -4.768 1.00 0.00 C ATOM 0 H ALA A 23 -4.082 -5.460 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.847 -4.618 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.410 -4.991 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.988 -6.510 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.810 -5.727 -4.042 1.00 0.00 H new ATOM 310 N LYS A 24 -6.264 -2.345 -5.947 1.00 0.00 N ATOM 311 CA LYS A 24 -5.916 -0.977 -5.582 1.00 0.00 C ATOM 312 C LYS A 24 -7.101 -0.269 -4.933 1.00 0.00 C ATOM 313 O LYS A 24 -8.238 -0.394 -5.389 1.00 0.00 O ATOM 314 CB LYS A 24 -5.458 -0.198 -6.817 1.00 0.00 C ATOM 315 CG LYS A 24 -6.519 -0.097 -7.900 1.00 0.00 C ATOM 316 CD LYS A 24 -6.267 1.089 -8.817 1.00 0.00 C ATOM 317 CE LYS A 24 -7.454 1.346 -9.733 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.692 1.654 -8.964 1.00 0.00 N ATOM 0 H LYS A 24 -7.062 -2.423 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.099 -1.017 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.163 0.807 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.572 -0.679 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.531 -1.016 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.502 -0.000 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.069 1.978 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.376 0.904 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.225 2.177 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.625 0.471 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.365 2.158 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.124 0.768 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.453 2.251 -8.146 1.00 0.00 H new ATOM 332 N HIS A 25 -6.828 0.476 -3.866 1.00 0.00 N ATOM 333 CA HIS A 25 -7.872 1.206 -3.155 1.00 0.00 C ATOM 334 C HIS A 25 -7.285 2.393 -2.397 1.00 0.00 C ATOM 335 O HIS A 25 -6.582 2.220 -1.402 1.00 0.00 O ATOM 336 CB HIS A 25 -8.602 0.277 -2.185 1.00 0.00 C ATOM 337 CG HIS A 25 -9.309 1.001 -1.081 1.00 0.00 C ATOM 338 ND1 HIS A 25 -8.654 1.541 0.005 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.623 1.274 -0.900 1.00 0.00 C ATOM 340 CE1 HIS A 25 -9.533 2.114 0.808 1.00 0.00 C ATOM 341 NE2 HIS A 25 -10.736 1.966 0.281 1.00 0.00 N ATOM 0 H HIS A 25 -5.893 0.590 -3.475 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.583 1.583 -3.890 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.327 -0.318 -2.741 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.884 -0.419 -1.751 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.647 1.504 0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.431 0.999 -1.561 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.307 2.617 1.736 1.00 0.00 H new ATOM 350 N ALA A 26 -7.577 3.598 -2.876 1.00 0.00 N ATOM 351 CA ALA A 26 -7.080 4.813 -2.242 1.00 0.00 C ATOM 352 C ALA A 26 -8.204 5.822 -2.032 1.00 0.00 C ATOM 353 O ALA A 26 -9.258 5.731 -2.661 1.00 0.00 O ATOM 354 CB ALA A 26 -5.967 5.426 -3.079 1.00 0.00 C ATOM 0 H ALA A 26 -8.155 3.759 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.680 4.546 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.605 6.333 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.148 4.713 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.350 5.672 -4.069 1.00 0.00 H new ATOM 360 N TRP A 27 -7.972 6.781 -1.143 1.00 0.00 N ATOM 361 CA TRP A 27 -8.966 7.807 -0.849 1.00 0.00 C ATOM 362 C TRP A 27 -9.083 8.798 -2.002 1.00 0.00 C ATOM 363 O TRP A 27 -8.142 8.976 -2.777 1.00 0.00 O ATOM 364 CB TRP A 27 -8.601 8.545 0.439 1.00 0.00 C ATOM 365 CG TRP A 27 -8.871 7.747 1.679 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.226 6.612 2.079 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.860 8.022 2.677 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.754 6.165 3.266 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.757 7.013 3.655 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.821 9.023 2.842 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.579 6.978 4.777 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.636 8.987 3.956 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.511 7.971 4.913 1.00 0.00 C ATOM 0 H TRP A 27 -7.105 6.870 -0.613 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.930 7.316 -0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.544 8.811 0.410 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.163 9.478 0.486 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.419 6.136 1.541 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.449 5.336 3.775 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.924 9.811 2.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.485 6.195 5.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.383 9.755 4.092 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.163 7.972 5.774 1.00 0.00 H new ATOM 384 N CYS A 28 -10.240 9.440 -2.109 1.00 0.00 N ATOM 385 CA CYS A 28 -10.479 10.414 -3.169 1.00 0.00 C ATOM 386 C CYS A 28 -9.763 11.727 -2.872 1.00 0.00 C ATOM 387 O CYS A 28 -10.061 12.400 -1.886 1.00 0.00 O ATOM 388 CB CYS A 28 -11.979 10.662 -3.333 1.00 0.00 C ATOM 389 SG CYS A 28 -12.391 11.880 -4.604 1.00 0.00 S ATOM 0 H CYS A 28 -11.028 9.304 -1.475 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.082 10.007 -4.099 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.468 9.719 -3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.388 10.996 -2.379 1.00 0.00 H new ATOM 0 HG CYS A 28 -13.682 12.019 -4.669 1.00 0.00 H new ATOM 395 N GLY A 29 -8.815 12.086 -3.733 1.00 0.00 N ATOM 396 CA GLY A 29 -8.069 13.316 -3.545 1.00 0.00 C ATOM 397 C GLY A 29 -7.300 13.724 -4.786 1.00 0.00 C ATOM 398 O GLY A 29 -7.690 14.656 -5.488 1.00 0.00 O ATOM 0 H GLY A 29 -8.551 11.546 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.756 14.115 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.374 13.192 -2.715 1.00 0.00 H new ATOM 402 N GLY A 30 -6.202 13.025 -5.057 1.00 0.00 N ATOM 403 CA GLY A 30 -5.393 13.336 -6.221 1.00 0.00 C ATOM 404 C GLY A 30 -4.972 12.095 -6.982 1.00 0.00 C ATOM 405 O GLY A 30 -5.343 10.980 -6.618 1.00 0.00 O ATOM 0 H GLY A 30 -5.858 12.249 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.955 13.993 -6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.505 13.884 -5.907 1.00 0.00 H new ATOM 409 N ASN A 31 -4.196 12.288 -8.044 1.00 0.00 N ATOM 410 CA ASN A 31 -3.726 11.175 -8.860 1.00 0.00 C ATOM 411 C ASN A 31 -2.435 10.592 -8.294 1.00 0.00 C ATOM 412 O ASN A 31 -1.358 11.166 -8.458 1.00 0.00 O ATOM 413 CB ASN A 31 -3.502 11.633 -10.303 1.00 0.00 C ATOM 414 CG ASN A 31 -3.520 10.477 -11.285 1.00 0.00 C ATOM 415 OD1 ASN A 31 -3.462 9.312 -10.891 1.00 0.00 O ATOM 416 ND2 ASN A 31 -3.602 10.796 -12.572 1.00 0.00 N ATOM 0 H ASN A 31 -3.880 13.205 -8.359 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.491 10.399 -8.846 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.274 12.352 -10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.545 12.151 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.619 10.061 -13.279 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.648 11.776 -12.853 1.00 0.00 H new ATOM 423 N PHE A 32 -2.550 9.449 -7.627 1.00 0.00 N ATOM 424 CA PHE A 32 -1.393 8.788 -7.036 1.00 0.00 C ATOM 425 C PHE A 32 -0.974 7.578 -7.867 1.00 0.00 C ATOM 426 O PHE A 32 0.216 7.319 -8.051 1.00 0.00 O ATOM 427 CB PHE A 32 -1.704 8.352 -5.603 1.00 0.00 C ATOM 428 CG PHE A 32 -1.425 9.416 -4.579 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.205 10.072 -4.558 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.383 9.759 -3.639 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.054 11.050 -3.617 1.00 0.00 C ATOM 432 CE2 PHE A 32 -2.130 10.737 -2.695 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.910 11.384 -2.685 1.00 0.00 C ATOM 0 H PHE A 32 -3.434 8.961 -7.482 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.568 9.501 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.753 8.063 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.115 7.466 -5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.552 9.816 -5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.339 9.256 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.010 11.553 -3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.885 10.994 -1.967 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.710 12.150 -1.950 1.00 0.00 H new ATOM 443 N LEU A 33 -1.959 6.841 -8.367 1.00 0.00 N ATOM 444 CA LEU A 33 -1.695 5.658 -9.178 1.00 0.00 C ATOM 445 C LEU A 33 -0.567 5.921 -10.172 1.00 0.00 C ATOM 446 O LEU A 33 0.106 4.993 -10.619 1.00 0.00 O ATOM 447 CB LEU A 33 -2.960 5.235 -9.926 1.00 0.00 C ATOM 448 CG LEU A 33 -2.890 3.895 -10.659 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.940 2.741 -9.670 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.020 3.781 -11.672 1.00 0.00 C ATOM 0 H LEU A 33 -2.949 7.042 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.388 4.852 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.783 5.194 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.206 6.011 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.942 3.846 -11.195 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.889 1.796 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.096 2.813 -8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.871 2.786 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.954 2.821 -12.184 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.978 3.853 -11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.938 4.587 -12.401 1.00 0.00 H new ATOM 462 N GLU A 34 -0.367 7.191 -10.510 1.00 0.00 N ATOM 463 CA GLU A 34 0.680 7.574 -11.450 1.00 0.00 C ATOM 464 C GLU A 34 2.062 7.383 -10.832 1.00 0.00 C ATOM 465 O GLU A 34 2.862 6.579 -11.309 1.00 0.00 O ATOM 466 CB GLU A 34 0.499 9.031 -11.882 1.00 0.00 C ATOM 467 CG GLU A 34 -0.691 9.250 -12.801 1.00 0.00 C ATOM 468 CD GLU A 34 -0.843 10.698 -13.224 1.00 0.00 C ATOM 469 OE1 GLU A 34 -0.600 11.589 -12.383 1.00 0.00 O ATOM 470 OE2 GLU A 34 -1.206 10.941 -14.394 1.00 0.00 O ATOM 0 H GLU A 34 -0.915 7.971 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 34 0.601 6.930 -12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.381 9.652 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.404 9.366 -12.388 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.580 8.626 -13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.600 8.926 -12.295 1.00 0.00 H new ATOM 477 N VAL A 35 2.336 8.130 -9.766 1.00 0.00 N ATOM 478 CA VAL A 35 3.620 8.044 -9.082 1.00 0.00 C ATOM 479 C VAL A 35 3.886 6.626 -8.589 1.00 0.00 C ATOM 480 O VAL A 35 5.012 6.133 -8.659 1.00 0.00 O ATOM 481 CB VAL A 35 3.685 9.012 -7.886 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.938 8.436 -6.692 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.131 9.317 -7.525 1.00 0.00 C ATOM 0 H VAL A 35 1.685 8.801 -9.358 1.00 0.00 H new ATOM 0 HA VAL A 35 4.384 8.323 -9.807 1.00 0.00 H new ATOM 0 HB VAL A 35 3.201 9.947 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.995 9.134 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.894 8.274 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.390 7.487 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.158 10.002 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.643 8.392 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.630 9.776 -8.379 1.00 0.00 H new ATOM 493 N THR A 36 2.841 5.973 -8.090 1.00 0.00 N ATOM 494 CA THR A 36 2.961 4.612 -7.584 1.00 0.00 C ATOM 495 C THR A 36 3.486 3.669 -8.661 1.00 0.00 C ATOM 496 O THR A 36 4.519 3.025 -8.484 1.00 0.00 O ATOM 497 CB THR A 36 1.609 4.082 -7.070 1.00 0.00 C ATOM 498 OG1 THR A 36 1.228 4.784 -5.882 1.00 0.00 O ATOM 499 CG2 THR A 36 1.687 2.591 -6.781 1.00 0.00 C ATOM 0 H THR A 36 1.902 6.365 -8.026 1.00 0.00 H new ATOM 0 HA THR A 36 3.669 4.645 -6.756 1.00 0.00 H new ATOM 0 HB THR A 36 0.860 4.247 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.468 4.329 -5.463 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.721 2.239 -6.419 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.949 2.057 -7.694 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.447 2.407 -6.022 1.00 0.00 H new ATOM 507 N GLU A 37 2.768 3.595 -9.777 1.00 0.00 N ATOM 508 CA GLU A 37 3.164 2.731 -10.883 1.00 0.00 C ATOM 509 C GLU A 37 4.620 2.972 -11.269 1.00 0.00 C ATOM 510 O GLU A 37 5.418 2.038 -11.336 1.00 0.00 O ATOM 511 CB GLU A 37 2.258 2.967 -12.094 1.00 0.00 C ATOM 512 CG GLU A 37 0.902 2.290 -11.981 1.00 0.00 C ATOM 513 CD GLU A 37 0.323 1.915 -13.331 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.344 2.771 -13.949 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.538 0.766 -13.770 1.00 0.00 O ATOM 0 H GLU A 37 1.910 4.122 -9.939 1.00 0.00 H new ATOM 0 HA GLU A 37 3.060 1.696 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.110 4.039 -12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.762 2.605 -12.990 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.998 1.393 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.210 2.955 -11.465 1.00 0.00 H new ATOM 522 N GLN A 38 4.958 4.233 -11.521 1.00 0.00 N ATOM 523 CA GLN A 38 6.317 4.598 -11.902 1.00 0.00 C ATOM 524 C GLN A 38 7.333 3.990 -10.940 1.00 0.00 C ATOM 525 O GLN A 38 8.373 3.482 -11.360 1.00 0.00 O ATOM 526 CB GLN A 38 6.470 6.119 -11.930 1.00 0.00 C ATOM 527 CG GLN A 38 5.670 6.791 -13.034 1.00 0.00 C ATOM 528 CD GLN A 38 6.300 6.615 -14.402 1.00 0.00 C ATOM 529 OE1 GLN A 38 7.523 6.637 -14.542 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.466 6.440 -15.420 1.00 0.00 N ATOM 0 H GLN A 38 4.309 5.018 -11.468 1.00 0.00 H new ATOM 0 HA GLN A 38 6.507 4.203 -12.900 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.158 6.525 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.524 6.368 -12.054 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.661 6.380 -13.048 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.578 7.855 -12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.459 6.429 -15.258 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.832 6.317 -16.364 1.00 0.00 H new ATOM 539 N ILE A 39 7.025 4.046 -9.649 1.00 0.00 N ATOM 540 CA ILE A 39 7.911 3.501 -8.628 1.00 0.00 C ATOM 541 C ILE A 39 7.919 1.977 -8.664 1.00 0.00 C ATOM 542 O ILE A 39 8.959 1.345 -8.476 1.00 0.00 O ATOM 543 CB ILE A 39 7.501 3.968 -7.219 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.677 5.482 -7.088 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.318 3.241 -6.161 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.112 5.938 -7.231 1.00 0.00 C ATOM 0 H ILE A 39 6.168 4.463 -9.285 1.00 0.00 H new ATOM 0 HA ILE A 39 8.912 3.873 -8.848 1.00 0.00 H new ATOM 0 HB ILE A 39 6.449 3.729 -7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.070 5.977 -7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.298 5.801 -6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.017 3.582 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.147 2.168 -6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.377 3.452 -6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.161 7.022 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.721 5.471 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.489 5.650 -8.212 1.00 0.00 H new ATOM 558 N LEU A 40 6.752 1.390 -8.909 1.00 0.00 N ATOM 559 CA LEU A 40 6.624 -0.061 -8.973 1.00 0.00 C ATOM 560 C LEU A 40 7.623 -0.654 -9.962 1.00 0.00 C ATOM 561 O LEU A 40 8.282 -1.651 -9.671 1.00 0.00 O ATOM 562 CB LEU A 40 5.200 -0.450 -9.375 1.00 0.00 C ATOM 563 CG LEU A 40 4.134 -0.313 -8.286 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.752 -0.594 -8.855 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.435 -1.247 -7.124 1.00 0.00 C ATOM 0 H LEU A 40 5.881 1.897 -9.066 1.00 0.00 H new ATOM 0 HA LEU A 40 6.839 -0.463 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.903 0.164 -10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.210 -1.485 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 40 4.150 0.712 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.006 -0.492 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.536 0.116 -9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.722 -1.608 -9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.666 -1.136 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.447 -2.277 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.408 -0.998 -6.700 1.00 0.00 H new ATOM 577 N ALA A 41 7.730 -0.031 -11.131 1.00 0.00 N ATOM 578 CA ALA A 41 8.652 -0.494 -12.161 1.00 0.00 C ATOM 579 C ALA A 41 10.100 -0.374 -11.696 1.00 0.00 C ATOM 580 O ALA A 41 11.021 -0.824 -12.378 1.00 0.00 O ATOM 581 CB ALA A 41 8.442 0.290 -13.448 1.00 0.00 C ATOM 0 H ALA A 41 7.190 0.795 -11.388 1.00 0.00 H new ATOM 0 HA ALA A 41 8.446 -1.547 -12.352 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.137 -0.066 -14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.419 0.149 -13.797 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.619 1.349 -13.262 1.00 0.00 H new ATOM 587 N LYS A 42 10.294 0.237 -10.532 1.00 0.00 N ATOM 588 CA LYS A 42 11.629 0.416 -9.975 1.00 0.00 C ATOM 589 C LYS A 42 11.822 -0.449 -8.734 1.00 0.00 C ATOM 590 O LYS A 42 12.934 -0.887 -8.438 1.00 0.00 O ATOM 591 CB LYS A 42 11.865 1.887 -9.626 1.00 0.00 C ATOM 592 CG LYS A 42 12.218 2.749 -10.826 1.00 0.00 C ATOM 593 CD LYS A 42 12.151 4.229 -10.489 1.00 0.00 C ATOM 594 CE LYS A 42 12.209 5.089 -11.742 1.00 0.00 C ATOM 595 NZ LYS A 42 13.607 5.286 -12.216 1.00 0.00 N ATOM 0 H LYS A 42 9.543 0.617 -9.956 1.00 0.00 H new ATOM 0 HA LYS A 42 12.354 0.106 -10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.968 2.288 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.669 1.953 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.221 2.499 -11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.534 2.530 -11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.230 4.438 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.978 4.491 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.621 4.621 -12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.755 6.059 -11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.603 5.877 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.163 5.756 -11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.033 4.363 -12.435 1.00 0.00 H new ATOM 609 N ILE A 43 10.733 -0.694 -8.014 1.00 0.00 N ATOM 610 CA ILE A 43 10.782 -1.509 -6.807 1.00 0.00 C ATOM 611 C ILE A 43 11.125 -2.958 -7.136 1.00 0.00 C ATOM 612 O ILE A 43 10.470 -3.606 -7.954 1.00 0.00 O ATOM 613 CB ILE A 43 9.445 -1.470 -6.045 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.170 -0.057 -5.526 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.459 -2.469 -4.898 1.00 0.00 C ATOM 616 CD1 ILE A 43 7.862 0.067 -4.776 1.00 0.00 C ATOM 0 H ILE A 43 9.805 -0.339 -8.246 1.00 0.00 H new ATOM 0 HA ILE A 43 11.563 -1.087 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 43 8.644 -1.747 -6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.986 0.246 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.164 0.636 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.507 -2.429 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.613 -3.473 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.267 -2.221 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.733 1.095 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.037 -0.204 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.872 -0.600 -3.914 1.00 0.00 H new ATOM 628 N PRO A 44 12.174 -3.481 -6.485 1.00 0.00 N ATOM 629 CA PRO A 44 12.626 -4.861 -6.690 1.00 0.00 C ATOM 630 C PRO A 44 11.643 -5.882 -6.128 1.00 0.00 C ATOM 631 O PRO A 44 10.762 -5.541 -5.339 1.00 0.00 O ATOM 632 CB PRO A 44 13.951 -4.917 -5.926 1.00 0.00 C ATOM 633 CG PRO A 44 13.833 -3.858 -4.885 1.00 0.00 C ATOM 634 CD PRO A 44 13.000 -2.767 -5.497 1.00 0.00 C ATOM 0 HA PRO A 44 12.718 -5.107 -7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.108 -5.898 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.797 -4.730 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.363 -4.249 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.815 -3.484 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.387 -2.263 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.620 -2.004 -5.968 1.00 0.00 H new ATOM 642 N SER A 45 11.799 -7.136 -6.540 1.00 0.00 N ATOM 643 CA SER A 45 10.923 -8.207 -6.080 1.00 0.00 C ATOM 644 C SER A 45 11.692 -9.208 -5.222 1.00 0.00 C ATOM 645 O SER A 45 11.410 -10.405 -5.245 1.00 0.00 O ATOM 646 CB SER A 45 10.288 -8.924 -7.274 1.00 0.00 C ATOM 647 OG SER A 45 9.611 -8.008 -8.117 1.00 0.00 O ATOM 0 H SER A 45 12.524 -7.435 -7.192 1.00 0.00 H new ATOM 0 HA SER A 45 10.136 -7.762 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.059 -9.444 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.589 -9.681 -6.918 1.00 0.00 H new ATOM 0 HG SER A 45 9.216 -8.490 -8.873 1.00 0.00 H new ATOM 653 N GLU A 46 12.665 -8.706 -4.468 1.00 0.00 N ATOM 654 CA GLU A 46 13.475 -9.555 -3.603 1.00 0.00 C ATOM 655 C GLU A 46 13.204 -9.252 -2.132 1.00 0.00 C ATOM 656 O GLU A 46 12.967 -8.104 -1.758 1.00 0.00 O ATOM 657 CB GLU A 46 14.962 -9.362 -3.909 1.00 0.00 C ATOM 658 CG GLU A 46 15.324 -9.627 -5.360 1.00 0.00 C ATOM 659 CD GLU A 46 15.163 -8.400 -6.236 1.00 0.00 C ATOM 660 OE1 GLU A 46 15.752 -7.351 -5.899 1.00 0.00 O ATOM 661 OE2 GLU A 46 14.450 -8.487 -7.257 1.00 0.00 O ATOM 0 H GLU A 46 12.911 -7.717 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 46 13.202 -10.592 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.248 -8.342 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.545 -10.026 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.355 -9.975 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.696 -10.429 -5.746 1.00 0.00 H new ATOM 668 N ASN A 47 13.239 -10.290 -1.303 1.00 0.00 N ATOM 669 CA ASN A 47 12.996 -10.135 0.126 1.00 0.00 C ATOM 670 C ASN A 47 13.841 -9.004 0.703 1.00 0.00 C ATOM 671 O ASN A 47 14.956 -9.226 1.173 1.00 0.00 O ATOM 672 CB ASN A 47 13.303 -11.442 0.861 1.00 0.00 C ATOM 673 CG ASN A 47 12.166 -12.440 0.766 1.00 0.00 C ATOM 674 OD1 ASN A 47 11.296 -12.492 1.635 1.00 0.00 O ATOM 675 ND2 ASN A 47 12.168 -13.239 -0.295 1.00 0.00 N ATOM 0 H ASN A 47 13.433 -11.247 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 47 11.944 -9.885 0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.208 -11.886 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.507 -11.226 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.428 -13.931 -0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.910 -13.161 -0.991 1.00 0.00 H new ATOM 682 N ASN A 48 13.302 -7.789 0.662 1.00 0.00 N ATOM 683 CA ASN A 48 14.006 -6.622 1.180 1.00 0.00 C ATOM 684 C ASN A 48 13.112 -5.387 1.144 1.00 0.00 C ATOM 685 O ASN A 48 12.217 -5.278 0.305 1.00 0.00 O ATOM 686 CB ASN A 48 15.279 -6.368 0.370 1.00 0.00 C ATOM 687 CG ASN A 48 15.927 -5.040 0.713 1.00 0.00 C ATOM 688 OD1 ASN A 48 16.573 -4.902 1.752 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.755 -4.055 -0.161 1.00 0.00 N ATOM 0 H ASN A 48 12.380 -7.588 0.275 1.00 0.00 H new ATOM 0 HA ASN A 48 14.277 -6.822 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.990 -7.174 0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.040 -6.389 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.166 -3.139 0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.212 -4.215 -1.009 1.00 0.00 H new ATOM 696 N LYS A 49 13.360 -4.457 2.060 1.00 0.00 N ATOM 697 CA LYS A 49 12.580 -3.227 2.134 1.00 0.00 C ATOM 698 C LYS A 49 13.486 -2.003 2.065 1.00 0.00 C ATOM 699 O LYS A 49 14.681 -2.085 2.352 1.00 0.00 O ATOM 700 CB LYS A 49 11.760 -3.196 3.426 1.00 0.00 C ATOM 701 CG LYS A 49 12.605 -3.285 4.685 1.00 0.00 C ATOM 702 CD LYS A 49 11.797 -3.801 5.863 1.00 0.00 C ATOM 703 CE LYS A 49 11.513 -5.289 5.736 1.00 0.00 C ATOM 704 NZ LYS A 49 10.728 -5.805 6.892 1.00 0.00 N ATOM 0 H LYS A 49 14.096 -4.532 2.762 1.00 0.00 H new ATOM 0 HA LYS A 49 11.903 -3.204 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.177 -2.276 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.050 -4.023 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.454 -3.945 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.010 -2.301 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.340 -3.611 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.856 -3.254 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.965 -5.477 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.455 -5.834 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.555 -6.823 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.261 -5.649 7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.818 -5.303 6.946 1.00 0.00 H new ATOM 718 N LEU A 50 12.911 -0.867 1.683 1.00 0.00 N ATOM 719 CA LEU A 50 13.668 0.376 1.578 1.00 0.00 C ATOM 720 C LEU A 50 12.754 1.585 1.747 1.00 0.00 C ATOM 721 O LEU A 50 11.595 1.566 1.330 1.00 0.00 O ATOM 722 CB LEU A 50 14.383 0.448 0.228 1.00 0.00 C ATOM 723 CG LEU A 50 14.992 1.802 -0.138 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.236 1.614 -0.992 1.00 0.00 C ATOM 725 CD2 LEU A 50 13.971 2.668 -0.862 1.00 0.00 C ATOM 0 H LEU A 50 11.924 -0.781 1.441 1.00 0.00 H new ATOM 0 HA LEU A 50 14.410 0.390 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.177 -0.299 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.674 0.168 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 50 15.281 2.310 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.656 2.588 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.973 1.033 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.972 1.086 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.422 3.628 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.650 2.166 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.109 2.831 -0.216 1.00 0.00 H new ATOM 737 N THR A 51 13.283 2.639 2.362 1.00 0.00 N ATOM 738 CA THR A 51 12.516 3.858 2.586 1.00 0.00 C ATOM 739 C THR A 51 12.717 4.851 1.447 1.00 0.00 C ATOM 740 O THR A 51 13.813 5.380 1.258 1.00 0.00 O ATOM 741 CB THR A 51 12.907 4.531 3.914 1.00 0.00 C ATOM 742 OG1 THR A 51 12.823 3.586 4.987 1.00 0.00 O ATOM 743 CG2 THR A 51 12.001 5.718 4.206 1.00 0.00 C ATOM 0 H THR A 51 14.240 2.672 2.714 1.00 0.00 H new ATOM 0 HA THR A 51 11.466 3.568 2.630 1.00 0.00 H new ATOM 0 HB THR A 51 13.933 4.889 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.075 4.022 5.828 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.296 6.178 5.149 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.089 6.449 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.968 5.378 4.276 1.00 0.00 H new ATOM 751 N TYR A 52 11.654 5.100 0.691 1.00 0.00 N ATOM 752 CA TYR A 52 11.715 6.030 -0.431 1.00 0.00 C ATOM 753 C TYR A 52 11.035 7.350 -0.082 1.00 0.00 C ATOM 754 O TYR A 52 9.866 7.378 0.303 1.00 0.00 O ATOM 755 CB TYR A 52 11.054 5.415 -1.666 1.00 0.00 C ATOM 756 CG TYR A 52 11.650 5.891 -2.971 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.752 7.247 -3.257 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.111 4.986 -3.919 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.295 7.687 -4.449 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.656 5.417 -5.113 1.00 0.00 C ATOM 761 CZ TYR A 52 12.746 6.768 -5.373 1.00 0.00 C ATOM 762 OH TYR A 52 13.288 7.201 -6.562 1.00 0.00 O ATOM 0 H TYR A 52 10.740 4.671 0.834 1.00 0.00 H new ATOM 0 HA TYR A 52 12.764 6.229 -0.649 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.140 4.330 -1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.990 5.652 -1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.401 7.969 -2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.042 3.927 -3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.366 8.745 -4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.010 4.700 -5.839 1.00 0.00 H new ATOM 0 HH TYR A 52 13.557 6.427 -7.100 1.00 0.00 H new ATOM 772 N SER A 53 11.777 8.445 -0.219 1.00 0.00 N ATOM 773 CA SER A 53 11.249 9.769 0.084 1.00 0.00 C ATOM 774 C SER A 53 10.896 10.520 -1.197 1.00 0.00 C ATOM 775 O SER A 53 11.771 11.056 -1.878 1.00 0.00 O ATOM 776 CB SER A 53 12.267 10.574 0.895 1.00 0.00 C ATOM 777 OG SER A 53 13.444 10.814 0.143 1.00 0.00 O ATOM 0 H SER A 53 12.746 8.440 -0.538 1.00 0.00 H new ATOM 0 HA SER A 53 10.341 9.644 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.826 11.523 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.519 10.033 1.807 1.00 0.00 H new ATOM 0 HG SER A 53 13.208 10.954 -0.798 1.00 0.00 H new ATOM 783 N HIS A 54 9.607 10.553 -1.519 1.00 0.00 N ATOM 784 CA HIS A 54 9.135 11.238 -2.717 1.00 0.00 C ATOM 785 C HIS A 54 8.389 12.518 -2.354 1.00 0.00 C ATOM 786 O HIS A 54 7.460 12.499 -1.547 1.00 0.00 O ATOM 787 CB HIS A 54 8.227 10.317 -3.532 1.00 0.00 C ATOM 788 CG HIS A 54 7.964 10.812 -4.921 1.00 0.00 C ATOM 789 ND1 HIS A 54 6.958 11.705 -5.224 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.584 10.534 -6.092 1.00 0.00 C ATOM 791 CE1 HIS A 54 6.970 11.955 -6.522 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.947 11.256 -7.071 1.00 0.00 N ATOM 0 H HIS A 54 8.871 10.113 -0.967 1.00 0.00 H new ATOM 0 HA HIS A 54 10.004 11.505 -3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.682 9.328 -3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.277 10.202 -3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.423 9.868 -6.230 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.296 12.618 -7.044 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.189 11.253 -8.062 1.00 0.00 H new ATOM 801 N GLY A 55 8.802 13.630 -2.955 1.00 0.00 N ATOM 802 CA GLY A 55 8.161 14.903 -2.681 1.00 0.00 C ATOM 803 C GLY A 55 7.868 15.099 -1.206 1.00 0.00 C ATOM 804 O GLY A 55 8.719 14.839 -0.357 1.00 0.00 O ATOM 0 H GLY A 55 9.569 13.672 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.802 15.712 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.230 14.967 -3.245 1.00 0.00 H new ATOM 808 N ASN A 56 6.659 15.560 -0.902 1.00 0.00 N ATOM 809 CA ASN A 56 6.256 15.793 0.481 1.00 0.00 C ATOM 810 C ASN A 56 5.449 14.616 1.018 1.00 0.00 C ATOM 811 O ASN A 56 4.470 14.799 1.741 1.00 0.00 O ATOM 812 CB ASN A 56 5.434 17.079 0.584 1.00 0.00 C ATOM 813 CG ASN A 56 6.201 18.296 0.104 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.767 18.295 -0.989 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.223 19.342 0.922 1.00 0.00 N ATOM 0 H ASN A 56 5.942 15.779 -1.593 1.00 0.00 H new ATOM 0 HA ASN A 56 7.158 15.897 1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.522 16.972 -0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.129 17.230 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.723 20.189 0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.739 19.298 1.819 1.00 0.00 H new ATOM 822 N TYR A 57 5.867 13.407 0.660 1.00 0.00 N ATOM 823 CA TYR A 57 5.182 12.198 1.104 1.00 0.00 C ATOM 824 C TYR A 57 6.161 11.036 1.238 1.00 0.00 C ATOM 825 O TYR A 57 7.099 10.904 0.451 1.00 0.00 O ATOM 826 CB TYR A 57 4.066 11.830 0.124 1.00 0.00 C ATOM 827 CG TYR A 57 2.834 12.696 0.257 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.759 13.933 -0.371 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.745 12.277 1.012 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.636 14.728 -0.251 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.617 13.065 1.135 1.00 0.00 C ATOM 832 CZ TYR A 57 0.567 14.289 0.502 1.00 0.00 C ATOM 833 OH TYR A 57 -0.555 15.077 0.624 1.00 0.00 O ATOM 0 H TYR A 57 6.677 13.238 0.064 1.00 0.00 H new ATOM 0 HA TYR A 57 4.746 12.396 2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.447 11.909 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.786 10.788 0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.593 14.279 -0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.781 11.320 1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.595 15.688 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.222 12.724 1.724 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.215 14.621 1.187 1.00 0.00 H new ATOM 843 N LEU A 58 5.934 10.193 2.240 1.00 0.00 N ATOM 844 CA LEU A 58 6.795 9.039 2.478 1.00 0.00 C ATOM 845 C LEU A 58 6.260 7.804 1.761 1.00 0.00 C ATOM 846 O LEU A 58 5.076 7.482 1.856 1.00 0.00 O ATOM 847 CB LEU A 58 6.906 8.763 3.979 1.00 0.00 C ATOM 848 CG LEU A 58 7.548 9.869 4.818 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.360 9.589 6.302 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.026 10.005 4.482 1.00 0.00 C ATOM 0 H LEU A 58 5.162 10.287 2.900 1.00 0.00 H new ATOM 0 HA LEU A 58 7.785 9.266 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.906 8.573 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.481 7.848 4.119 1.00 0.00 H new ATOM 0 HG LEU A 58 7.055 10.812 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.823 10.386 6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.295 9.543 6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.827 8.637 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.466 10.797 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.535 9.064 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.138 10.252 3.426 1.00 0.00 H new ATOM 862 N PHE A 59 7.142 7.114 1.045 1.00 0.00 N ATOM 863 CA PHE A 59 6.759 5.913 0.312 1.00 0.00 C ATOM 864 C PHE A 59 7.383 4.671 0.941 1.00 0.00 C ATOM 865 O PHE A 59 8.558 4.373 0.723 1.00 0.00 O ATOM 866 CB PHE A 59 7.186 6.026 -1.153 1.00 0.00 C ATOM 867 CG PHE A 59 6.302 6.925 -1.968 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.003 8.206 -1.531 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.770 6.490 -3.171 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.188 9.035 -2.279 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.955 7.316 -3.924 1.00 0.00 C ATOM 872 CZ PHE A 59 4.665 8.590 -3.477 1.00 0.00 C ATOM 0 H PHE A 59 8.126 7.366 0.957 1.00 0.00 H new ATOM 0 HA PHE A 59 5.674 5.818 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.209 6.399 -1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.190 5.032 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.411 8.560 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.994 5.495 -3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.960 10.030 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.546 6.965 -4.860 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.030 9.237 -4.064 1.00 0.00 H new ATOM 882 N HIS A 60 6.587 3.948 1.724 1.00 0.00 N ATOM 883 CA HIS A 60 7.060 2.738 2.385 1.00 0.00 C ATOM 884 C HIS A 60 6.544 1.492 1.672 1.00 0.00 C ATOM 885 O HIS A 60 5.340 1.236 1.642 1.00 0.00 O ATOM 886 CB HIS A 60 6.615 2.723 3.848 1.00 0.00 C ATOM 887 CG HIS A 60 6.878 4.011 4.567 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.113 4.349 5.077 1.00 0.00 N ATOM 889 CD2 HIS A 60 6.056 5.046 4.858 1.00 0.00 C ATOM 890 CE1 HIS A 60 8.040 5.536 5.652 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.802 5.981 5.532 1.00 0.00 N ATOM 0 H HIS A 60 5.612 4.180 1.915 1.00 0.00 H new ATOM 0 HA HIS A 60 8.149 2.734 2.344 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.548 2.503 3.893 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.130 1.915 4.368 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.008 5.122 4.607 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.854 6.054 6.137 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.456 6.874 5.883 1.00 0.00 H new ATOM 900 N TYR A 61 7.461 0.721 1.099 1.00 0.00 N ATOM 901 CA TYR A 61 7.098 -0.496 0.383 1.00 0.00 C ATOM 902 C TYR A 61 7.751 -1.719 1.021 1.00 0.00 C ATOM 903 O TYR A 61 8.954 -1.727 1.285 1.00 0.00 O ATOM 904 CB TYR A 61 7.511 -0.391 -1.086 1.00 0.00 C ATOM 905 CG TYR A 61 8.938 -0.819 -1.346 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.307 -2.157 -1.276 1.00 0.00 C ATOM 907 CD2 TYR A 61 9.917 0.115 -1.661 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.609 -2.552 -1.512 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.222 -0.271 -1.900 1.00 0.00 C ATOM 910 CZ TYR A 61 11.563 -1.606 -1.824 1.00 0.00 C ATOM 911 OH TYR A 61 12.862 -1.995 -2.060 1.00 0.00 O ATOM 0 H TYR A 61 8.462 0.917 1.116 1.00 0.00 H new ATOM 0 HA TYR A 61 6.016 -0.613 0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.841 -1.005 -1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.383 0.639 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.563 -2.901 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.654 1.161 -1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.879 -3.596 -1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.971 0.468 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 61 13.407 -1.207 -2.267 1.00 0.00 H new ATOM 921 N ILE A 62 6.949 -2.750 1.265 1.00 0.00 N ATOM 922 CA ILE A 62 7.448 -3.978 1.870 1.00 0.00 C ATOM 923 C ILE A 62 7.334 -5.152 0.903 1.00 0.00 C ATOM 924 O ILE A 62 6.284 -5.373 0.299 1.00 0.00 O ATOM 925 CB ILE A 62 6.687 -4.318 3.165 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.843 -3.189 4.185 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.186 -5.634 3.743 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.778 -3.193 5.259 1.00 0.00 C ATOM 0 H ILE A 62 5.951 -2.759 1.053 1.00 0.00 H new ATOM 0 HA ILE A 62 8.498 -3.808 2.110 1.00 0.00 H new ATOM 0 HB ILE A 62 5.628 -4.426 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.823 -3.269 4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.817 -2.233 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.638 -5.860 4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.028 -6.433 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.250 -5.553 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.952 -2.365 5.947 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.796 -3.082 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.817 -4.134 5.807 1.00 0.00 H new ATOM 940 N CYS A 63 8.421 -5.904 0.764 1.00 0.00 N ATOM 941 CA CYS A 63 8.443 -7.057 -0.129 1.00 0.00 C ATOM 942 C CYS A 63 8.193 -8.348 0.645 1.00 0.00 C ATOM 943 O CYS A 63 8.816 -8.594 1.677 1.00 0.00 O ATOM 944 CB CYS A 63 9.784 -7.138 -0.859 1.00 0.00 C ATOM 945 SG CYS A 63 9.888 -8.479 -2.067 1.00 0.00 S ATOM 0 H CYS A 63 9.297 -5.736 1.258 1.00 0.00 H new ATOM 0 HA CYS A 63 7.646 -6.933 -0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.967 -6.191 -1.367 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.579 -7.264 -0.124 1.00 0.00 H new ATOM 0 HG CYS A 63 10.320 -8.010 -3.200 1.00 0.00 H new ATOM 951 N GLN A 64 7.277 -9.167 0.139 1.00 0.00 N ATOM 952 CA GLN A 64 6.943 -10.431 0.784 1.00 0.00 C ATOM 953 C GLN A 64 6.177 -11.343 -0.169 1.00 0.00 C ATOM 954 O GLN A 64 5.245 -10.907 -0.846 1.00 0.00 O ATOM 955 CB GLN A 64 6.115 -10.181 2.046 1.00 0.00 C ATOM 956 CG GLN A 64 5.901 -11.427 2.890 1.00 0.00 C ATOM 957 CD GLN A 64 7.163 -11.873 3.602 1.00 0.00 C ATOM 958 OE1 GLN A 64 7.686 -12.957 3.343 1.00 0.00 O ATOM 959 NE2 GLN A 64 7.659 -11.038 4.507 1.00 0.00 N ATOM 0 H GLN A 64 6.753 -8.978 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 64 7.874 -10.926 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.611 -9.423 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.145 -9.775 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.122 -11.233 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.543 -12.236 2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.193 -10.149 4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.506 -11.285 5.019 1.00 0.00 H new ATOM 968 N ASP A 65 6.575 -12.609 -0.216 1.00 0.00 N ATOM 969 CA ASP A 65 5.926 -13.583 -1.086 1.00 0.00 C ATOM 970 C ASP A 65 5.832 -13.058 -2.515 1.00 0.00 C ATOM 971 O ASP A 65 4.875 -13.351 -3.233 1.00 0.00 O ATOM 972 CB ASP A 65 4.529 -13.917 -0.559 1.00 0.00 C ATOM 973 CG ASP A 65 4.088 -15.318 -0.935 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.399 -15.756 -2.063 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.434 -15.978 -0.100 1.00 0.00 O ATOM 0 H ASP A 65 7.344 -12.985 0.338 1.00 0.00 H new ATOM 0 HA ASP A 65 6.531 -14.490 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.519 -13.815 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.813 -13.196 -0.953 1.00 0.00 H new ATOM 980 N ARG A 66 6.830 -12.281 -2.921 1.00 0.00 N ATOM 981 CA ARG A 66 6.859 -11.713 -4.264 1.00 0.00 C ATOM 982 C ARG A 66 5.744 -10.687 -4.444 1.00 0.00 C ATOM 983 O ARG A 66 5.274 -10.457 -5.559 1.00 0.00 O ATOM 984 CB ARG A 66 6.723 -12.820 -5.311 1.00 0.00 C ATOM 985 CG ARG A 66 7.710 -13.960 -5.125 1.00 0.00 C ATOM 986 CD ARG A 66 9.142 -13.498 -5.340 1.00 0.00 C ATOM 987 NE ARG A 66 9.993 -14.571 -5.847 1.00 0.00 N ATOM 988 CZ ARG A 66 11.321 -14.528 -5.826 1.00 0.00 C ATOM 989 NH1 ARG A 66 11.946 -13.472 -5.325 1.00 0.00 N ATOM 990 NH2 ARG A 66 12.026 -15.544 -6.307 1.00 0.00 N ATOM 0 H ARG A 66 7.630 -12.030 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 66 7.817 -11.210 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.709 -13.219 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.861 -12.389 -6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.606 -14.372 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.477 -14.763 -5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.152 -12.665 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.548 -13.127 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 66 9.544 -15.399 -6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.408 -12.689 -4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.965 -13.442 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.549 -16.359 -6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.045 -15.510 -6.291 1.00 0.00 H new ATOM 1004 N ILE A 67 5.326 -10.075 -3.341 1.00 0.00 N ATOM 1005 CA ILE A 67 4.268 -9.074 -3.378 1.00 0.00 C ATOM 1006 C ILE A 67 4.747 -7.746 -2.802 1.00 0.00 C ATOM 1007 O ILE A 67 5.282 -7.694 -1.694 1.00 0.00 O ATOM 1008 CB ILE A 67 3.024 -9.540 -2.598 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.706 -11.000 -2.928 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.834 -8.648 -2.916 1.00 0.00 C ATOM 1011 CD1 ILE A 67 1.909 -11.171 -4.202 1.00 0.00 C ATOM 0 H ILE A 67 5.704 -10.255 -2.411 1.00 0.00 H new ATOM 0 HA ILE A 67 4.000 -8.937 -4.426 1.00 0.00 H new ATOM 0 HB ILE A 67 3.233 -9.465 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.639 -11.556 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.150 -11.439 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.963 -8.990 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.064 -7.620 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.621 -8.693 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.720 -12.231 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.960 -10.643 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.472 -10.762 -5.041 1.00 0.00 H new ATOM 1023 N VAL A 68 4.550 -6.672 -3.561 1.00 0.00 N ATOM 1024 CA VAL A 68 4.959 -5.342 -3.125 1.00 0.00 C ATOM 1025 C VAL A 68 3.766 -4.537 -2.623 1.00 0.00 C ATOM 1026 O VAL A 68 2.729 -4.466 -3.284 1.00 0.00 O ATOM 1027 CB VAL A 68 5.646 -4.565 -4.264 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.095 -3.195 -3.780 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.823 -5.357 -4.814 1.00 0.00 C ATOM 0 H VAL A 68 4.110 -6.697 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 68 5.669 -5.481 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 68 4.926 -4.421 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.578 -2.660 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.229 -2.628 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.800 -3.313 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.297 -4.794 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.547 -5.533 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.470 -6.313 -5.200 1.00 0.00 H new ATOM 1039 N TYR A 69 3.919 -3.932 -1.451 1.00 0.00 N ATOM 1040 CA TYR A 69 2.853 -3.132 -0.859 1.00 0.00 C ATOM 1041 C TYR A 69 3.311 -1.694 -0.635 1.00 0.00 C ATOM 1042 O TYR A 69 3.955 -1.384 0.368 1.00 0.00 O ATOM 1043 CB TYR A 69 2.402 -3.748 0.467 1.00 0.00 C ATOM 1044 CG TYR A 69 2.097 -5.226 0.376 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.115 -6.156 0.203 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.792 -5.693 0.461 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.842 -7.507 0.118 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.509 -7.043 0.379 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.537 -7.946 0.207 1.00 0.00 C ATOM 1050 OH TYR A 69 1.260 -9.291 0.123 1.00 0.00 O ATOM 0 H TYR A 69 4.771 -3.980 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 69 2.012 -3.122 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.180 -3.592 1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.513 -3.223 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.138 -5.816 0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.016 -4.989 0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.645 -8.216 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.512 -7.389 0.449 1.00 0.00 H new ATOM 0 HH TYR A 69 0.294 -9.432 0.205 1.00 0.00 H new ATOM 1060 N LEU A 70 2.972 -0.820 -1.576 1.00 0.00 N ATOM 1061 CA LEU A 70 3.347 0.587 -1.483 1.00 0.00 C ATOM 1062 C LEU A 70 2.215 1.413 -0.880 1.00 0.00 C ATOM 1063 O LEU A 70 1.038 1.110 -1.078 1.00 0.00 O ATOM 1064 CB LEU A 70 3.709 1.131 -2.866 1.00 0.00 C ATOM 1065 CG LEU A 70 4.350 2.519 -2.894 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.283 2.652 -4.088 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.280 3.600 -2.928 1.00 0.00 C ATOM 0 H LEU A 70 2.439 -1.060 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 70 4.216 0.664 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.391 0.428 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.803 1.159 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 70 4.937 2.646 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.730 3.646 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.070 1.901 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.719 2.505 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.754 4.581 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.666 3.476 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.652 3.518 -2.041 1.00 0.00 H new ATOM 1079 N CYS A 71 2.580 2.458 -0.145 1.00 0.00 N ATOM 1080 CA CYS A 71 1.595 3.330 0.486 1.00 0.00 C ATOM 1081 C CYS A 71 2.125 4.755 0.602 1.00 0.00 C ATOM 1082 O CYS A 71 3.313 4.968 0.847 1.00 0.00 O ATOM 1083 CB CYS A 71 1.225 2.797 1.871 1.00 0.00 C ATOM 1084 SG CYS A 71 2.573 2.866 3.073 1.00 0.00 S ATOM 0 H CYS A 71 3.550 2.722 0.029 1.00 0.00 H new ATOM 0 HA CYS A 71 0.704 3.343 -0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.381 3.369 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.892 1.764 1.774 1.00 0.00 H new ATOM 0 HG CYS A 71 3.442 3.758 2.700 1.00 0.00 H new ATOM 1090 N ILE A 72 1.237 5.727 0.423 1.00 0.00 N ATOM 1091 CA ILE A 72 1.617 7.132 0.506 1.00 0.00 C ATOM 1092 C ILE A 72 1.132 7.756 1.811 1.00 0.00 C ATOM 1093 O ILE A 72 -0.046 7.661 2.158 1.00 0.00 O ATOM 1094 CB ILE A 72 1.050 7.940 -0.677 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.557 7.368 -2.002 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.431 9.407 -0.547 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.614 7.602 -3.161 1.00 0.00 C ATOM 0 H ILE A 72 0.250 5.568 0.220 1.00 0.00 H new ATOM 0 HA ILE A 72 2.706 7.167 0.471 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.037 7.864 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.524 7.814 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.720 6.296 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.023 9.965 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.026 9.807 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.517 9.502 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.038 7.170 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.346 7.132 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.470 8.673 -3.302 1.00 0.00 H new ATOM 1109 N THR A 73 2.048 8.396 2.531 1.00 0.00 N ATOM 1110 CA THR A 73 1.715 9.036 3.797 1.00 0.00 C ATOM 1111 C THR A 73 2.450 10.362 3.953 1.00 0.00 C ATOM 1112 O THR A 73 3.437 10.621 3.264 1.00 0.00 O ATOM 1113 CB THR A 73 2.059 8.128 4.993 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.475 7.929 5.066 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.359 6.783 4.871 1.00 0.00 C ATOM 0 H THR A 73 3.027 8.485 2.258 1.00 0.00 H new ATOM 0 HA THR A 73 0.640 9.218 3.786 1.00 0.00 H new ATOM 0 HB THR A 73 1.714 8.618 5.903 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.685 7.352 5.830 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.617 6.159 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.280 6.935 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.677 6.289 3.953 1.00 0.00 H new ATOM 1123 N ASP A 74 1.963 11.200 4.862 1.00 0.00 N ATOM 1124 CA ASP A 74 2.576 12.500 5.109 1.00 0.00 C ATOM 1125 C ASP A 74 3.790 12.364 6.022 1.00 0.00 C ATOM 1126 O ASP A 74 3.743 11.664 7.034 1.00 0.00 O ATOM 1127 CB ASP A 74 1.558 13.456 5.733 1.00 0.00 C ATOM 1128 CG ASP A 74 0.708 12.786 6.795 1.00 0.00 C ATOM 1129 OD1 ASP A 74 0.004 11.811 6.461 1.00 0.00 O ATOM 1130 OD2 ASP A 74 0.747 13.237 7.959 1.00 0.00 O ATOM 0 H ASP A 74 1.146 11.002 5.440 1.00 0.00 H new ATOM 0 HA ASP A 74 2.907 12.906 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.083 14.304 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.911 13.853 4.951 1.00 0.00 H new ATOM 1135 N ASP A 75 4.876 13.036 5.657 1.00 0.00 N ATOM 1136 CA ASP A 75 6.104 12.990 6.443 1.00 0.00 C ATOM 1137 C ASP A 75 5.792 12.906 7.934 1.00 0.00 C ATOM 1138 O ASP A 75 6.239 11.987 8.621 1.00 0.00 O ATOM 1139 CB ASP A 75 6.964 14.223 6.158 1.00 0.00 C ATOM 1140 CG ASP A 75 8.409 14.029 6.572 1.00 0.00 C ATOM 1141 OD1 ASP A 75 8.740 14.343 7.734 1.00 0.00 O ATOM 1142 OD2 ASP A 75 9.209 13.563 5.733 1.00 0.00 O ATOM 0 H ASP A 75 4.931 13.619 4.822 1.00 0.00 H new ATOM 0 HA ASP A 75 6.657 12.096 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.922 14.454 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.550 15.081 6.687 1.00 0.00 H new ATOM 1147 N ASP A 76 5.023 13.870 8.427 1.00 0.00 N ATOM 1148 CA ASP A 76 4.651 13.906 9.837 1.00 0.00 C ATOM 1149 C ASP A 76 4.464 12.494 10.385 1.00 0.00 C ATOM 1150 O ASP A 76 4.997 12.152 11.441 1.00 0.00 O ATOM 1151 CB ASP A 76 3.367 14.715 10.028 1.00 0.00 C ATOM 1152 CG ASP A 76 2.665 14.388 11.331 1.00 0.00 C ATOM 1153 OD1 ASP A 76 3.345 14.349 12.378 1.00 0.00 O ATOM 1154 OD2 ASP A 76 1.436 14.172 11.304 1.00 0.00 O ATOM 0 H ASP A 76 4.645 14.637 7.871 1.00 0.00 H new ATOM 0 HA ASP A 76 5.459 14.387 10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.604 15.779 10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.691 14.520 9.196 1.00 0.00 H new ATOM 1159 N PHE A 77 3.703 11.680 9.662 1.00 0.00 N ATOM 1160 CA PHE A 77 3.444 10.306 10.076 1.00 0.00 C ATOM 1161 C PHE A 77 4.712 9.653 10.618 1.00 0.00 C ATOM 1162 O PHE A 77 5.824 10.053 10.273 1.00 0.00 O ATOM 1163 CB PHE A 77 2.898 9.491 8.902 1.00 0.00 C ATOM 1164 CG PHE A 77 1.990 8.370 9.321 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.831 8.630 10.034 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.297 7.057 9.002 1.00 0.00 C ATOM 1167 CE1 PHE A 77 -0.007 7.601 10.421 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.463 6.024 9.386 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.310 6.296 10.097 1.00 0.00 C ATOM 0 H PHE A 77 3.254 11.948 8.786 1.00 0.00 H new ATOM 0 HA PHE A 77 2.699 10.327 10.871 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.355 10.156 8.230 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.734 9.079 8.336 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.579 9.648 10.290 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.198 6.839 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.908 7.817 10.976 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.712 5.005 9.130 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.342 5.490 10.399 1.00 0.00 H new ATOM 1179 N GLU A 78 4.535 8.647 11.468 1.00 0.00 N ATOM 1180 CA GLU A 78 5.666 7.939 12.059 1.00 0.00 C ATOM 1181 C GLU A 78 6.030 6.710 11.231 1.00 0.00 C ATOM 1182 O GLU A 78 5.197 5.833 11.002 1.00 0.00 O ATOM 1183 CB GLU A 78 5.341 7.523 13.495 1.00 0.00 C ATOM 1184 CG GLU A 78 6.488 6.815 14.197 1.00 0.00 C ATOM 1185 CD GLU A 78 7.415 7.776 14.915 1.00 0.00 C ATOM 1186 OE1 GLU A 78 6.923 8.805 15.424 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.632 7.501 14.967 1.00 0.00 O ATOM 0 H GLU A 78 3.621 8.304 11.763 1.00 0.00 H new ATOM 0 HA GLU A 78 6.521 8.615 12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.067 8.409 14.068 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.471 6.867 13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.084 6.101 14.915 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.059 6.243 13.466 1.00 0.00 H new ATOM 1194 N ARG A 79 7.281 6.654 10.785 1.00 0.00 N ATOM 1195 CA ARG A 79 7.756 5.534 9.982 1.00 0.00 C ATOM 1196 C ARG A 79 7.151 4.221 10.468 1.00 0.00 C ATOM 1197 O ARG A 79 6.448 3.537 9.724 1.00 0.00 O ATOM 1198 CB ARG A 79 9.283 5.454 10.033 1.00 0.00 C ATOM 1199 CG ARG A 79 9.977 6.589 9.298 1.00 0.00 C ATOM 1200 CD ARG A 79 11.486 6.397 9.275 1.00 0.00 C ATOM 1201 NE ARG A 79 12.199 7.671 9.212 1.00 0.00 N ATOM 1202 CZ ARG A 79 12.405 8.450 10.268 1.00 0.00 C ATOM 1203 NH1 ARG A 79 11.956 8.087 11.462 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.063 9.594 10.131 1.00 0.00 N ATOM 0 H ARG A 79 7.983 7.371 10.966 1.00 0.00 H new ATOM 0 HA ARG A 79 7.442 5.699 8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.604 5.457 11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.603 4.505 9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.601 6.646 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.737 7.537 9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.796 5.852 10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.761 5.785 8.416 1.00 0.00 H new ATOM 0 HE ARG A 79 12.558 7.979 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.451 7.208 11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.116 8.687 12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.411 9.876 9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.221 10.192 10.942 1.00 0.00 H new ATOM 1218 N SER A 80 7.428 3.875 11.721 1.00 0.00 N ATOM 1219 CA SER A 80 6.915 2.641 12.305 1.00 0.00 C ATOM 1220 C SER A 80 5.448 2.437 11.940 1.00 0.00 C ATOM 1221 O SER A 80 5.087 1.447 11.304 1.00 0.00 O ATOM 1222 CB SER A 80 7.075 2.667 13.826 1.00 0.00 C ATOM 1223 OG SER A 80 6.916 1.372 14.378 1.00 0.00 O ATOM 0 H SER A 80 8.005 4.432 12.351 1.00 0.00 H new ATOM 0 HA SER A 80 7.491 1.809 11.900 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.059 3.058 14.085 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.339 3.344 14.261 1.00 0.00 H new ATOM 0 HG SER A 80 7.024 1.416 15.351 1.00 0.00 H new ATOM 1229 N ARG A 81 4.606 3.381 12.348 1.00 0.00 N ATOM 1230 CA ARG A 81 3.178 3.306 12.066 1.00 0.00 C ATOM 1231 C ARG A 81 2.930 2.848 10.632 1.00 0.00 C ATOM 1232 O ARG A 81 2.127 1.949 10.386 1.00 0.00 O ATOM 1233 CB ARG A 81 2.517 4.665 12.300 1.00 0.00 C ATOM 1234 CG ARG A 81 2.656 5.173 13.726 1.00 0.00 C ATOM 1235 CD ARG A 81 1.821 4.349 14.694 1.00 0.00 C ATOM 1236 NE ARG A 81 1.554 5.069 15.936 1.00 0.00 N ATOM 1237 CZ ARG A 81 0.664 6.050 16.041 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.040 6.426 14.982 1.00 0.00 N ATOM 1239 NH2 ARG A 81 0.478 6.657 17.205 1.00 0.00 N ATOM 0 H ARG A 81 4.889 4.207 12.875 1.00 0.00 H new ATOM 0 HA ARG A 81 2.738 2.575 12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.955 5.395 11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.458 4.592 12.051 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.703 5.138 14.026 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.346 6.217 13.774 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.877 4.080 14.220 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.341 3.418 14.919 1.00 0.00 H new ATOM 0 HE ARG A 81 2.080 4.804 16.769 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.101 5.962 14.085 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.723 7.179 15.065 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.019 6.371 18.021 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.206 7.410 17.284 1.00 0.00 H new ATOM 1253 N ALA A 82 3.626 3.474 9.688 1.00 0.00 N ATOM 1254 CA ALA A 82 3.484 3.130 8.279 1.00 0.00 C ATOM 1255 C ALA A 82 3.735 1.644 8.048 1.00 0.00 C ATOM 1256 O ALA A 82 2.907 0.948 7.460 1.00 0.00 O ATOM 1257 CB ALA A 82 4.433 3.966 7.433 1.00 0.00 C ATOM 0 H ALA A 82 4.294 4.222 9.874 1.00 0.00 H new ATOM 0 HA ALA A 82 2.459 3.349 7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.316 3.698 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.203 5.023 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.460 3.776 7.744 1.00 0.00 H new ATOM 1263 N PHE A 83 4.883 1.164 8.514 1.00 0.00 N ATOM 1264 CA PHE A 83 5.245 -0.240 8.356 1.00 0.00 C ATOM 1265 C PHE A 83 4.233 -1.144 9.055 1.00 0.00 C ATOM 1266 O PHE A 83 3.931 -2.238 8.580 1.00 0.00 O ATOM 1267 CB PHE A 83 6.645 -0.495 8.918 1.00 0.00 C ATOM 1268 CG PHE A 83 7.748 -0.023 8.014 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.800 -0.431 6.691 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.733 0.829 8.487 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.814 0.001 5.858 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.750 1.265 7.658 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.790 0.851 6.342 1.00 0.00 C ATOM 0 H PHE A 83 5.579 1.726 9.004 1.00 0.00 H new ATOM 0 HA PHE A 83 5.241 -0.472 7.291 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.737 0.005 9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.766 -1.563 9.099 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.039 -1.094 6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.706 1.157 9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.844 -0.326 4.829 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.512 1.928 8.040 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.583 1.191 5.692 1.00 0.00 H new ATOM 1283 N ASN A 84 3.713 -0.677 10.185 1.00 0.00 N ATOM 1284 CA ASN A 84 2.736 -1.443 10.950 1.00 0.00 C ATOM 1285 C ASN A 84 1.517 -1.778 10.096 1.00 0.00 C ATOM 1286 O ASN A 84 1.237 -2.946 9.825 1.00 0.00 O ATOM 1287 CB ASN A 84 2.302 -0.661 12.192 1.00 0.00 C ATOM 1288 CG ASN A 84 3.338 -0.713 13.299 1.00 0.00 C ATOM 1289 OD1 ASN A 84 2.939 -1.225 14.457 1.00 0.00 O flip ATOM 1290 ND2 ASN A 84 4.482 -0.299 13.113 1.00 0.00 N flip ATOM 0 H ASN A 84 3.952 0.228 10.591 1.00 0.00 H new ATOM 0 HA ASN A 84 3.207 -2.375 11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.119 0.378 11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.359 -1.065 12.561 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.744 0.086 12.206 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.168 -0.341 13.866 1.00 0.00 H new ATOM 1297 N PHE A 85 0.796 -0.745 9.673 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.393 -0.929 8.849 1.00 0.00 C ATOM 1299 C PHE A 85 -0.093 -1.830 7.655 1.00 0.00 C ATOM 1300 O PHE A 85 -0.806 -2.803 7.402 1.00 0.00 O ATOM 1301 CB PHE A 85 -0.917 0.424 8.363 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.803 0.325 7.154 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.155 0.051 7.290 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.285 0.505 5.882 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -3.972 -0.041 6.179 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.097 0.414 4.767 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.443 0.141 4.917 1.00 0.00 C ATOM 0 H PHE A 85 1.014 0.228 9.887 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.158 -1.408 9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.471 0.902 9.171 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.071 1.070 8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.575 -0.092 8.275 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.234 0.719 5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.024 -0.255 6.298 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.680 0.556 3.781 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.080 0.070 4.048 1.00 0.00 H new ATOM 1317 N LEU A 86 0.965 -1.499 6.923 1.00 0.00 N ATOM 1318 CA LEU A 86 1.360 -2.277 5.754 1.00 0.00 C ATOM 1319 C LEU A 86 1.498 -3.755 6.105 1.00 0.00 C ATOM 1320 O LEU A 86 1.030 -4.624 5.371 1.00 0.00 O ATOM 1321 CB LEU A 86 2.680 -1.750 5.188 1.00 0.00 C ATOM 1322 CG LEU A 86 2.605 -0.420 4.438 1.00 0.00 C ATOM 1323 CD1 LEU A 86 4.000 0.080 4.098 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.767 -0.567 3.176 1.00 0.00 C ATOM 0 H LEU A 86 1.565 -0.697 7.118 1.00 0.00 H new ATOM 0 HA LEU A 86 0.581 -2.173 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.387 -1.641 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.089 -2.502 4.513 1.00 0.00 H new ATOM 0 HG LEU A 86 2.126 0.314 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.927 1.028 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.569 0.224 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.506 -0.652 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.724 0.389 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.218 -1.316 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.758 -0.880 3.444 1.00 0.00 H new ATOM 1336 N ASN A 87 2.143 -4.032 7.234 1.00 0.00 N ATOM 1337 CA ASN A 87 2.341 -5.405 7.683 1.00 0.00 C ATOM 1338 C ASN A 87 1.005 -6.078 7.983 1.00 0.00 C ATOM 1339 O ASN A 87 0.812 -7.256 7.684 1.00 0.00 O ATOM 1340 CB ASN A 87 3.230 -5.433 8.929 1.00 0.00 C ATOM 1341 CG ASN A 87 4.703 -5.310 8.591 1.00 0.00 C ATOM 1342 OD1 ASN A 87 5.071 -5.110 7.433 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.554 -5.428 9.604 1.00 0.00 N ATOM 0 H ASN A 87 2.537 -3.324 7.854 1.00 0.00 H new ATOM 0 HA ASN A 87 2.833 -5.956 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.944 -4.619 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.061 -6.363 9.472 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.558 -5.353 9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.204 -5.593 10.548 1.00 0.00 H new ATOM 1350 N GLU A 88 0.087 -5.320 8.575 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.231 -5.844 8.915 1.00 0.00 C ATOM 1352 C GLU A 88 -1.933 -6.395 7.677 1.00 0.00 C ATOM 1353 O GLU A 88 -2.202 -7.594 7.585 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.088 -4.751 9.557 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.823 -4.563 11.041 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.713 -3.505 11.663 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.487 -2.307 11.396 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -3.637 -3.876 12.417 1.00 0.00 O ATOM 0 H GLU A 88 0.231 -4.343 8.829 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.098 -6.657 9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.905 -3.808 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.141 -4.995 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.977 -5.511 11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.779 -4.286 11.188 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.228 -5.512 6.729 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.898 -5.910 5.497 1.00 0.00 C ATOM 1367 C ILE A 89 -2.012 -6.828 4.661 1.00 0.00 C ATOM 1368 O ILE A 89 -2.490 -7.789 4.057 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.293 -4.686 4.651 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.089 -3.763 4.456 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.441 -3.935 5.309 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.353 -2.618 3.503 1.00 0.00 C ATOM 0 H ILE A 89 -2.014 -4.517 6.790 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.801 -6.447 5.788 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.624 -5.032 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.791 -3.359 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.249 -4.349 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.709 -3.072 4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.303 -4.596 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.135 -3.598 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.456 -2.005 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.621 -3.014 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.172 -2.008 3.885 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.719 -6.526 4.631 1.00 0.00 N ATOM 1385 CA LYS A 90 0.236 -7.325 3.872 1.00 0.00 C ATOM 1386 C LYS A 90 0.105 -8.804 4.218 1.00 0.00 C ATOM 1387 O LYS A 90 0.047 -9.657 3.332 1.00 0.00 O ATOM 1388 CB LYS A 90 1.664 -6.850 4.150 1.00 0.00 C ATOM 1389 CG LYS A 90 2.731 -7.822 3.677 1.00 0.00 C ATOM 1390 CD LYS A 90 4.083 -7.512 4.300 1.00 0.00 C ATOM 1391 CE LYS A 90 4.237 -8.179 5.658 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.012 -9.649 5.583 1.00 0.00 N ATOM 0 H LYS A 90 -0.308 -5.733 5.124 1.00 0.00 H new ATOM 0 HA LYS A 90 0.017 -7.197 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.819 -5.888 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.782 -6.687 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.436 -8.840 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.811 -7.776 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.877 -7.851 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.196 -6.433 4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.236 -7.984 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.530 -7.739 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.712 -10.138 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.054 -9.871 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.113 -9.966 4.598 1.00 0.00 H new ATOM 1406 N LYS A 91 0.057 -9.103 5.512 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.071 -10.479 5.976 1.00 0.00 C ATOM 1408 C LYS A 91 -1.464 -11.026 5.680 1.00 0.00 C ATOM 1409 O LYS A 91 -1.616 -12.184 5.292 1.00 0.00 O ATOM 1410 CB LYS A 91 0.212 -10.561 7.478 1.00 0.00 C ATOM 1411 CG LYS A 91 1.675 -10.801 7.809 1.00 0.00 C ATOM 1412 CD LYS A 91 1.833 -11.564 9.113 1.00 0.00 C ATOM 1413 CE LYS A 91 3.299 -11.790 9.453 1.00 0.00 C ATOM 1414 NZ LYS A 91 3.489 -12.980 10.328 1.00 0.00 N ATOM 0 H LYS A 91 0.105 -8.410 6.259 1.00 0.00 H new ATOM 0 HA LYS A 91 0.660 -11.086 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.112 -9.634 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.386 -11.364 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.145 -11.360 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.195 -9.845 7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.352 -11.011 9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.324 -12.525 9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.869 -11.921 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.697 -10.906 9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.501 -13.100 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.966 -12.845 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.133 -13.828 9.843 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.477 -10.185 5.865 1.00 0.00 N ATOM 1429 CA ARG A 92 -3.856 -10.585 5.617 1.00 0.00 C ATOM 1430 C ARG A 92 -4.047 -11.009 4.163 1.00 0.00 C ATOM 1431 O ARG A 92 -4.762 -11.969 3.875 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.811 -9.438 5.953 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.238 -9.409 7.412 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.624 -8.805 7.574 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.292 -9.284 8.781 1.00 0.00 N ATOM 1436 CZ ARG A 92 -7.041 -8.810 9.997 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -6.144 -7.849 10.165 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -7.690 -9.297 11.047 1.00 0.00 N ATOM 0 H ARG A 92 -2.368 -9.223 6.186 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.081 -11.437 6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.330 -8.492 5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.698 -9.519 5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.232 -10.422 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.518 -8.831 7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.544 -7.719 7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.231 -9.050 6.702 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.989 -10.022 8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.644 -7.471 9.360 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.953 -7.487 11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.382 -10.036 10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.497 -8.933 11.980 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.402 -10.288 3.252 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.502 -10.589 1.829 1.00 0.00 C ATOM 1454 C PHE A 93 -2.768 -11.884 1.494 1.00 0.00 C ATOM 1455 O PHE A 93 -3.371 -12.844 1.014 1.00 0.00 O ATOM 1456 CB PHE A 93 -2.928 -9.436 1.002 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.124 -9.606 -0.478 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -2.232 -10.357 -1.226 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -4.199 -9.014 -1.120 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -2.409 -10.514 -2.588 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -4.381 -9.167 -2.482 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.486 -9.919 -3.216 1.00 0.00 C ATOM 0 H PHE A 93 -2.805 -9.491 3.474 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.556 -10.716 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.396 -8.504 1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.862 -9.344 1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.389 -10.825 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.903 -8.426 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.706 -11.101 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.222 -8.699 -2.971 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.628 -10.042 -4.280 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.464 -11.902 1.751 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.648 -13.079 1.476 1.00 0.00 C ATOM 1474 C GLN A 94 -1.202 -14.305 2.194 1.00 0.00 C ATOM 1475 O GLN A 94 -0.961 -15.441 1.782 1.00 0.00 O ATOM 1476 CB GLN A 94 0.800 -12.833 1.904 1.00 0.00 C ATOM 1477 CG GLN A 94 0.953 -12.533 3.386 1.00 0.00 C ATOM 1478 CD GLN A 94 2.267 -11.849 3.710 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.753 -11.017 2.944 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.850 -12.198 4.851 1.00 0.00 N ATOM 0 H GLN A 94 -0.950 -11.116 2.149 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.675 -13.266 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.398 -13.710 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.203 -11.999 1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.128 -11.900 3.712 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.883 -13.463 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.412 -12.892 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.736 -11.772 5.122 1.00 0.00 H new ATOM 1489 N THR A 95 -1.945 -14.070 3.271 1.00 0.00 N ATOM 1490 CA THR A 95 -2.532 -15.155 4.047 1.00 0.00 C ATOM 1491 C THR A 95 -3.949 -15.463 3.577 1.00 0.00 C ATOM 1492 O THR A 95 -4.401 -16.607 3.642 1.00 0.00 O ATOM 1493 CB THR A 95 -2.563 -14.817 5.549 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.229 -14.648 6.042 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.265 -15.914 6.336 1.00 0.00 C ATOM 0 H THR A 95 -2.155 -13.137 3.626 1.00 0.00 H new ATOM 0 HA THR A 95 -1.903 -16.032 3.892 1.00 0.00 H new ATOM 0 HB THR A 95 -3.117 -13.887 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.953 -13.715 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.275 -15.653 7.394 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.289 -16.019 5.979 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.734 -16.856 6.199 1.00 0.00 H new ATOM 1503 N THR A 96 -4.647 -14.436 3.103 1.00 0.00 N ATOM 1504 CA THR A 96 -6.013 -14.598 2.622 1.00 0.00 C ATOM 1505 C THR A 96 -6.042 -14.837 1.117 1.00 0.00 C ATOM 1506 O THR A 96 -6.408 -15.919 0.657 1.00 0.00 O ATOM 1507 CB THR A 96 -6.874 -13.363 2.951 1.00 0.00 C ATOM 1508 OG1 THR A 96 -6.942 -13.177 4.369 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.278 -13.517 2.386 1.00 0.00 C ATOM 0 H THR A 96 -4.289 -13.483 3.042 1.00 0.00 H new ATOM 0 HA THR A 96 -6.427 -15.468 3.133 1.00 0.00 H new ATOM 0 HB THR A 96 -6.409 -12.490 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.203 -12.602 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.868 -12.633 2.631 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.224 -13.629 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.750 -14.399 2.819 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.653 -13.822 0.354 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.636 -13.922 -1.101 1.00 0.00 C ATOM 1519 C TYR A 97 -4.205 -13.966 -1.627 1.00 0.00 C ATOM 1520 O TYR A 97 -3.909 -13.438 -2.698 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.384 -12.741 -1.723 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.646 -12.365 -0.980 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.659 -13.293 -0.776 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.825 -11.080 -0.482 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.814 -12.953 -0.098 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.976 -10.731 0.198 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.967 -11.671 0.387 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.116 -11.329 1.064 1.00 0.00 O ATOM 0 H TYR A 97 -5.345 -12.920 0.718 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.136 -14.849 -1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.720 -11.877 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.639 -12.985 -2.754 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.542 -14.298 -1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.051 -10.341 -0.629 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.592 -13.687 0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.099 -9.728 0.579 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.066 -10.390 1.340 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.320 -14.601 -0.865 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.930 -14.704 -1.269 1.00 0.00 C ATOM 1540 C GLY A 98 -1.714 -15.757 -2.337 1.00 0.00 C ATOM 1541 O GLY A 98 -1.332 -15.440 -3.464 1.00 0.00 O ATOM 0 H GLY A 98 -3.541 -15.046 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.591 -13.738 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.319 -14.943 -0.399 1.00 0.00 H new ATOM 1545 N SER A 99 -1.957 -17.015 -1.983 1.00 0.00 N ATOM 1546 CA SER A 99 -1.781 -18.120 -2.919 1.00 0.00 C ATOM 1547 C SER A 99 -2.449 -17.812 -4.256 1.00 0.00 C ATOM 1548 O SER A 99 -1.839 -17.960 -5.315 1.00 0.00 O ATOM 1549 CB SER A 99 -2.360 -19.409 -2.332 1.00 0.00 C ATOM 1550 OG SER A 99 -1.476 -19.979 -1.383 1.00 0.00 O ATOM 0 H SER A 99 -2.276 -17.295 -1.055 1.00 0.00 H new ATOM 0 HA SER A 99 -0.713 -18.253 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.319 -19.198 -1.859 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.549 -20.124 -3.133 1.00 0.00 H new ATOM 0 HG SER A 99 -1.870 -20.800 -1.021 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.705 -17.382 -4.197 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.457 -17.054 -5.403 1.00 0.00 C ATOM 1558 C ARG A 100 -3.772 -15.935 -6.183 1.00 0.00 C ATOM 1559 O ARG A 100 -3.782 -15.927 -7.413 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.884 -16.638 -5.042 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.817 -17.813 -4.797 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.970 -17.428 -3.883 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.946 -18.506 -3.749 1.00 0.00 N ATOM 1564 CZ ARG A 100 -9.930 -18.500 -2.857 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -10.068 -17.477 -2.025 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -10.779 -19.518 -2.797 1.00 0.00 N ATOM 0 H ARG A 100 -4.223 -17.253 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.493 -17.943 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.857 -16.014 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.289 -16.025 -5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.210 -18.172 -5.748 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.258 -18.636 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.581 -17.167 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.463 -16.539 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.868 -19.308 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.418 -16.692 -2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.824 -17.475 -1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.676 -20.306 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.534 -19.512 -2.112 1.00 0.00 H new ATOM 1580 N ALA A 101 -3.178 -14.993 -5.458 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.487 -13.871 -6.081 1.00 0.00 C ATOM 1582 C ALA A 101 -1.516 -14.352 -7.153 1.00 0.00 C ATOM 1583 O ALA A 101 -1.252 -13.646 -8.127 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.753 -13.053 -5.030 1.00 0.00 C ATOM 0 H ALA A 101 -3.161 -14.985 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.233 -13.238 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.242 -12.219 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.468 -12.670 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.022 -13.683 -4.523 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.985 -15.557 -6.968 1.00 0.00 N ATOM 1591 CA GLN A 102 -0.041 -16.130 -7.919 1.00 0.00 C ATOM 1592 C GLN A 102 -0.757 -16.596 -9.183 1.00 0.00 C ATOM 1593 O GLN A 102 -0.209 -16.522 -10.283 1.00 0.00 O ATOM 1594 CB GLN A 102 0.709 -17.301 -7.282 1.00 0.00 C ATOM 1595 CG GLN A 102 1.548 -16.904 -6.078 1.00 0.00 C ATOM 1596 CD GLN A 102 2.966 -16.522 -6.455 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.704 -15.969 -5.500 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 3.393 -16.722 -7.593 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.193 -16.155 -6.168 1.00 0.00 H new ATOM 0 HA GLN A 102 0.675 -15.356 -8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.011 -18.060 -6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.356 -17.757 -8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.073 -16.065 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.575 -17.732 -5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.790 -17.150 -8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.349 -16.460 -7.832 1.00 0.00 H new ATOM 1607 N THR A 103 -1.985 -17.078 -9.018 1.00 0.00 N ATOM 1608 CA THR A 103 -2.776 -17.557 -10.144 1.00 0.00 C ATOM 1609 C THR A 103 -3.786 -16.508 -10.594 1.00 0.00 C ATOM 1610 O THR A 103 -3.717 -16.006 -11.715 1.00 0.00 O ATOM 1611 CB THR A 103 -3.524 -18.857 -9.793 1.00 0.00 C ATOM 1612 OG1 THR A 103 -4.448 -18.616 -8.725 1.00 0.00 O ATOM 1613 CG2 THR A 103 -2.548 -19.951 -9.389 1.00 0.00 C ATOM 0 H THR A 103 -2.453 -17.147 -8.114 1.00 0.00 H new ATOM 0 HA THR A 103 -2.078 -17.756 -10.957 1.00 0.00 H new ATOM 0 HB THR A 103 -4.069 -19.188 -10.677 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.921 -19.446 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.100 -20.859 -9.146 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.864 -20.152 -10.214 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.979 -19.627 -8.517 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.723 -16.179 -9.710 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.746 -15.187 -10.016 1.00 0.00 C ATOM 1623 C ALA A 104 -5.193 -14.088 -10.916 1.00 0.00 C ATOM 1624 O ALA A 104 -4.071 -13.613 -10.740 1.00 0.00 O ATOM 1625 CB ALA A 104 -6.303 -14.590 -8.732 1.00 0.00 C ATOM 0 H ALA A 104 -4.794 -16.585 -8.777 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.553 -15.687 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.066 -13.851 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.744 -15.380 -8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.498 -14.111 -8.175 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.997 -13.672 -11.906 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.609 -12.623 -12.854 1.00 0.00 C ATOM 1633 C PRO A 105 -5.540 -11.248 -12.200 1.00 0.00 C ATOM 1634 O PRO A 105 -5.962 -11.053 -11.060 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.724 -12.662 -13.902 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.901 -13.222 -13.182 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.348 -14.193 -12.176 1.00 0.00 C ATOM 0 HA PRO A 105 -4.614 -12.792 -13.265 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.936 -11.666 -14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.447 -13.285 -14.752 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.470 -12.433 -12.691 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.580 -13.721 -13.873 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.955 -14.224 -11.271 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.316 -15.208 -12.573 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.995 -10.268 -12.937 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.859 -8.893 -12.449 1.00 0.00 C ATOM 1647 C PRO A 106 -6.204 -8.185 -12.325 1.00 0.00 C ATOM 1648 O PRO A 106 -7.086 -8.357 -13.167 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.998 -8.220 -13.521 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.244 -9.012 -14.758 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.471 -10.428 -14.304 1.00 0.00 C ATOM 0 HA PRO A 106 -4.426 -8.857 -11.449 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.280 -7.176 -13.657 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.943 -8.232 -13.247 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.111 -8.632 -15.299 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.393 -8.951 -15.436 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.180 -10.948 -14.948 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.547 -11.007 -14.315 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.354 -7.390 -11.272 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.593 -6.658 -11.037 1.00 0.00 C ATOM 1661 C TYR A 107 -8.769 -7.616 -10.870 1.00 0.00 C ATOM 1662 O TYR A 107 -9.831 -7.423 -11.460 1.00 0.00 O ATOM 1663 CB TYR A 107 -7.868 -5.694 -12.193 1.00 0.00 C ATOM 1664 CG TYR A 107 -6.831 -4.602 -12.329 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -6.913 -3.441 -11.571 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -5.769 -4.732 -13.216 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -5.968 -2.440 -11.694 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -4.819 -3.737 -13.344 1.00 0.00 C ATOM 1669 CZ TYR A 107 -4.923 -2.593 -12.581 1.00 0.00 C ATOM 1670 OH TYR A 107 -3.980 -1.599 -12.704 1.00 0.00 O ATOM 0 H TYR A 107 -5.633 -7.236 -10.567 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.478 -6.087 -10.115 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.913 -6.259 -13.124 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -8.848 -5.238 -12.050 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.729 -3.318 -10.874 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -5.685 -5.626 -13.816 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.047 -1.542 -11.099 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.000 -3.854 -14.038 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.311 -1.863 -13.370 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.569 -8.651 -10.060 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.612 -9.639 -9.811 1.00 0.00 C ATOM 1682 C ALA A 108 -10.210 -9.467 -8.419 1.00 0.00 C ATOM 1683 O ALA A 108 -11.404 -9.205 -8.274 1.00 0.00 O ATOM 1684 CB ALA A 108 -9.058 -11.045 -9.980 1.00 0.00 C ATOM 0 H ALA A 108 -7.695 -8.827 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.407 -9.484 -10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.848 -11.772 -9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.686 -11.170 -10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.243 -11.202 -9.273 1.00 0.00 H new ATOM 1690 N MET A 109 -9.373 -9.617 -7.398 1.00 0.00 N ATOM 1691 CA MET A 109 -9.820 -9.477 -6.017 1.00 0.00 C ATOM 1692 C MET A 109 -9.741 -8.023 -5.564 1.00 0.00 C ATOM 1693 O MET A 109 -9.238 -7.727 -4.481 1.00 0.00 O ATOM 1694 CB MET A 109 -8.975 -10.357 -5.093 1.00 0.00 C ATOM 1695 CG MET A 109 -9.183 -11.847 -5.315 1.00 0.00 C ATOM 1696 SD MET A 109 -8.055 -12.530 -6.544 1.00 0.00 S ATOM 1697 CE MET A 109 -6.573 -12.745 -5.561 1.00 0.00 C ATOM 0 H MET A 109 -8.382 -9.835 -7.501 1.00 0.00 H new ATOM 0 HA MET A 109 -10.860 -9.800 -5.964 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.922 -10.119 -5.242 1.00 0.00 H new ATOM 0 HB3 MET A 109 -9.213 -10.116 -4.057 1.00 0.00 H new ATOM 0 HG2 MET A 109 -9.047 -12.374 -4.370 1.00 0.00 H new ATOM 0 HG3 MET A 109 -10.211 -12.023 -5.633 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.700 -12.743 -6.214 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.491 -11.929 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.625 -13.694 -5.027 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.242 -7.119 -6.400 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.227 -5.695 -6.086 1.00 0.00 C ATOM 1709 C ASN A 110 -11.437 -5.313 -5.238 1.00 0.00 C ATOM 1710 O ASN A 110 -11.348 -4.452 -4.363 1.00 0.00 O ATOM 1711 CB ASN A 110 -10.210 -4.868 -7.372 1.00 0.00 C ATOM 1712 CG ASN A 110 -10.674 -3.441 -7.148 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.803 -3.204 -6.720 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -9.802 -2.483 -7.439 1.00 0.00 N ATOM 0 H ASN A 110 -10.663 -7.348 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.323 -5.484 -5.515 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.200 -4.859 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.851 -5.343 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.058 -1.504 -7.310 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.876 -2.726 -7.792 1.00 0.00 H new ATOM 1721 N SER A 111 -12.567 -5.960 -5.504 1.00 0.00 N ATOM 1722 CA SER A 111 -13.796 -5.686 -4.769 1.00 0.00 C ATOM 1723 C SER A 111 -13.650 -6.077 -3.301 1.00 0.00 C ATOM 1724 O SER A 111 -13.671 -5.223 -2.416 1.00 0.00 O ATOM 1725 CB SER A 111 -14.970 -6.443 -5.395 1.00 0.00 C ATOM 1726 OG SER A 111 -15.289 -5.921 -6.673 1.00 0.00 O ATOM 0 H SER A 111 -12.657 -6.678 -6.223 1.00 0.00 H new ATOM 0 HA SER A 111 -13.992 -4.615 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.720 -7.500 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.841 -6.374 -4.743 1.00 0.00 H new ATOM 0 HG SER A 111 -16.041 -6.422 -7.053 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.500 -7.375 -3.053 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.351 -7.879 -1.693 1.00 0.00 C ATOM 1734 C GLU A 112 -12.301 -7.078 -0.928 1.00 0.00 C ATOM 1735 O GLU A 112 -12.573 -6.544 0.148 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.964 -9.359 -1.713 1.00 0.00 C ATOM 1737 CG GLU A 112 -14.115 -10.284 -2.072 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.532 -10.161 -3.525 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -13.827 -10.719 -4.392 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -15.561 -9.507 -3.794 1.00 0.00 O ATOM 0 H GLU A 112 -13.479 -8.095 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.309 -7.768 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.155 -9.505 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.577 -9.638 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.825 -11.315 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.969 -10.060 -1.433 1.00 0.00 H new ATOM 1747 N PHE A 113 -11.099 -7.000 -1.490 1.00 0.00 N ATOM 1748 CA PHE A 113 -10.007 -6.267 -0.861 1.00 0.00 C ATOM 1749 C PHE A 113 -10.375 -4.798 -0.675 1.00 0.00 C ATOM 1750 O PHE A 113 -10.319 -4.269 0.435 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.735 -6.383 -1.703 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.472 -6.338 -0.892 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.311 -7.162 0.210 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.446 -5.470 -1.230 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.150 -7.123 0.960 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.283 -5.427 -0.485 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.135 -6.253 0.612 1.00 0.00 C ATOM 0 H PHE A 113 -10.857 -7.436 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.826 -6.705 0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.764 -7.317 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.717 -5.574 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.102 -7.843 0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.557 -4.820 -2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.037 -7.771 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.490 -4.748 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.228 -6.219 1.197 1.00 0.00 H new ATOM 1767 N SER A 114 -10.750 -4.145 -1.770 1.00 0.00 N ATOM 1768 CA SER A 114 -11.123 -2.735 -1.730 1.00 0.00 C ATOM 1769 C SER A 114 -11.866 -2.407 -0.438 1.00 0.00 C ATOM 1770 O SER A 114 -11.539 -1.440 0.250 1.00 0.00 O ATOM 1771 CB SER A 114 -11.993 -2.381 -2.937 1.00 0.00 C ATOM 1772 OG SER A 114 -12.674 -1.155 -2.733 1.00 0.00 O ATOM 0 H SER A 114 -10.804 -4.569 -2.696 1.00 0.00 H new ATOM 0 HA SER A 114 -10.210 -2.141 -1.764 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.371 -2.311 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.716 -3.177 -3.114 1.00 0.00 H new ATOM 0 HG SER A 114 -13.222 -0.950 -3.519 1.00 0.00 H new ATOM 1778 N SER A 115 -12.867 -3.219 -0.116 1.00 0.00 N ATOM 1779 CA SER A 115 -13.660 -3.014 1.090 1.00 0.00 C ATOM 1780 C SER A 115 -12.813 -3.228 2.341 1.00 0.00 C ATOM 1781 O SER A 115 -12.813 -2.402 3.253 1.00 0.00 O ATOM 1782 CB SER A 115 -14.860 -3.964 1.105 1.00 0.00 C ATOM 1783 OG SER A 115 -15.788 -3.597 2.111 1.00 0.00 O ATOM 0 H SER A 115 -13.148 -4.025 -0.674 1.00 0.00 H new ATOM 0 HA SER A 115 -14.020 -1.985 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.350 -3.951 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.518 -4.985 1.276 1.00 0.00 H new ATOM 0 HG SER A 115 -16.546 -4.218 2.099 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.090 -4.343 2.375 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.236 -4.666 3.511 1.00 0.00 C ATOM 1791 C VAL A 116 -10.258 -3.534 3.803 1.00 0.00 C ATOM 1792 O VAL A 116 -10.209 -3.013 4.919 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.444 -5.964 3.267 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.488 -6.232 4.420 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.392 -7.137 3.067 1.00 0.00 C ATOM 0 H VAL A 116 -12.079 -5.038 1.628 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.892 -4.806 4.370 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.854 -5.843 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.937 -7.153 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.787 -5.402 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.054 -6.333 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.815 -8.046 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.010 -7.261 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.031 -6.945 2.205 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.480 -3.156 2.795 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.502 -2.084 2.942 1.00 0.00 C ATOM 1807 C LEU A 117 -9.146 -0.838 3.541 1.00 0.00 C ATOM 1808 O LEU A 117 -8.671 -0.302 4.542 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.877 -1.748 1.587 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.734 -2.656 1.132 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.301 -2.299 -0.282 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.559 -2.557 2.093 1.00 0.00 C ATOM 0 H LEU A 117 -9.508 -3.576 1.866 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.721 -2.428 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.661 -1.777 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.508 -0.723 1.624 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.091 -3.686 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.487 -2.955 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.143 -2.422 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.962 -1.263 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.755 -3.210 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.201 -1.528 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.877 -2.862 3.090 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.232 -0.384 2.923 1.00 0.00 N ATOM 1825 CA ALA A 118 -10.944 0.796 3.398 1.00 0.00 C ATOM 1826 C ALA A 118 -11.165 0.735 4.906 1.00 0.00 C ATOM 1827 O ALA A 118 -10.916 1.706 5.619 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.274 0.937 2.673 1.00 0.00 C ATOM 0 H ALA A 118 -10.638 -0.816 2.093 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.331 1.671 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.795 1.822 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.096 1.036 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.885 0.054 2.859 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.634 -0.413 5.384 1.00 0.00 N ATOM 1835 CA ALA A 119 -11.887 -0.601 6.807 1.00 0.00 C ATOM 1836 C ALA A 119 -10.620 -0.376 7.624 1.00 0.00 C ATOM 1837 O ALA A 119 -10.646 0.298 8.653 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.444 -1.994 7.064 1.00 0.00 C ATOM 0 H ALA A 119 -11.846 -1.227 4.807 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.625 0.137 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.628 -2.121 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.378 -2.119 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.725 -2.741 6.729 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.512 -0.946 7.160 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.235 -0.808 7.850 1.00 0.00 C ATOM 1846 C GLN A 120 -7.783 0.648 7.871 1.00 0.00 C ATOM 1847 O GLN A 120 -7.420 1.181 8.921 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.171 -1.676 7.176 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.342 -3.163 7.439 1.00 0.00 C ATOM 1850 CD GLN A 120 -6.962 -3.552 8.855 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -5.802 -3.851 9.138 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -7.941 -3.551 9.752 1.00 0.00 N ATOM 0 H GLN A 120 -9.473 -1.508 6.309 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.368 -1.143 8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.199 -1.500 6.101 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.186 -1.365 7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.379 -3.444 7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.729 -3.726 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.888 -3.296 9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.746 -3.805 10.720 1.00 0.00 H new ATOM 1861 N LEU A 121 -7.806 1.286 6.707 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.397 2.682 6.591 1.00 0.00 C ATOM 1863 C LEU A 121 -8.232 3.571 7.507 1.00 0.00 C ATOM 1864 O LEU A 121 -7.694 4.387 8.257 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.531 3.155 5.142 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.298 2.965 4.258 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -6.690 2.963 2.788 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.270 4.051 4.536 1.00 0.00 C ATOM 0 H LEU A 121 -8.103 0.860 5.829 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.353 2.756 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.367 2.626 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.789 4.214 5.149 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.850 2.000 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.800 2.827 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.389 2.148 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.162 3.912 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.399 3.900 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.707 5.028 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.966 4.005 5.582 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.548 3.407 7.443 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.459 4.192 8.269 1.00 0.00 C ATOM 1882 C LYS A 122 -10.287 3.848 9.745 1.00 0.00 C ATOM 1883 O LYS A 122 -9.835 4.675 10.538 1.00 0.00 O ATOM 1884 CB LYS A 122 -11.908 3.946 7.842 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.851 5.076 8.215 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.304 4.677 8.019 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.249 5.807 8.399 1.00 0.00 C ATOM 1888 NZ LYS A 122 -16.641 5.545 7.938 1.00 0.00 N ATOM 0 H LYS A 122 -10.009 2.737 6.827 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.220 5.246 8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -11.940 3.798 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.261 3.022 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.688 5.359 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.628 5.953 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.469 4.398 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.525 3.797 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.243 5.937 9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.892 6.741 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -17.254 6.338 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.651 5.446 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.991 4.668 8.373 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.650 2.622 10.109 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.534 2.168 11.490 1.00 0.00 C ATOM 1904 C HIS A 123 -9.297 2.764 12.156 1.00 0.00 C ATOM 1905 O HIS A 123 -9.396 3.437 13.183 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.470 0.641 11.544 1.00 0.00 C ATOM 1907 CG HIS A 123 -10.650 0.083 12.922 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -10.508 0.661 14.137 1.00 0.00 N flip ATOM 1909 CD2 HIS A 123 -11.019 -1.224 13.162 1.00 0.00 C flip ATOM 1910 CE1 HIS A 123 -10.792 -0.296 15.080 1.00 0.00 C flip ATOM 1911 NE2 HIS A 123 -11.097 -1.425 14.465 1.00 0.00 N flip ATOM 0 H HIS A 123 -11.027 1.925 9.467 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.417 2.507 12.033 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -11.240 0.230 10.891 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.509 0.312 11.150 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -11.214 -1.967 12.403 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -10.770 -0.150 16.150 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -11.350 -2.303 14.919 1.00 0.00 H new ATOM 1920 N HIS A 124 -8.134 2.513 11.565 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.877 3.025 12.101 1.00 0.00 C ATOM 1922 C HIS A 124 -6.927 4.543 12.245 1.00 0.00 C ATOM 1923 O HIS A 124 -6.610 5.087 13.303 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.711 2.625 11.197 1.00 0.00 C ATOM 1925 CG HIS A 124 -5.545 1.143 11.056 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -5.134 0.540 9.886 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -5.733 0.142 11.947 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -5.080 -0.768 10.063 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -5.438 -1.036 11.306 1.00 0.00 N ATOM 0 H HIS A 124 -8.035 1.958 10.715 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.727 2.588 13.088 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.861 3.061 10.209 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.790 3.049 11.596 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.907 1.028 9.019 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.055 0.250 12.972 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.792 -1.495 9.318 1.00 0.00 H new