USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 715 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 88 THR OG1 : rot 75:sc= 1.26 USER MOD Set 1.2: A 89 HIS : no HD1:sc= 1.07 K(o=2.3,f=-4!) USER MOD Set 2.1: A 79 HIS : no HD1:sc= -4.09! C(o=-3!,f=-7.8!) USER MOD Set 2.2: A 87 THR OG1 : rot -39:sc= 1.12 USER MOD Single : A 47 THR OG1 : rot -21:sc= 0.336 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00704 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.21! C(o=-1.2!,f=-7.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 160:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.042 USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= 0.0494 (180deg=-1.14!) USER MOD Single : A 71 MET CE :methyl 145:sc= -1.68! (180deg=-5.27!) USER MOD Single : A 72 MET CE :methyl -173:sc= -0.0293 (180deg=-0.128) USER MOD Single : A 74 HIS : no HE2:sc= -0.536 K(o=-0.54,f=-1.8) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 78 TYR OH : rot 130:sc= -0.0341 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0752 USER MOD Single : A 83 SER OG : rot 17:sc= 0.00165 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -137:sc= 0.825 USER MOD Single : A 94 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.042) USER MOD Single : A 97 ASN : amide:sc= 0.023 K(o=0.023,f=-1.5!) USER MOD Single : A 99 LYS NZ :NH3+ -154:sc= -0.0696 (180deg=-0.451) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 98:sc= 1.28 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 132 TYR OH : rot -71:sc= 2.17 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 5.244 12.825 -1.749 1.00 0.00 N ATOM 103 CA THR A 47 5.184 11.871 -2.848 1.00 0.00 C ATOM 104 C THR A 47 5.768 10.523 -2.440 1.00 0.00 C ATOM 105 O THR A 47 6.180 9.732 -3.289 1.00 0.00 O ATOM 106 CB THR A 47 5.939 12.391 -4.086 1.00 0.00 C ATOM 107 OG1 THR A 47 7.152 13.038 -3.684 1.00 0.00 O ATOM 108 CG2 THR A 47 5.078 13.364 -4.876 1.00 0.00 C ATOM 0 HA THR A 47 4.131 11.746 -3.100 1.00 0.00 H new ATOM 0 HB THR A 47 6.176 11.539 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.084 13.305 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.633 13.718 -5.745 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.169 12.861 -5.205 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.814 14.212 -4.244 1.00 0.00 H new ATOM 116 N ILE A 48 5.801 10.269 -1.136 1.00 0.00 N ATOM 117 CA ILE A 48 6.333 9.016 -0.616 1.00 0.00 C ATOM 118 C ILE A 48 5.638 7.817 -1.252 1.00 0.00 C ATOM 119 O ILE A 48 6.161 6.703 -1.238 1.00 0.00 O ATOM 120 CB ILE A 48 6.181 8.931 0.914 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.707 9.042 1.309 1.00 0.00 C ATOM 122 CG2 ILE A 48 6.999 10.022 1.589 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.401 8.464 2.673 1.00 0.00 C ATOM 0 H ILE A 48 5.466 10.914 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 48 7.393 8.995 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 48 6.556 7.963 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.413 10.092 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.100 8.531 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.881 9.949 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.051 9.901 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.652 10.999 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.338 8.578 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.663 7.406 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.981 8.991 3.430 1.00 0.00 H new ATOM 135 N PHE A 49 4.456 8.053 -1.811 1.00 0.00 N ATOM 136 CA PHE A 49 3.688 6.993 -2.454 1.00 0.00 C ATOM 137 C PHE A 49 3.274 7.400 -3.865 1.00 0.00 C ATOM 138 O PHE A 49 2.232 6.976 -4.364 1.00 0.00 O ATOM 139 CB PHE A 49 2.447 6.658 -1.623 1.00 0.00 C ATOM 140 CG PHE A 49 2.756 5.897 -0.366 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.481 4.717 -0.414 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.320 6.361 0.865 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.766 4.014 0.741 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.604 5.663 2.024 1.00 0.00 C ATOM 145 CZ PHE A 49 3.326 4.487 1.962 1.00 0.00 C ATOM 0 H PHE A 49 4.009 8.969 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 49 4.322 6.109 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.934 7.583 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.758 6.073 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.828 4.342 -1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.752 7.278 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.332 3.096 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.262 6.037 2.978 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.546 3.939 2.866 1.00 0.00 H new ATOM 155 N SER A 50 4.099 8.226 -4.502 1.00 0.00 N ATOM 156 CA SER A 50 3.818 8.694 -5.854 1.00 0.00 C ATOM 157 C SER A 50 3.415 7.533 -6.758 1.00 0.00 C ATOM 158 O SER A 50 4.086 6.502 -6.800 1.00 0.00 O ATOM 159 CB SER A 50 5.040 9.407 -6.434 1.00 0.00 C ATOM 160 OG SER A 50 5.865 8.505 -7.150 1.00 0.00 O ATOM 0 H SER A 50 4.967 8.584 -4.103 1.00 0.00 H new ATOM 0 HA SER A 50 2.987 9.397 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.716 10.211 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.612 9.867 -5.629 1.00 0.00 H new ATOM 0 HG SER A 50 6.638 8.986 -7.512 1.00 0.00 H new ATOM 166 N GLY A 51 2.314 7.709 -7.483 1.00 0.00 N ATOM 167 CA GLY A 51 1.840 6.669 -8.377 1.00 0.00 C ATOM 168 C GLY A 51 2.007 5.281 -7.792 1.00 0.00 C ATOM 169 O GLY A 51 2.426 4.353 -8.484 1.00 0.00 O ATOM 0 H GLY A 51 1.742 8.553 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.788 6.840 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.383 6.730 -9.320 1.00 0.00 H new ATOM 173 N VAL A 52 1.680 5.137 -6.511 1.00 0.00 N ATOM 174 CA VAL A 52 1.796 3.852 -5.832 1.00 0.00 C ATOM 175 C VAL A 52 0.422 3.275 -5.510 1.00 0.00 C ATOM 176 O VAL A 52 -0.244 3.716 -4.575 1.00 0.00 O ATOM 177 CB VAL A 52 2.606 3.978 -4.528 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.462 2.719 -3.687 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.069 4.259 -4.836 1.00 0.00 C ATOM 0 H VAL A 52 1.333 5.895 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 52 2.319 3.180 -6.513 1.00 0.00 H new ATOM 0 HB VAL A 52 2.211 4.816 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.041 2.826 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.412 2.566 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.830 1.861 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.627 4.345 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.479 3.442 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.151 5.191 -5.395 1.00 0.00 H new ATOM 189 N ALA A 53 0.004 2.285 -6.292 1.00 0.00 N ATOM 190 CA ALA A 53 -1.289 1.644 -6.089 1.00 0.00 C ATOM 191 C ALA A 53 -1.148 0.372 -5.262 1.00 0.00 C ATOM 192 O ALA A 53 -0.138 -0.328 -5.349 1.00 0.00 O ATOM 193 CB ALA A 53 -1.941 1.336 -7.429 1.00 0.00 C ATOM 0 H ALA A 53 0.543 1.909 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.927 2.335 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.906 0.857 -7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.086 2.263 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.298 0.667 -8.001 1.00 0.00 H new ATOM 199 N ILE A 54 -2.165 0.078 -4.459 1.00 0.00 N ATOM 200 CA ILE A 54 -2.153 -1.111 -3.616 1.00 0.00 C ATOM 201 C ILE A 54 -3.482 -1.855 -3.695 1.00 0.00 C ATOM 202 O ILE A 54 -4.541 -1.242 -3.833 1.00 0.00 O ATOM 203 CB ILE A 54 -1.864 -0.756 -2.145 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.925 0.208 -1.612 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.475 -0.151 -2.010 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.125 0.121 -0.116 1.00 0.00 C ATOM 0 H ILE A 54 -3.007 0.647 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.356 -1.754 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.901 -1.670 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.642 1.228 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.873 0.003 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.285 0.095 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.269 -0.868 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.413 0.755 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.892 0.833 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.439 -0.888 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.189 0.356 0.390 1.00 0.00 H new ATOM 218 N TYR A 55 -3.419 -3.179 -3.607 1.00 0.00 N ATOM 219 CA TYR A 55 -4.617 -4.007 -3.670 1.00 0.00 C ATOM 220 C TYR A 55 -4.780 -4.828 -2.394 1.00 0.00 C ATOM 221 O TYR A 55 -4.038 -5.781 -2.156 1.00 0.00 O ATOM 222 CB TYR A 55 -4.557 -4.937 -4.883 1.00 0.00 C ATOM 223 CG TYR A 55 -5.647 -5.985 -4.897 1.00 0.00 C ATOM 224 CD1 TYR A 55 -6.984 -5.624 -5.004 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.339 -7.337 -4.802 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.983 -6.578 -5.016 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.331 -8.298 -4.815 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.651 -7.914 -4.922 1.00 0.00 C ATOM 229 OH TYR A 55 -8.642 -8.868 -4.934 1.00 0.00 O ATOM 0 H TYR A 55 -2.551 -3.702 -3.492 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.479 -3.347 -3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.627 -4.340 -5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.587 -5.434 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.247 -4.579 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.306 -7.641 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.018 -6.280 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.074 -9.344 -4.742 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.240 -9.759 -4.861 1.00 0.00 H new ATOM 239 N VAL A 56 -5.757 -4.450 -1.575 1.00 0.00 N ATOM 240 CA VAL A 56 -6.020 -5.151 -0.324 1.00 0.00 C ATOM 241 C VAL A 56 -6.794 -6.441 -0.569 1.00 0.00 C ATOM 242 O VAL A 56 -7.860 -6.429 -1.182 1.00 0.00 O ATOM 243 CB VAL A 56 -6.812 -4.267 0.658 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.097 -5.024 1.946 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.056 -2.978 0.943 1.00 0.00 C ATOM 0 H VAL A 56 -6.379 -3.662 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.051 -5.391 0.115 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.766 -4.007 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.657 -4.384 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.682 -5.916 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.156 -5.315 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.630 -2.366 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.087 -3.214 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.909 -2.429 0.013 1.00 0.00 H new ATOM 255 N ASN A 57 -6.250 -7.552 -0.084 1.00 0.00 N ATOM 256 CA ASN A 57 -6.890 -8.852 -0.250 1.00 0.00 C ATOM 257 C ASN A 57 -7.163 -9.501 1.103 1.00 0.00 C ATOM 258 O ASN A 57 -6.238 -9.902 1.809 1.00 0.00 O ATOM 259 CB ASN A 57 -6.012 -9.771 -1.102 1.00 0.00 C ATOM 260 CG ASN A 57 -6.650 -11.127 -1.335 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.492 -11.572 -0.555 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.251 -11.791 -2.414 1.00 0.00 N ATOM 0 H ASN A 57 -5.368 -7.578 0.427 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.842 -8.698 -0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.817 -9.294 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.048 -9.905 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.645 -12.708 -2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.550 -11.384 -3.033 1.00 0.00 H new ATOM 269 N GLY A 58 -8.440 -9.601 1.459 1.00 0.00 N ATOM 270 CA GLY A 58 -8.811 -10.203 2.727 1.00 0.00 C ATOM 271 C GLY A 58 -8.814 -9.202 3.865 1.00 0.00 C ATOM 272 O GLY A 58 -8.851 -7.993 3.637 1.00 0.00 O ATOM 0 H GLY A 58 -9.224 -9.276 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.801 -10.650 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.117 -11.010 2.959 1.00 0.00 H new ATOM 276 N TYR A 59 -8.775 -9.706 5.094 1.00 0.00 N ATOM 277 CA TYR A 59 -8.777 -8.847 6.272 1.00 0.00 C ATOM 278 C TYR A 59 -7.366 -8.368 6.599 1.00 0.00 C ATOM 279 O TYR A 59 -6.445 -9.170 6.758 1.00 0.00 O ATOM 280 CB TYR A 59 -9.365 -9.593 7.471 1.00 0.00 C ATOM 281 CG TYR A 59 -9.191 -8.862 8.783 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.942 -8.757 9.382 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.276 -8.278 9.424 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.779 -8.091 10.581 1.00 0.00 C ATOM 285 CE2 TYR A 59 -10.122 -7.608 10.623 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.871 -7.518 11.198 1.00 0.00 C ATOM 287 OH TYR A 59 -8.714 -6.853 12.392 1.00 0.00 O ATOM 0 H TYR A 59 -8.742 -10.704 5.300 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.396 -7.976 6.055 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.428 -9.763 7.297 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.894 -10.573 7.545 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.084 -9.204 8.902 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.257 -8.349 8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.801 -8.019 11.033 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.976 -7.158 11.107 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.581 -6.508 12.691 1.00 0.00 H new ATOM 297 N THR A 60 -7.203 -7.052 6.698 1.00 0.00 N ATOM 298 CA THR A 60 -5.906 -6.463 7.006 1.00 0.00 C ATOM 299 C THR A 60 -6.038 -5.351 8.040 1.00 0.00 C ATOM 300 O THR A 60 -7.146 -4.955 8.402 1.00 0.00 O ATOM 301 CB THR A 60 -5.233 -5.897 5.742 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.164 -5.092 5.009 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.716 -7.019 4.854 1.00 0.00 C ATOM 0 H THR A 60 -7.954 -6.374 6.569 1.00 0.00 H new ATOM 0 HA THR A 60 -5.285 -7.261 7.413 1.00 0.00 H new ATOM 0 HB THR A 60 -4.388 -5.283 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.675 -4.491 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.245 -6.594 3.968 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.985 -7.611 5.405 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.547 -7.657 4.553 1.00 0.00 H new ATOM 311 N ASP A 61 -4.902 -4.850 8.511 1.00 0.00 N ATOM 312 CA ASP A 61 -4.890 -3.781 9.503 1.00 0.00 C ATOM 313 C ASP A 61 -3.822 -2.744 9.172 1.00 0.00 C ATOM 314 O ASP A 61 -2.632 -3.048 9.089 1.00 0.00 O ATOM 315 CB ASP A 61 -4.647 -4.355 10.900 1.00 0.00 C ATOM 316 CG ASP A 61 -4.001 -3.350 11.833 1.00 0.00 C ATOM 317 OD1 ASP A 61 -4.699 -2.409 12.266 1.00 0.00 O ATOM 318 OD2 ASP A 61 -2.798 -3.504 12.131 1.00 0.00 O ATOM 0 H ASP A 61 -3.977 -5.167 8.222 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.864 -3.291 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.595 -4.684 11.325 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.010 -5.236 10.822 1.00 0.00 H new ATOM 323 N PRO A 62 -4.254 -1.489 8.977 1.00 0.00 N ATOM 324 CA PRO A 62 -5.669 -1.116 9.072 1.00 0.00 C ATOM 325 C PRO A 62 -6.497 -1.684 7.925 1.00 0.00 C ATOM 326 O PRO A 62 -5.952 -2.198 6.948 1.00 0.00 O ATOM 327 CB PRO A 62 -5.637 0.413 9.003 1.00 0.00 C ATOM 328 CG PRO A 62 -4.381 0.733 8.270 1.00 0.00 C ATOM 329 CD PRO A 62 -3.396 -0.339 8.648 1.00 0.00 C ATOM 0 HA PRO A 62 -6.134 -1.506 9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.510 0.804 8.481 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.637 0.854 10.000 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.550 0.746 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.009 1.720 8.546 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.715 -0.567 7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.782 -0.039 9.497 1.00 0.00 H new ATOM 337 N SER A 63 -7.817 -1.588 8.050 1.00 0.00 N ATOM 338 CA SER A 63 -8.721 -2.096 7.025 1.00 0.00 C ATOM 339 C SER A 63 -8.381 -1.505 5.660 1.00 0.00 C ATOM 340 O SER A 63 -7.509 -0.644 5.544 1.00 0.00 O ATOM 341 CB SER A 63 -10.171 -1.771 7.387 1.00 0.00 C ATOM 342 OG SER A 63 -10.318 -0.404 7.729 1.00 0.00 O ATOM 0 H SER A 63 -8.284 -1.163 8.851 1.00 0.00 H new ATOM 0 HA SER A 63 -8.601 -3.178 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.821 -2.010 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.489 -2.394 8.223 1.00 0.00 H new ATOM 0 HG SER A 63 -11.254 -0.222 7.955 1.00 0.00 H new ATOM 348 N ALA A 64 -9.077 -1.974 4.629 1.00 0.00 N ATOM 349 CA ALA A 64 -8.851 -1.492 3.273 1.00 0.00 C ATOM 350 C ALA A 64 -9.308 -0.045 3.121 1.00 0.00 C ATOM 351 O ALA A 64 -8.613 0.775 2.521 1.00 0.00 O ATOM 352 CB ALA A 64 -9.570 -2.381 2.269 1.00 0.00 C ATOM 0 H ALA A 64 -9.802 -2.687 4.708 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.780 -1.531 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.392 -2.008 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.194 -3.401 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.640 -2.372 2.476 1.00 0.00 H new ATOM 358 N GLU A 65 -10.480 0.262 3.670 1.00 0.00 N ATOM 359 CA GLU A 65 -11.029 1.610 3.593 1.00 0.00 C ATOM 360 C GLU A 65 -10.026 2.636 4.115 1.00 0.00 C ATOM 361 O GLU A 65 -9.923 3.742 3.586 1.00 0.00 O ATOM 362 CB GLU A 65 -12.330 1.701 4.392 1.00 0.00 C ATOM 363 CG GLU A 65 -12.893 3.109 4.482 1.00 0.00 C ATOM 364 CD GLU A 65 -13.683 3.502 3.248 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.602 2.746 2.869 1.00 0.00 O ATOM 366 OE2 GLU A 65 -13.382 4.562 2.663 1.00 0.00 O ATOM 0 H GLU A 65 -11.066 -0.405 4.172 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.238 1.831 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.074 1.050 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.155 1.324 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.536 3.184 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.075 3.815 4.625 1.00 0.00 H new ATOM 373 N GLU A 66 -9.292 2.260 5.157 1.00 0.00 N ATOM 374 CA GLU A 66 -8.299 3.147 5.752 1.00 0.00 C ATOM 375 C GLU A 66 -7.133 3.377 4.795 1.00 0.00 C ATOM 376 O GLU A 66 -6.677 4.507 4.613 1.00 0.00 O ATOM 377 CB GLU A 66 -7.785 2.564 7.069 1.00 0.00 C ATOM 378 CG GLU A 66 -8.806 2.606 8.193 1.00 0.00 C ATOM 379 CD GLU A 66 -9.261 4.016 8.516 1.00 0.00 C ATOM 380 OE1 GLU A 66 -10.142 4.534 7.798 1.00 0.00 O ATOM 381 OE2 GLU A 66 -8.736 4.602 9.486 1.00 0.00 O ATOM 0 H GLU A 66 -9.366 1.347 5.607 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.778 4.106 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.480 1.530 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.895 3.113 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.671 2.004 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.376 2.153 9.086 1.00 0.00 H new ATOM 388 N LEU A 67 -6.653 2.298 4.186 1.00 0.00 N ATOM 389 CA LEU A 67 -5.539 2.381 3.248 1.00 0.00 C ATOM 390 C LEU A 67 -5.984 3.001 1.927 1.00 0.00 C ATOM 391 O LEU A 67 -5.169 3.538 1.176 1.00 0.00 O ATOM 392 CB LEU A 67 -4.952 0.990 2.999 1.00 0.00 C ATOM 393 CG LEU A 67 -4.387 0.271 4.224 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.076 -1.181 3.895 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.142 0.983 4.733 1.00 0.00 C ATOM 0 H LEU A 67 -7.018 1.356 4.325 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.773 3.019 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.728 0.363 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.158 1.080 2.257 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.140 0.290 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.675 -1.677 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.989 -1.686 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.341 -1.223 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.753 0.457 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.384 0.996 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.396 2.006 5.009 1.00 0.00 H new ATOM 407 N ARG A 68 -7.282 2.925 1.651 1.00 0.00 N ATOM 408 CA ARG A 68 -7.836 3.480 0.422 1.00 0.00 C ATOM 409 C ARG A 68 -7.633 4.992 0.369 1.00 0.00 C ATOM 410 O ARG A 68 -7.241 5.541 -0.662 1.00 0.00 O ATOM 411 CB ARG A 68 -9.325 3.151 0.314 1.00 0.00 C ATOM 412 CG ARG A 68 -9.964 3.633 -0.978 1.00 0.00 C ATOM 413 CD ARG A 68 -11.415 3.190 -1.082 1.00 0.00 C ATOM 414 NE ARG A 68 -11.537 1.742 -1.222 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.650 1.133 -1.615 1.00 0.00 C ATOM 416 NH1 ARG A 68 -13.731 1.843 -1.906 1.00 0.00 N ATOM 417 NH2 ARG A 68 -12.683 -0.190 -1.719 1.00 0.00 N ATOM 0 H ARG A 68 -7.970 2.484 2.262 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.310 3.030 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.457 2.072 0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.849 3.599 1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.910 4.721 -1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.403 3.247 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.958 3.515 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.882 3.677 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.723 1.166 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.709 2.860 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.584 1.372 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.853 -0.740 -1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.538 -0.657 -2.021 1.00 0.00 H new ATOM 431 N LYS A 69 -7.903 5.660 1.485 1.00 0.00 N ATOM 432 CA LYS A 69 -7.750 7.107 1.567 1.00 0.00 C ATOM 433 C LYS A 69 -6.287 7.490 1.762 1.00 0.00 C ATOM 434 O LYS A 69 -5.716 8.229 0.959 1.00 0.00 O ATOM 435 CB LYS A 69 -8.592 7.665 2.717 1.00 0.00 C ATOM 436 CG LYS A 69 -10.068 7.793 2.385 1.00 0.00 C ATOM 437 CD LYS A 69 -10.830 6.524 2.731 1.00 0.00 C ATOM 438 CE LYS A 69 -11.269 6.518 4.187 1.00 0.00 C ATOM 439 NZ LYS A 69 -10.192 6.022 5.089 1.00 0.00 N ATOM 0 H LYS A 69 -8.229 5.221 2.346 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.097 7.537 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.479 7.017 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.205 8.645 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.493 8.634 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.185 8.011 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.704 6.436 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.201 5.656 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.556 7.527 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.153 5.890 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.614 5.665 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.671 5.254 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.538 6.800 5.309 1.00 0.00 H new ATOM 453 N LEU A 70 -5.684 6.981 2.831 1.00 0.00 N ATOM 454 CA LEU A 70 -4.286 7.269 3.131 1.00 0.00 C ATOM 455 C LEU A 70 -3.456 7.327 1.852 1.00 0.00 C ATOM 456 O LEU A 70 -2.588 8.186 1.703 1.00 0.00 O ATOM 457 CB LEU A 70 -3.717 6.207 4.073 1.00 0.00 C ATOM 458 CG LEU A 70 -4.318 6.166 5.479 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.981 4.851 6.165 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.823 7.344 6.305 1.00 0.00 C ATOM 0 H LEU A 70 -6.142 6.367 3.504 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.238 8.242 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.855 5.229 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.643 6.368 4.163 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.402 6.239 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.417 4.840 7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.386 4.023 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.899 4.747 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.261 7.299 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.737 7.302 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.117 8.276 5.822 1.00 0.00 H new ATOM 472 N MET A 71 -3.732 6.408 0.932 1.00 0.00 N ATOM 473 CA MET A 71 -3.013 6.358 -0.336 1.00 0.00 C ATOM 474 C MET A 71 -3.188 7.659 -1.113 1.00 0.00 C ATOM 475 O MET A 71 -2.239 8.423 -1.284 1.00 0.00 O ATOM 476 CB MET A 71 -3.502 5.177 -1.178 1.00 0.00 C ATOM 477 CG MET A 71 -3.017 3.828 -0.672 1.00 0.00 C ATOM 478 SD MET A 71 -1.336 3.451 -1.203 1.00 0.00 S ATOM 479 CE MET A 71 -0.385 4.344 0.023 1.00 0.00 C ATOM 0 H MET A 71 -4.447 5.689 1.041 1.00 0.00 H new ATOM 0 HA MET A 71 -1.953 6.226 -0.119 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.592 5.179 -1.194 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.168 5.312 -2.207 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.061 3.815 0.417 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.690 3.048 -1.027 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.524 3.788 0.254 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.120 5.327 -0.367 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.979 4.462 0.929 1.00 0.00 H new ATOM 489 N MET A 72 -4.408 7.903 -1.581 1.00 0.00 N ATOM 490 CA MET A 72 -4.707 9.112 -2.339 1.00 0.00 C ATOM 491 C MET A 72 -4.218 10.353 -1.599 1.00 0.00 C ATOM 492 O MET A 72 -3.653 11.266 -2.202 1.00 0.00 O ATOM 493 CB MET A 72 -6.211 9.218 -2.599 1.00 0.00 C ATOM 494 CG MET A 72 -6.830 7.931 -3.120 1.00 0.00 C ATOM 495 SD MET A 72 -8.530 8.154 -3.678 1.00 0.00 S ATOM 496 CE MET A 72 -9.356 8.485 -2.123 1.00 0.00 C ATOM 0 H MET A 72 -5.205 7.280 -1.449 1.00 0.00 H new ATOM 0 HA MET A 72 -4.184 9.051 -3.293 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.712 9.504 -1.674 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.392 10.016 -3.319 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.228 7.551 -3.945 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.806 7.176 -2.334 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.433 8.522 -2.284 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.122 7.693 -1.411 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.016 9.442 -1.727 1.00 0.00 H new ATOM 506 N LEU A 73 -4.440 10.380 -0.289 1.00 0.00 N ATOM 507 CA LEU A 73 -4.022 11.510 0.534 1.00 0.00 C ATOM 508 C LEU A 73 -2.516 11.731 0.431 1.00 0.00 C ATOM 509 O LEU A 73 -2.026 12.843 0.630 1.00 0.00 O ATOM 510 CB LEU A 73 -4.416 11.276 1.993 1.00 0.00 C ATOM 511 CG LEU A 73 -5.910 11.357 2.307 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.216 10.672 3.630 1.00 0.00 C ATOM 513 CD2 LEU A 73 -6.371 12.807 2.335 1.00 0.00 C ATOM 0 H LEU A 73 -4.907 9.633 0.226 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.527 12.403 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.055 10.292 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.895 12.008 2.611 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.456 10.838 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.284 10.740 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.923 9.624 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.660 11.161 4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.437 12.846 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.818 13.350 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.188 13.266 1.363 1.00 0.00 H new ATOM 525 N HIS A 74 -1.787 10.665 0.116 1.00 0.00 N ATOM 526 CA HIS A 74 -0.336 10.744 -0.017 1.00 0.00 C ATOM 527 C HIS A 74 0.086 10.572 -1.473 1.00 0.00 C ATOM 528 O HIS A 74 1.182 10.093 -1.759 1.00 0.00 O ATOM 529 CB HIS A 74 0.335 9.678 0.850 1.00 0.00 C ATOM 530 CG HIS A 74 0.503 10.088 2.281 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.618 10.751 2.748 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.313 9.926 3.349 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.482 10.978 4.042 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.319 10.488 4.432 1.00 0.00 N ATOM 0 H HIS A 74 -2.176 9.737 -0.052 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.018 11.730 0.321 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.257 8.763 0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.313 9.443 0.431 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.422 11.024 2.183 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.280 9.445 3.350 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.200 11.479 4.674 1.00 0.00 H new ATOM 542 N GLY A 75 -0.793 10.967 -2.390 1.00 0.00 N ATOM 543 CA GLY A 75 -0.493 10.848 -3.804 1.00 0.00 C ATOM 544 C GLY A 75 -0.628 9.424 -4.308 1.00 0.00 C ATOM 545 O GLY A 75 -0.578 9.177 -5.512 1.00 0.00 O ATOM 0 H GLY A 75 -1.707 11.367 -2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.163 11.495 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.522 11.200 -3.988 1.00 0.00 H new ATOM 549 N GLY A 76 -0.797 8.484 -3.383 1.00 0.00 N ATOM 550 CA GLY A 76 -0.935 7.090 -3.759 1.00 0.00 C ATOM 551 C GLY A 76 -2.220 6.818 -4.517 1.00 0.00 C ATOM 552 O GLY A 76 -2.787 7.720 -5.131 1.00 0.00 O ATOM 0 H GLY A 76 -0.841 8.664 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.085 6.797 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.908 6.471 -2.862 1.00 0.00 H new ATOM 556 N GLN A 77 -2.677 5.571 -4.475 1.00 0.00 N ATOM 557 CA GLN A 77 -3.901 5.183 -5.165 1.00 0.00 C ATOM 558 C GLN A 77 -4.485 3.908 -4.564 1.00 0.00 C ATOM 559 O GLN A 77 -3.862 3.268 -3.717 1.00 0.00 O ATOM 560 CB GLN A 77 -3.628 4.979 -6.656 1.00 0.00 C ATOM 561 CG GLN A 77 -3.085 6.218 -7.350 1.00 0.00 C ATOM 562 CD GLN A 77 -2.824 5.993 -8.826 1.00 0.00 C ATOM 563 OE1 GLN A 77 -1.677 5.851 -9.251 1.00 0.00 O ATOM 564 NE2 GLN A 77 -3.890 5.960 -9.618 1.00 0.00 N ATOM 0 H GLN A 77 -2.218 4.812 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.627 5.986 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.916 4.163 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.551 4.673 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.795 7.037 -7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.159 6.526 -6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.823 6.082 -9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.776 5.812 -10.621 1.00 0.00 H new ATOM 573 N TYR A 78 -5.683 3.545 -5.009 1.00 0.00 N ATOM 574 CA TYR A 78 -6.352 2.348 -4.513 1.00 0.00 C ATOM 575 C TYR A 78 -7.095 1.634 -5.638 1.00 0.00 C ATOM 576 O TYR A 78 -7.610 2.269 -6.559 1.00 0.00 O ATOM 577 CB TYR A 78 -7.327 2.711 -3.392 1.00 0.00 C ATOM 578 CG TYR A 78 -8.025 1.514 -2.785 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.174 0.990 -3.362 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.533 0.908 -1.636 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.816 -0.103 -2.811 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.167 -0.186 -1.079 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.308 -0.687 -1.670 1.00 0.00 C ATOM 584 OH TYR A 78 -9.943 -1.777 -1.118 1.00 0.00 O ATOM 0 H TYR A 78 -6.211 4.062 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.591 1.674 -4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.786 3.241 -2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.077 3.399 -3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.573 1.444 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.640 1.298 -1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.710 -0.497 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.771 -0.646 -0.186 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.289 -2.489 -0.955 1.00 0.00 H new ATOM 594 N HIS A 79 -7.147 0.308 -5.555 1.00 0.00 N ATOM 595 CA HIS A 79 -7.829 -0.494 -6.564 1.00 0.00 C ATOM 596 C HIS A 79 -8.759 -1.512 -5.912 1.00 0.00 C ATOM 597 O HIS A 79 -8.336 -2.306 -5.072 1.00 0.00 O ATOM 598 CB HIS A 79 -6.809 -1.211 -7.450 1.00 0.00 C ATOM 599 CG HIS A 79 -5.952 -0.281 -8.251 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.675 -0.600 -8.663 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.197 0.966 -8.719 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.171 0.411 -9.348 1.00 0.00 C ATOM 603 NE2 HIS A 79 -5.074 1.373 -9.397 1.00 0.00 N ATOM 0 H HIS A 79 -6.725 -0.233 -4.800 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.428 0.176 -7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.169 -1.832 -6.823 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.337 -1.881 -8.129 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.106 1.534 -8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.187 0.445 -9.792 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.957 2.273 -9.863 1.00 0.00 H new ATOM 611 N VAL A 80 -10.029 -1.483 -6.304 1.00 0.00 N ATOM 612 CA VAL A 80 -11.019 -2.403 -5.758 1.00 0.00 C ATOM 613 C VAL A 80 -10.756 -3.832 -6.221 1.00 0.00 C ATOM 614 O VAL A 80 -10.815 -4.773 -5.429 1.00 0.00 O ATOM 615 CB VAL A 80 -12.448 -1.998 -6.167 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.464 -2.976 -5.598 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.749 -0.578 -5.712 1.00 0.00 C ATOM 0 H VAL A 80 -10.396 -0.832 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.932 -2.354 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.519 -2.030 -7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.467 -2.674 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.258 -3.977 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.396 -2.980 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.762 -0.308 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.660 -0.517 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.040 0.110 -6.173 1.00 0.00 H new ATOM 627 N TYR A 81 -10.464 -3.987 -7.507 1.00 0.00 N ATOM 628 CA TYR A 81 -10.193 -5.302 -8.076 1.00 0.00 C ATOM 629 C TYR A 81 -8.693 -5.524 -8.243 1.00 0.00 C ATOM 630 O TYR A 81 -7.903 -4.582 -8.180 1.00 0.00 O ATOM 631 CB TYR A 81 -10.895 -5.450 -9.427 1.00 0.00 C ATOM 632 CG TYR A 81 -12.402 -5.362 -9.339 1.00 0.00 C ATOM 633 CD1 TYR A 81 -13.041 -4.134 -9.221 1.00 0.00 C ATOM 634 CD2 TYR A 81 -13.188 -6.508 -9.374 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.417 -4.049 -9.140 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.565 -6.433 -9.295 1.00 0.00 C ATOM 637 CZ TYR A 81 -15.175 -5.201 -9.177 1.00 0.00 C ATOM 638 OH TYR A 81 -16.546 -5.121 -9.098 1.00 0.00 O ATOM 0 H TYR A 81 -10.409 -3.219 -8.176 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.579 -6.055 -7.389 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.533 -4.675 -10.102 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.620 -6.409 -9.867 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.451 -3.230 -9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.714 -7.474 -9.465 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.897 -3.086 -9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.161 -7.333 -9.325 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.929 -6.022 -9.139 1.00 0.00 H new ATOM 648 N TYR A 82 -8.308 -6.777 -8.457 1.00 0.00 N ATOM 649 CA TYR A 82 -6.903 -7.126 -8.632 1.00 0.00 C ATOM 650 C TYR A 82 -6.423 -6.767 -10.035 1.00 0.00 C ATOM 651 O TYR A 82 -7.138 -6.962 -11.017 1.00 0.00 O ATOM 652 CB TYR A 82 -6.691 -8.619 -8.375 1.00 0.00 C ATOM 653 CG TYR A 82 -5.317 -9.112 -8.770 1.00 0.00 C ATOM 654 CD1 TYR A 82 -4.181 -8.367 -8.478 1.00 0.00 C ATOM 655 CD2 TYR A 82 -5.155 -10.321 -9.434 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.923 -8.813 -8.837 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.901 -10.776 -9.795 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.789 -10.018 -9.495 1.00 0.00 C ATOM 659 OH TYR A 82 -1.538 -10.466 -9.854 1.00 0.00 O ATOM 0 H TYR A 82 -8.949 -7.568 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.320 -6.553 -7.911 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.851 -8.823 -7.316 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.443 -9.184 -8.926 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.283 -7.424 -7.962 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.024 -10.916 -9.672 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.050 -8.222 -8.604 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.793 -11.720 -10.309 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.618 -11.331 -10.308 1.00 0.00 H new ATOM 669 N SER A 83 -5.205 -6.240 -10.119 1.00 0.00 N ATOM 670 CA SER A 83 -4.629 -5.849 -11.400 1.00 0.00 C ATOM 671 C SER A 83 -3.149 -6.214 -11.464 1.00 0.00 C ATOM 672 O SER A 83 -2.422 -6.080 -10.479 1.00 0.00 O ATOM 673 CB SER A 83 -4.805 -4.346 -11.626 1.00 0.00 C ATOM 674 OG SER A 83 -6.102 -4.053 -12.115 1.00 0.00 O ATOM 0 H SER A 83 -4.599 -6.074 -9.316 1.00 0.00 H new ATOM 0 HA SER A 83 -5.154 -6.391 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.636 -3.812 -10.691 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.057 -3.991 -12.335 1.00 0.00 H new ATOM 0 HG SER A 83 -6.694 -4.817 -11.952 1.00 0.00 H new ATOM 680 N ARG A 84 -2.709 -6.676 -12.630 1.00 0.00 N ATOM 681 CA ARG A 84 -1.317 -7.062 -12.823 1.00 0.00 C ATOM 682 C ARG A 84 -0.501 -5.896 -13.373 1.00 0.00 C ATOM 683 O ARG A 84 0.708 -5.813 -13.154 1.00 0.00 O ATOM 684 CB ARG A 84 -1.223 -8.257 -13.773 1.00 0.00 C ATOM 685 CG ARG A 84 -1.900 -9.511 -13.243 1.00 0.00 C ATOM 686 CD ARG A 84 -3.410 -9.440 -13.405 1.00 0.00 C ATOM 687 NE ARG A 84 -4.041 -10.746 -13.234 1.00 0.00 N ATOM 688 CZ ARG A 84 -5.328 -10.908 -12.947 1.00 0.00 C ATOM 689 NH1 ARG A 84 -6.117 -9.852 -12.802 1.00 0.00 N ATOM 690 NH2 ARG A 84 -5.829 -12.129 -12.806 1.00 0.00 N ATOM 0 H ARG A 84 -3.297 -6.792 -13.455 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.907 -7.345 -11.853 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.673 -7.987 -14.728 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.173 -8.475 -13.966 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.517 -10.384 -13.772 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.652 -9.642 -12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.820 -8.741 -12.676 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.650 -9.048 -14.393 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.462 -11.579 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.736 -8.912 -12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.105 -9.980 -12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.226 -12.944 -12.918 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.817 -12.252 -12.586 1.00 0.00 H new ATOM 704 N SER A 85 -1.169 -4.999 -14.089 1.00 0.00 N ATOM 705 CA SER A 85 -0.506 -3.840 -14.675 1.00 0.00 C ATOM 706 C SER A 85 -0.681 -2.609 -13.791 1.00 0.00 C ATOM 707 O SER A 85 0.290 -1.937 -13.443 1.00 0.00 O ATOM 708 CB SER A 85 -1.061 -3.560 -16.073 1.00 0.00 C ATOM 709 OG SER A 85 -0.707 -4.592 -16.978 1.00 0.00 O ATOM 0 H SER A 85 -2.170 -5.052 -14.278 1.00 0.00 H new ATOM 0 HA SER A 85 0.558 -4.063 -14.752 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.146 -3.470 -16.026 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.677 -2.606 -16.436 1.00 0.00 H new ATOM 0 HG SER A 85 -1.075 -4.391 -17.864 1.00 0.00 H new ATOM 715 N LYS A 86 -1.926 -2.319 -13.430 1.00 0.00 N ATOM 716 CA LYS A 86 -2.231 -1.171 -12.585 1.00 0.00 C ATOM 717 C LYS A 86 -1.624 -1.341 -11.196 1.00 0.00 C ATOM 718 O LYS A 86 -0.642 -0.683 -10.852 1.00 0.00 O ATOM 719 CB LYS A 86 -3.746 -0.983 -12.472 1.00 0.00 C ATOM 720 CG LYS A 86 -4.333 -0.105 -13.564 1.00 0.00 C ATOM 721 CD LYS A 86 -4.375 -0.828 -14.899 1.00 0.00 C ATOM 722 CE LYS A 86 -5.180 -0.050 -15.929 1.00 0.00 C ATOM 723 NZ LYS A 86 -4.810 -0.427 -17.322 1.00 0.00 N ATOM 0 H LYS A 86 -2.741 -2.864 -13.710 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.795 -0.285 -13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.228 -1.960 -12.504 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.978 -0.545 -11.501 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.341 0.201 -13.283 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.739 0.804 -13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.359 -0.976 -15.266 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.813 -1.817 -14.765 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.243 -0.234 -15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.017 1.018 -15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.380 0.125 -17.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.801 -0.228 -17.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.990 -1.441 -17.467 1.00 0.00 H new ATOM 737 N THR A 87 -2.215 -2.228 -10.402 1.00 0.00 N ATOM 738 CA THR A 87 -1.733 -2.485 -9.051 1.00 0.00 C ATOM 739 C THR A 87 -0.258 -2.871 -9.058 1.00 0.00 C ATOM 740 O THR A 87 0.142 -3.827 -9.723 1.00 0.00 O ATOM 741 CB THR A 87 -2.541 -3.604 -8.368 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.941 -3.307 -8.434 1.00 0.00 O ATOM 743 CG2 THR A 87 -2.120 -3.767 -6.916 1.00 0.00 C ATOM 0 H THR A 87 -3.029 -2.781 -10.672 1.00 0.00 H new ATOM 0 HA THR A 87 -1.862 -1.560 -8.489 1.00 0.00 H new ATOM 0 HB THR A 87 -2.343 -4.538 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.079 -2.348 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.705 -4.563 -6.455 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.061 -4.021 -6.871 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.292 -2.833 -6.380 1.00 0.00 H new ATOM 751 N THR A 88 0.549 -2.122 -8.312 1.00 0.00 N ATOM 752 CA THR A 88 1.980 -2.386 -8.233 1.00 0.00 C ATOM 753 C THR A 88 2.297 -3.364 -7.108 1.00 0.00 C ATOM 754 O THR A 88 3.134 -4.254 -7.263 1.00 0.00 O ATOM 755 CB THR A 88 2.779 -1.088 -8.009 1.00 0.00 C ATOM 756 OG1 THR A 88 2.279 -0.397 -6.859 1.00 0.00 O ATOM 757 CG2 THR A 88 2.692 -0.182 -9.229 1.00 0.00 C ATOM 0 H THR A 88 0.235 -1.328 -7.754 1.00 0.00 H new ATOM 0 HA THR A 88 2.274 -2.825 -9.186 1.00 0.00 H new ATOM 0 HB THR A 88 3.824 -1.354 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.577 -0.856 -6.046 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.264 0.728 -9.048 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.100 -0.700 -10.097 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.650 0.076 -9.417 1.00 0.00 H new ATOM 765 N HIS A 89 1.623 -3.195 -5.975 1.00 0.00 N ATOM 766 CA HIS A 89 1.833 -4.065 -4.823 1.00 0.00 C ATOM 767 C HIS A 89 0.519 -4.700 -4.376 1.00 0.00 C ATOM 768 O HIS A 89 -0.561 -4.245 -4.753 1.00 0.00 O ATOM 769 CB HIS A 89 2.451 -3.277 -3.668 1.00 0.00 C ATOM 770 CG HIS A 89 3.722 -2.574 -4.035 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.749 -1.369 -4.705 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.015 -2.913 -3.820 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.003 -0.998 -4.888 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.791 -1.917 -4.360 1.00 0.00 N ATOM 0 H HIS A 89 0.927 -2.464 -5.830 1.00 0.00 H new ATOM 0 HA HIS A 89 2.519 -4.859 -5.118 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.729 -2.542 -3.313 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.648 -3.957 -2.839 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.370 -3.801 -3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.329 -0.096 -5.385 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.811 -1.891 -4.354 1.00 0.00 H new ATOM 782 N ILE A 90 0.621 -5.752 -3.571 1.00 0.00 N ATOM 783 CA ILE A 90 -0.559 -6.449 -3.073 1.00 0.00 C ATOM 784 C ILE A 90 -0.548 -6.529 -1.550 1.00 0.00 C ATOM 785 O ILE A 90 0.161 -7.351 -0.967 1.00 0.00 O ATOM 786 CB ILE A 90 -0.658 -7.873 -3.650 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.882 -7.819 -5.163 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.780 -8.643 -2.971 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.633 -9.139 -5.858 1.00 0.00 C ATOM 0 H ILE A 90 1.508 -6.140 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.426 -5.874 -3.398 1.00 0.00 H new ATOM 0 HB ILE A 90 0.281 -8.393 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.906 -7.502 -5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.226 -7.062 -5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.837 -9.648 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.582 -8.707 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.726 -8.127 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.811 -9.026 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.399 -9.448 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.307 -9.895 -5.456 1.00 0.00 H new ATOM 801 N ILE A 91 -1.338 -5.673 -0.912 1.00 0.00 N ATOM 802 CA ILE A 91 -1.421 -5.650 0.543 1.00 0.00 C ATOM 803 C ILE A 91 -2.302 -6.781 1.062 1.00 0.00 C ATOM 804 O ILE A 91 -3.476 -6.881 0.704 1.00 0.00 O ATOM 805 CB ILE A 91 -1.975 -4.307 1.054 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.037 -3.162 0.666 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.167 -4.352 2.563 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.394 -3.376 1.110 1.00 0.00 C ATOM 0 H ILE A 91 -1.930 -4.986 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.406 -5.782 0.919 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.945 -4.131 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.058 -3.037 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.409 -2.235 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.559 -3.395 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.870 -5.145 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.210 -4.547 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.002 -2.526 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.428 -3.471 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.784 -4.286 0.654 1.00 0.00 H new ATOM 820 N ALA A 92 -1.729 -7.630 1.909 1.00 0.00 N ATOM 821 CA ALA A 92 -2.464 -8.752 2.480 1.00 0.00 C ATOM 822 C ALA A 92 -1.722 -9.342 3.674 1.00 0.00 C ATOM 823 O ALA A 92 -0.522 -9.611 3.603 1.00 0.00 O ATOM 824 CB ALA A 92 -2.702 -9.820 1.423 1.00 0.00 C ATOM 0 H ALA A 92 -0.758 -7.562 2.215 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.428 -8.383 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.252 -10.652 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.281 -9.397 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.744 -10.178 1.045 1.00 0.00 H new ATOM 830 N THR A 93 -2.443 -9.543 4.773 1.00 0.00 N ATOM 831 CA THR A 93 -1.852 -10.100 5.984 1.00 0.00 C ATOM 832 C THR A 93 -1.430 -11.549 5.772 1.00 0.00 C ATOM 833 O THR A 93 -0.273 -11.906 5.990 1.00 0.00 O ATOM 834 CB THR A 93 -2.832 -10.030 7.170 1.00 0.00 C ATOM 835 OG1 THR A 93 -4.181 -10.104 6.696 1.00 0.00 O ATOM 836 CG2 THR A 93 -2.637 -8.744 7.959 1.00 0.00 C ATOM 0 H THR A 93 -3.437 -9.328 4.849 1.00 0.00 H new ATOM 0 HA THR A 93 -0.973 -9.498 6.213 1.00 0.00 H new ATOM 0 HB THR A 93 -2.631 -10.875 7.828 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.731 -9.445 7.169 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.340 -8.718 8.791 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.618 -8.704 8.344 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.813 -7.888 7.308 1.00 0.00 H new ATOM 844 N ASN A 94 -2.376 -12.380 5.347 1.00 0.00 N ATOM 845 CA ASN A 94 -2.101 -13.792 5.106 1.00 0.00 C ATOM 846 C ASN A 94 -2.978 -14.333 3.980 1.00 0.00 C ATOM 847 O ASN A 94 -4.137 -13.940 3.838 1.00 0.00 O ATOM 848 CB ASN A 94 -2.333 -14.603 6.382 1.00 0.00 C ATOM 849 CG ASN A 94 -3.759 -15.106 6.497 1.00 0.00 C ATOM 850 OD1 ASN A 94 -4.040 -16.275 6.234 1.00 0.00 O ATOM 851 ND2 ASN A 94 -4.668 -14.221 6.892 1.00 0.00 N ATOM 0 H ASN A 94 -3.339 -12.100 5.162 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.057 -13.887 4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.649 -15.451 6.399 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.097 -13.986 7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.644 -14.501 6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -4.390 -13.262 7.099 1.00 0.00 H new ATOM 858 N LEU A 95 -2.418 -15.235 3.183 1.00 0.00 N ATOM 859 CA LEU A 95 -3.148 -15.831 2.070 1.00 0.00 C ATOM 860 C LEU A 95 -3.014 -17.351 2.081 1.00 0.00 C ATOM 861 O LEU A 95 -2.006 -17.906 2.520 1.00 0.00 O ATOM 862 CB LEU A 95 -2.636 -15.273 0.741 1.00 0.00 C ATOM 863 CG LEU A 95 -2.579 -13.749 0.630 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.661 -13.330 -0.507 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.974 -13.176 0.431 1.00 0.00 C ATOM 0 H LEU A 95 -1.460 -15.570 3.287 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.202 -15.577 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.635 -15.668 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.273 -15.652 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.174 -13.351 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.633 -12.242 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.656 -13.708 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.035 -13.739 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.914 -12.090 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.407 -13.581 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.602 -13.445 1.280 1.00 0.00 H new ATOM 877 N PRO A 96 -4.053 -18.041 1.587 1.00 0.00 N ATOM 878 CA PRO A 96 -4.074 -19.505 1.527 1.00 0.00 C ATOM 879 C PRO A 96 -3.091 -20.057 0.499 1.00 0.00 C ATOM 880 O PRO A 96 -2.627 -19.334 -0.380 1.00 0.00 O ATOM 881 CB PRO A 96 -5.513 -19.823 1.115 1.00 0.00 C ATOM 882 CG PRO A 96 -5.977 -18.606 0.390 1.00 0.00 C ATOM 883 CD PRO A 96 -5.286 -17.444 1.048 1.00 0.00 C ATOM 0 HA PRO A 96 -3.778 -19.956 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.556 -20.705 0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.138 -20.028 1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.724 -18.662 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.060 -18.503 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.069 -16.649 0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.898 -17.006 1.836 1.00 0.00 H new ATOM 891 N ASN A 97 -2.780 -21.344 0.617 1.00 0.00 N ATOM 892 CA ASN A 97 -1.853 -21.993 -0.302 1.00 0.00 C ATOM 893 C ASN A 97 -2.385 -21.951 -1.732 1.00 0.00 C ATOM 894 O ASN A 97 -1.615 -21.914 -2.691 1.00 0.00 O ATOM 895 CB ASN A 97 -1.613 -23.443 0.122 1.00 0.00 C ATOM 896 CG ASN A 97 -2.887 -24.265 0.120 1.00 0.00 C ATOM 897 OD1 ASN A 97 -3.733 -24.121 1.002 1.00 0.00 O ATOM 898 ND2 ASN A 97 -3.030 -25.134 -0.875 1.00 0.00 N ATOM 0 H ASN A 97 -3.156 -21.957 1.340 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.908 -21.450 -0.269 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.888 -23.900 -0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.175 -23.459 1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.867 -25.715 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.303 -25.220 -1.585 1.00 0.00 H new ATOM 905 N ALA A 98 -3.707 -21.957 -1.866 1.00 0.00 N ATOM 906 CA ALA A 98 -4.342 -21.917 -3.177 1.00 0.00 C ATOM 907 C ALA A 98 -4.216 -20.534 -3.806 1.00 0.00 C ATOM 908 O ALA A 98 -4.422 -20.366 -5.008 1.00 0.00 O ATOM 909 CB ALA A 98 -5.806 -22.317 -3.066 1.00 0.00 C ATOM 0 H ALA A 98 -4.359 -21.989 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.830 -22.629 -3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.268 -22.283 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.877 -23.329 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.322 -21.626 -2.399 1.00 0.00 H new ATOM 915 N LYS A 99 -3.876 -19.545 -2.986 1.00 0.00 N ATOM 916 CA LYS A 99 -3.721 -18.175 -3.462 1.00 0.00 C ATOM 917 C LYS A 99 -2.277 -17.902 -3.872 1.00 0.00 C ATOM 918 O LYS A 99 -2.021 -17.336 -4.935 1.00 0.00 O ATOM 919 CB LYS A 99 -4.151 -17.185 -2.377 1.00 0.00 C ATOM 920 CG LYS A 99 -5.621 -16.810 -2.444 1.00 0.00 C ATOM 921 CD LYS A 99 -5.926 -15.966 -3.670 1.00 0.00 C ATOM 922 CE LYS A 99 -7.345 -16.197 -4.167 1.00 0.00 C ATOM 923 NZ LYS A 99 -7.531 -17.578 -4.691 1.00 0.00 N ATOM 0 H LYS A 99 -3.702 -19.667 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.359 -18.046 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.939 -17.616 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.550 -16.280 -2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.228 -17.715 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.899 -16.260 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.791 -14.911 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.218 -16.206 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.048 -16.020 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.577 -15.477 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.300 -17.583 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.651 -17.900 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.772 -18.217 -3.907 1.00 0.00 H new ATOM 937 N ILE A 100 -1.339 -18.308 -3.023 1.00 0.00 N ATOM 938 CA ILE A 100 0.078 -18.108 -3.299 1.00 0.00 C ATOM 939 C ILE A 100 0.458 -18.674 -4.663 1.00 0.00 C ATOM 940 O ILE A 100 1.503 -18.337 -5.219 1.00 0.00 O ATOM 941 CB ILE A 100 0.960 -18.764 -2.220 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.629 -18.189 -0.841 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.432 -18.563 -2.544 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.937 -19.136 0.298 1.00 0.00 C ATOM 0 H ILE A 100 -1.535 -18.777 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 100 0.251 -17.032 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 100 0.755 -19.834 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.190 -17.266 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.429 -17.927 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.042 -19.032 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.657 -19.016 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.654 -17.496 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.678 -18.663 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.356 -20.050 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.000 -19.378 0.293 1.00 0.00 H new ATOM 956 N LYS A 101 -0.400 -19.536 -5.199 1.00 0.00 N ATOM 957 CA LYS A 101 -0.158 -20.148 -6.500 1.00 0.00 C ATOM 958 C LYS A 101 -0.635 -19.238 -7.627 1.00 0.00 C ATOM 959 O LYS A 101 -0.061 -19.229 -8.715 1.00 0.00 O ATOM 960 CB LYS A 101 -0.865 -21.502 -6.589 1.00 0.00 C ATOM 961 CG LYS A 101 -2.316 -21.461 -6.140 1.00 0.00 C ATOM 962 CD LYS A 101 -3.074 -22.698 -6.590 1.00 0.00 C ATOM 963 CE LYS A 101 -3.450 -22.616 -8.062 1.00 0.00 C ATOM 964 NZ LYS A 101 -3.953 -23.919 -8.579 1.00 0.00 N ATOM 0 H LYS A 101 -1.270 -19.826 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 101 0.916 -20.298 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.822 -21.858 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.325 -22.225 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.360 -21.382 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.798 -20.571 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.462 -23.584 -6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.976 -22.812 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.214 -21.851 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.581 -22.306 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.199 -23.822 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.215 -24.644 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.797 -24.203 -8.042 1.00 0.00 H new ATOM 978 N GLU A 102 -1.688 -18.472 -7.357 1.00 0.00 N ATOM 979 CA GLU A 102 -2.241 -17.557 -8.349 1.00 0.00 C ATOM 980 C GLU A 102 -1.525 -16.210 -8.306 1.00 0.00 C ATOM 981 O GLU A 102 -1.552 -15.449 -9.274 1.00 0.00 O ATOM 982 CB GLU A 102 -3.739 -17.359 -8.113 1.00 0.00 C ATOM 983 CG GLU A 102 -4.061 -16.201 -7.183 1.00 0.00 C ATOM 984 CD GLU A 102 -5.550 -15.933 -7.080 1.00 0.00 C ATOM 985 OE1 GLU A 102 -6.337 -16.729 -7.632 1.00 0.00 O ATOM 986 OE2 GLU A 102 -5.928 -14.925 -6.446 1.00 0.00 O ATOM 0 H GLU A 102 -2.175 -18.467 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.091 -17.997 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.230 -17.192 -9.072 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.157 -18.276 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.665 -16.416 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.558 -15.302 -7.540 1.00 0.00 H new ATOM 993 N LEU A 103 -0.887 -15.922 -7.177 1.00 0.00 N ATOM 994 CA LEU A 103 -0.165 -14.666 -7.006 1.00 0.00 C ATOM 995 C LEU A 103 1.343 -14.897 -7.039 1.00 0.00 C ATOM 996 O LEU A 103 2.104 -14.199 -6.369 1.00 0.00 O ATOM 997 CB LEU A 103 -0.561 -14.003 -5.686 1.00 0.00 C ATOM 998 CG LEU A 103 -2.053 -13.724 -5.496 1.00 0.00 C ATOM 999 CD1 LEU A 103 -2.412 -13.723 -4.018 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.434 -12.400 -6.141 1.00 0.00 C ATOM 0 H LEU A 103 -0.855 -16.541 -6.367 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.432 -14.006 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.224 -14.639 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.022 -13.060 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.617 -14.518 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.477 -13.523 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.177 -14.696 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.840 -12.950 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.499 -12.218 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.862 -11.594 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.214 -12.439 -7.208 1.00 0.00 H new ATOM 1012 N LYS A 104 1.768 -15.880 -7.825 1.00 0.00 N ATOM 1013 CA LYS A 104 3.185 -16.201 -7.950 1.00 0.00 C ATOM 1014 C LYS A 104 3.965 -15.015 -8.507 1.00 0.00 C ATOM 1015 O LYS A 104 3.460 -14.263 -9.340 1.00 0.00 O ATOM 1016 CB LYS A 104 3.375 -17.420 -8.856 1.00 0.00 C ATOM 1017 CG LYS A 104 3.149 -17.125 -10.328 1.00 0.00 C ATOM 1018 CD LYS A 104 4.019 -18.003 -11.213 1.00 0.00 C ATOM 1019 CE LYS A 104 4.287 -17.346 -12.558 1.00 0.00 C ATOM 1020 NZ LYS A 104 5.394 -18.018 -13.293 1.00 0.00 N ATOM 0 H LYS A 104 1.151 -16.468 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 104 3.568 -16.431 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.385 -17.807 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.688 -18.206 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.099 -17.285 -10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.367 -16.076 -10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.965 -18.204 -10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.529 -18.964 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.380 -17.374 -13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.537 -16.296 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.546 -17.541 -14.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.266 -17.970 -12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.145 -19.014 -13.461 1.00 0.00 H new ATOM 1034 N GLY A 105 5.201 -14.854 -8.043 1.00 0.00 N ATOM 1035 CA GLY A 105 6.031 -13.757 -8.507 1.00 0.00 C ATOM 1036 C GLY A 105 5.649 -12.433 -7.876 1.00 0.00 C ATOM 1037 O GLY A 105 6.517 -11.653 -7.484 1.00 0.00 O ATOM 0 H GLY A 105 5.642 -15.463 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.075 -13.975 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.949 -13.676 -9.591 1.00 0.00 H new ATOM 1041 N GLU A 106 4.348 -12.179 -7.778 1.00 0.00 N ATOM 1042 CA GLU A 106 3.855 -10.938 -7.191 1.00 0.00 C ATOM 1043 C GLU A 106 4.662 -10.565 -5.951 1.00 0.00 C ATOM 1044 O GLU A 106 5.380 -11.393 -5.391 1.00 0.00 O ATOM 1045 CB GLU A 106 2.374 -11.073 -6.829 1.00 0.00 C ATOM 1046 CG GLU A 106 1.449 -11.054 -8.034 1.00 0.00 C ATOM 1047 CD GLU A 106 1.928 -11.961 -9.151 1.00 0.00 C ATOM 1048 OE1 GLU A 106 2.851 -11.558 -9.888 1.00 0.00 O ATOM 1049 OE2 GLU A 106 1.378 -13.074 -9.287 1.00 0.00 O ATOM 0 H GLU A 106 3.617 -12.815 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 106 3.970 -10.145 -7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.226 -12.004 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.098 -10.261 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.450 -11.361 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.368 -10.034 -8.409 1.00 0.00 H new ATOM 1056 N LYS A 107 4.538 -9.311 -5.528 1.00 0.00 N ATOM 1057 CA LYS A 107 5.253 -8.825 -4.354 1.00 0.00 C ATOM 1058 C LYS A 107 4.282 -8.472 -3.232 1.00 0.00 C ATOM 1059 O LYS A 107 3.809 -7.338 -3.141 1.00 0.00 O ATOM 1060 CB LYS A 107 6.098 -7.602 -4.716 1.00 0.00 C ATOM 1061 CG LYS A 107 7.252 -7.915 -5.653 1.00 0.00 C ATOM 1062 CD LYS A 107 8.425 -6.977 -5.426 1.00 0.00 C ATOM 1063 CE LYS A 107 9.237 -6.783 -6.698 1.00 0.00 C ATOM 1064 NZ LYS A 107 10.053 -7.985 -7.023 1.00 0.00 N ATOM 0 H LYS A 107 3.949 -8.613 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 107 5.910 -9.622 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.457 -6.853 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.493 -7.160 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.575 -8.945 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.915 -7.834 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.058 -6.012 -5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.066 -7.378 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.565 -6.565 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.892 -5.920 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.592 -7.813 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.712 -8.179 -6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.426 -8.804 -7.158 1.00 0.00 H new ATOM 1078 N VAL A 108 3.989 -9.448 -2.379 1.00 0.00 N ATOM 1079 CA VAL A 108 3.076 -9.238 -1.262 1.00 0.00 C ATOM 1080 C VAL A 108 3.743 -8.437 -0.150 1.00 0.00 C ATOM 1081 O VAL A 108 4.847 -8.763 0.288 1.00 0.00 O ATOM 1082 CB VAL A 108 2.577 -10.577 -0.686 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.381 -10.353 0.226 1.00 0.00 C ATOM 1084 CG2 VAL A 108 2.228 -11.542 -1.809 1.00 0.00 C ATOM 0 H VAL A 108 4.371 -10.392 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 108 2.225 -8.677 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 108 3.378 -11.019 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.042 -11.310 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.669 -9.699 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.573 -9.889 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.877 -12.483 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.444 -11.109 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.113 -11.726 -2.418 1.00 0.00 H new ATOM 1094 N ILE A 109 3.066 -7.387 0.303 1.00 0.00 N ATOM 1095 CA ILE A 109 3.593 -6.540 1.366 1.00 0.00 C ATOM 1096 C ILE A 109 2.564 -6.343 2.473 1.00 0.00 C ATOM 1097 O ILE A 109 1.381 -6.130 2.205 1.00 0.00 O ATOM 1098 CB ILE A 109 4.020 -5.161 0.827 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.745 -5.315 -0.511 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.907 -4.449 1.838 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.025 -6.115 -0.417 1.00 0.00 C ATOM 0 H ILE A 109 2.152 -7.103 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 109 4.467 -7.050 1.772 1.00 0.00 H new ATOM 0 HB ILE A 109 3.127 -4.557 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.076 -5.798 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.973 -4.326 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.201 -3.476 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.359 -4.312 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.798 -5.048 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.485 -6.183 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.712 -5.622 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.802 -7.117 -0.051 1.00 0.00 H new ATOM 1113 N ARG A 110 3.022 -6.416 3.719 1.00 0.00 N ATOM 1114 CA ARG A 110 2.141 -6.245 4.868 1.00 0.00 C ATOM 1115 C ARG A 110 1.606 -4.818 4.936 1.00 0.00 C ATOM 1116 O ARG A 110 2.217 -3.875 4.432 1.00 0.00 O ATOM 1117 CB ARG A 110 2.884 -6.585 6.162 1.00 0.00 C ATOM 1118 CG ARG A 110 3.096 -8.076 6.368 1.00 0.00 C ATOM 1119 CD ARG A 110 3.716 -8.367 7.726 1.00 0.00 C ATOM 1120 NE ARG A 110 5.176 -8.355 7.675 1.00 0.00 N ATOM 1121 CZ ARG A 110 5.949 -8.842 8.639 1.00 0.00 C ATOM 1122 NH1 ARG A 110 5.404 -9.378 9.723 1.00 0.00 N ATOM 1123 NH2 ARG A 110 7.270 -8.795 8.520 1.00 0.00 N ATOM 0 H ARG A 110 3.998 -6.592 3.958 1.00 0.00 H new ATOM 0 HA ARG A 110 1.297 -6.925 4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.853 -6.086 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.325 -6.186 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.142 -8.596 6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.742 -8.465 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.372 -7.626 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.374 -9.339 8.080 1.00 0.00 H new ATOM 0 HE ARG A 110 5.626 -7.950 6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.389 -9.417 9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.000 -9.751 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.693 -8.384 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.862 -9.169 9.261 1.00 0.00 H new ATOM 1137 N PRO A 111 0.437 -4.654 5.574 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.206 -3.345 5.723 1.00 0.00 C ATOM 1139 C PRO A 111 0.555 -2.430 6.677 1.00 0.00 C ATOM 1140 O PRO A 111 0.219 -1.256 6.824 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.582 -3.689 6.297 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.388 -4.993 6.991 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.346 -5.733 6.199 1.00 0.00 C ATOM 0 HA PRO A 111 -0.246 -2.801 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -1.926 -2.920 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.331 -3.767 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.062 -4.843 8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.320 -5.556 7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.274 -6.361 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.798 -6.386 5.452 1.00 0.00 H new ATOM 1151 N GLU A 112 1.582 -2.977 7.321 1.00 0.00 N ATOM 1152 CA GLU A 112 2.390 -2.208 8.260 1.00 0.00 C ATOM 1153 C GLU A 112 3.431 -1.371 7.524 1.00 0.00 C ATOM 1154 O GLU A 112 3.881 -0.340 8.025 1.00 0.00 O ATOM 1155 CB GLU A 112 3.081 -3.143 9.256 1.00 0.00 C ATOM 1156 CG GLU A 112 2.188 -3.575 10.406 1.00 0.00 C ATOM 1157 CD GLU A 112 2.158 -2.562 11.534 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.240 -2.084 11.932 1.00 0.00 O ATOM 1159 OE2 GLU A 112 1.050 -2.248 12.019 1.00 0.00 O ATOM 0 H GLU A 112 1.873 -3.948 7.210 1.00 0.00 H new ATOM 0 HA GLU A 112 1.728 -1.535 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.431 -4.029 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.962 -2.643 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.175 -3.731 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.537 -4.533 10.792 1.00 0.00 H new ATOM 1166 N TRP A 113 3.810 -1.821 6.334 1.00 0.00 N ATOM 1167 CA TRP A 113 4.799 -1.114 5.528 1.00 0.00 C ATOM 1168 C TRP A 113 4.343 0.310 5.234 1.00 0.00 C ATOM 1169 O TRP A 113 5.154 1.237 5.201 1.00 0.00 O ATOM 1170 CB TRP A 113 5.051 -1.864 4.219 1.00 0.00 C ATOM 1171 CG TRP A 113 5.872 -1.084 3.237 1.00 0.00 C ATOM 1172 CD1 TRP A 113 7.155 -0.647 3.405 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.465 -0.648 1.935 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.570 0.034 2.287 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.552 0.047 1.370 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.289 -0.779 1.191 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.495 0.609 0.098 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.234 -0.220 -0.071 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.331 0.466 -0.608 1.00 0.00 C ATOM 0 H TRP A 113 3.448 -2.673 5.905 1.00 0.00 H new ATOM 0 HA TRP A 113 5.728 -1.068 6.096 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.557 -2.804 4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.094 -2.116 3.763 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.755 -0.813 4.288 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.488 0.461 2.160 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.439 -1.308 1.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.339 1.139 -0.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.330 -0.313 -0.654 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.257 0.890 -1.598 1.00 0.00 H new ATOM 1190 N ILE A 114 3.043 0.479 5.020 1.00 0.00 N ATOM 1191 CA ILE A 114 2.481 1.792 4.730 1.00 0.00 C ATOM 1192 C ILE A 114 2.092 2.519 6.012 1.00 0.00 C ATOM 1193 O ILE A 114 2.576 3.617 6.287 1.00 0.00 O ATOM 1194 CB ILE A 114 1.244 1.685 3.818 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.598 0.947 2.526 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.693 3.069 3.509 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.403 0.674 1.639 1.00 0.00 C ATOM 0 H ILE A 114 2.359 -0.277 5.042 1.00 0.00 H new ATOM 0 HA ILE A 114 3.255 2.360 4.214 1.00 0.00 H new ATOM 0 HB ILE A 114 0.474 1.116 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.327 1.536 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.077 0.001 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.181 2.977 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.408 3.563 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.457 3.660 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.729 0.148 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.318 0.059 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.064 1.618 1.357 1.00 0.00 H new ATOM 1209 N VAL A 115 1.214 1.899 6.795 1.00 0.00 N ATOM 1210 CA VAL A 115 0.762 2.486 8.051 1.00 0.00 C ATOM 1211 C VAL A 115 1.912 3.165 8.786 1.00 0.00 C ATOM 1212 O VAL A 115 1.749 4.248 9.348 1.00 0.00 O ATOM 1213 CB VAL A 115 0.135 1.423 8.973 1.00 0.00 C ATOM 1214 CG1 VAL A 115 1.208 0.734 9.802 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.921 2.053 9.870 1.00 0.00 C ATOM 0 H VAL A 115 0.802 0.991 6.582 1.00 0.00 H new ATOM 0 HA VAL A 115 0.006 3.230 7.799 1.00 0.00 H new ATOM 0 HB VAL A 115 -0.350 0.669 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.746 -0.013 10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.924 0.248 9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 115 1.724 1.473 10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.354 1.288 10.515 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -0.462 2.828 10.484 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.705 2.495 9.255 1.00 0.00 H new ATOM 1225 N GLU A 116 3.075 2.522 8.776 1.00 0.00 N ATOM 1226 CA GLU A 116 4.253 3.065 9.443 1.00 0.00 C ATOM 1227 C GLU A 116 4.853 4.214 8.637 1.00 0.00 C ATOM 1228 O GLU A 116 5.256 5.234 9.196 1.00 0.00 O ATOM 1229 CB GLU A 116 5.302 1.969 9.647 1.00 0.00 C ATOM 1230 CG GLU A 116 4.936 0.972 10.734 1.00 0.00 C ATOM 1231 CD GLU A 116 5.410 1.406 12.107 1.00 0.00 C ATOM 1232 OE1 GLU A 116 6.428 2.127 12.183 1.00 0.00 O ATOM 1233 OE2 GLU A 116 4.765 1.026 13.106 1.00 0.00 O ATOM 0 H GLU A 116 3.227 1.625 8.314 1.00 0.00 H new ATOM 0 HA GLU A 116 3.944 3.448 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.444 1.434 8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.256 2.433 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.854 0.841 10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.371 0.002 10.493 1.00 0.00 H new ATOM 1240 N SER A 117 4.909 4.040 7.321 1.00 0.00 N ATOM 1241 CA SER A 117 5.463 5.060 6.438 1.00 0.00 C ATOM 1242 C SER A 117 4.783 6.406 6.668 1.00 0.00 C ATOM 1243 O SER A 117 5.429 7.454 6.634 1.00 0.00 O ATOM 1244 CB SER A 117 5.304 4.639 4.975 1.00 0.00 C ATOM 1245 OG SER A 117 6.186 3.579 4.651 1.00 0.00 O ATOM 0 H SER A 117 4.578 3.202 6.842 1.00 0.00 H new ATOM 0 HA SER A 117 6.524 5.165 6.666 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.275 4.329 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.500 5.491 4.325 1.00 0.00 H new ATOM 0 HG SER A 117 5.706 2.726 4.706 1.00 0.00 H new ATOM 1251 N ILE A 118 3.476 6.369 6.904 1.00 0.00 N ATOM 1252 CA ILE A 118 2.708 7.585 7.141 1.00 0.00 C ATOM 1253 C ILE A 118 3.052 8.196 8.496 1.00 0.00 C ATOM 1254 O ILE A 118 3.465 9.353 8.580 1.00 0.00 O ATOM 1255 CB ILE A 118 1.193 7.315 7.082 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.810 6.729 5.722 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.416 8.595 7.352 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.426 5.859 5.765 1.00 0.00 C ATOM 0 H ILE A 118 2.927 5.510 6.936 1.00 0.00 H new ATOM 0 HA ILE A 118 2.974 8.286 6.350 1.00 0.00 H new ATOM 0 HB ILE A 118 0.938 6.589 7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.646 7.544 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.645 6.141 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.653 8.388 7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.671 8.973 8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.673 9.342 6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.638 5.478 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.259 5.023 6.444 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.273 6.448 6.116 1.00 0.00 H new ATOM 1270 N LYS A 119 2.879 7.411 9.554 1.00 0.00 N ATOM 1271 CA LYS A 119 3.174 7.873 10.905 1.00 0.00 C ATOM 1272 C LYS A 119 4.565 8.493 10.977 1.00 0.00 C ATOM 1273 O LYS A 119 4.822 9.370 11.801 1.00 0.00 O ATOM 1274 CB LYS A 119 3.069 6.711 11.897 1.00 0.00 C ATOM 1275 CG LYS A 119 1.640 6.348 12.260 1.00 0.00 C ATOM 1276 CD LYS A 119 1.509 4.873 12.600 1.00 0.00 C ATOM 1277 CE LYS A 119 2.207 4.538 13.908 1.00 0.00 C ATOM 1278 NZ LYS A 119 1.377 4.903 15.090 1.00 0.00 N ATOM 0 H LYS A 119 2.536 6.452 9.502 1.00 0.00 H new ATOM 0 HA LYS A 119 2.442 8.636 11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.560 5.836 11.472 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.611 6.971 12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.316 6.948 13.110 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.979 6.591 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.454 4.607 12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.935 4.274 11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.431 3.472 13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.160 5.065 13.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.888 4.659 15.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.184 5.925 15.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.478 4.381 15.058 1.00 0.00 H new ATOM 1292 N ALA A 120 5.459 8.033 10.108 1.00 0.00 N ATOM 1293 CA ALA A 120 6.823 8.545 10.072 1.00 0.00 C ATOM 1294 C ALA A 120 6.938 9.735 9.124 1.00 0.00 C ATOM 1295 O ALA A 120 7.842 10.559 9.253 1.00 0.00 O ATOM 1296 CB ALA A 120 7.790 7.445 9.660 1.00 0.00 C ATOM 0 H ALA A 120 5.263 7.307 9.419 1.00 0.00 H new ATOM 0 HA ALA A 120 7.083 8.885 11.074 1.00 0.00 H new ATOM 0 HB1 ALA A 120 8.805 7.842 9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.737 6.626 10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.522 7.077 8.669 1.00 0.00 H new ATOM 1302 N GLY A 121 6.014 9.817 8.171 1.00 0.00 N ATOM 1303 CA GLY A 121 6.030 10.909 7.215 1.00 0.00 C ATOM 1304 C GLY A 121 6.978 10.654 6.060 1.00 0.00 C ATOM 1305 O GLY A 121 7.293 11.565 5.294 1.00 0.00 O ATOM 0 H GLY A 121 5.255 9.147 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.023 11.063 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.320 11.829 7.723 1.00 0.00 H new ATOM 1309 N ARG A 122 7.436 9.413 5.935 1.00 0.00 N ATOM 1310 CA ARG A 122 8.356 9.042 4.867 1.00 0.00 C ATOM 1311 C ARG A 122 8.130 7.597 4.432 1.00 0.00 C ATOM 1312 O ARG A 122 7.460 6.827 5.121 1.00 0.00 O ATOM 1313 CB ARG A 122 9.804 9.227 5.325 1.00 0.00 C ATOM 1314 CG ARG A 122 10.216 8.280 6.441 1.00 0.00 C ATOM 1315 CD ARG A 122 11.709 8.361 6.717 1.00 0.00 C ATOM 1316 NE ARG A 122 12.118 9.702 7.125 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.378 10.041 7.380 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.345 9.141 7.269 1.00 0.00 N ATOM 1319 NH2 ARG A 122 13.671 11.282 7.746 1.00 0.00 N ATOM 0 H ARG A 122 7.185 8.647 6.560 1.00 0.00 H new ATOM 0 HA ARG A 122 8.165 9.694 4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.467 9.081 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 122 9.941 10.254 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.663 8.523 7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.950 7.258 6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 122 11.972 7.648 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.259 8.071 5.822 1.00 0.00 H new ATOM 0 HE ARG A 122 11.398 10.418 7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.123 8.186 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.311 9.403 7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 122 12.929 11.977 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.638 11.541 7.941 1.00 0.00 H new ATOM 1333 N LEU A 123 8.693 7.235 3.284 1.00 0.00 N ATOM 1334 CA LEU A 123 8.553 5.882 2.756 1.00 0.00 C ATOM 1335 C LEU A 123 9.595 4.950 3.364 1.00 0.00 C ATOM 1336 O LEU A 123 10.743 5.340 3.579 1.00 0.00 O ATOM 1337 CB LEU A 123 8.688 5.892 1.232 1.00 0.00 C ATOM 1338 CG LEU A 123 8.219 4.629 0.509 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.709 4.479 0.621 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.647 4.661 -0.951 1.00 0.00 C ATOM 0 H LEU A 123 9.251 7.859 2.701 1.00 0.00 H new ATOM 0 HA LEU A 123 7.563 5.514 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.124 6.740 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.735 6.063 0.981 1.00 0.00 H new ATOM 0 HG LEU A 123 8.685 3.766 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.394 3.575 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.427 4.410 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.223 5.345 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.305 3.755 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.209 5.532 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.734 4.720 -1.010 1.00 0.00 H new ATOM 1352 N LEU A 124 9.189 3.715 3.637 1.00 0.00 N ATOM 1353 CA LEU A 124 10.088 2.724 4.219 1.00 0.00 C ATOM 1354 C LEU A 124 10.341 1.579 3.243 1.00 0.00 C ATOM 1355 O LEU A 124 9.847 1.590 2.116 1.00 0.00 O ATOM 1356 CB LEU A 124 9.503 2.178 5.522 1.00 0.00 C ATOM 1357 CG LEU A 124 9.191 3.214 6.603 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.118 2.693 7.547 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.451 3.577 7.374 1.00 0.00 C ATOM 0 H LEU A 124 8.243 3.376 3.465 1.00 0.00 H new ATOM 0 HA LEU A 124 11.039 3.213 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.585 1.639 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.203 1.451 5.935 1.00 0.00 H new ATOM 0 HG LEU A 124 8.814 4.115 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.909 3.443 8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.208 2.484 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.467 1.778 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.210 4.315 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 124 10.858 2.684 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.190 3.993 6.689 1.00 0.00 H new ATOM 1371 N SER A 125 11.113 0.592 3.685 1.00 0.00 N ATOM 1372 CA SER A 125 11.434 -0.560 2.850 1.00 0.00 C ATOM 1373 C SER A 125 10.441 -1.694 3.085 1.00 0.00 C ATOM 1374 O SER A 125 9.979 -1.908 4.207 1.00 0.00 O ATOM 1375 CB SER A 125 12.856 -1.045 3.137 1.00 0.00 C ATOM 1376 OG SER A 125 13.803 -0.341 2.351 1.00 0.00 O ATOM 0 H SER A 125 11.528 0.567 4.616 1.00 0.00 H new ATOM 0 HA SER A 125 11.367 -0.251 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.083 -0.909 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.928 -2.113 2.930 1.00 0.00 H new ATOM 0 HG SER A 125 14.704 -0.668 2.554 1.00 0.00 H new ATOM 1382 N TYR A 126 10.117 -2.419 2.020 1.00 0.00 N ATOM 1383 CA TYR A 126 9.177 -3.530 2.109 1.00 0.00 C ATOM 1384 C TYR A 126 9.911 -4.847 2.339 1.00 0.00 C ATOM 1385 O TYR A 126 9.317 -5.833 2.777 1.00 0.00 O ATOM 1386 CB TYR A 126 8.337 -3.618 0.833 1.00 0.00 C ATOM 1387 CG TYR A 126 9.153 -3.879 -0.412 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.502 -5.173 -0.780 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.577 -2.832 -1.221 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.248 -5.416 -1.917 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.322 -3.066 -2.361 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.655 -4.359 -2.704 1.00 0.00 C ATOM 1393 OH TYR A 126 11.398 -4.596 -3.838 1.00 0.00 O ATOM 0 H TYR A 126 10.491 -2.257 1.085 1.00 0.00 H new ATOM 0 HA TYR A 126 8.518 -3.348 2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.600 -4.413 0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 126 7.785 -2.687 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.184 -6.003 -0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.320 -1.818 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.511 -6.428 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.642 -2.241 -2.980 1.00 0.00 H new ATOM 0 HH TYR A 126 11.602 -3.745 -4.279 1.00 0.00 H new ATOM 1403 N ILE A 127 11.206 -4.855 2.041 1.00 0.00 N ATOM 1404 CA ILE A 127 12.023 -6.050 2.217 1.00 0.00 C ATOM 1405 C ILE A 127 11.587 -6.837 3.449 1.00 0.00 C ATOM 1406 O ILE A 127 11.216 -8.008 3.368 1.00 0.00 O ATOM 1407 CB ILE A 127 13.516 -5.697 2.350 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.188 -5.703 0.975 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.210 -6.672 3.289 1.00 0.00 C ATOM 1410 CD1 ILE A 127 14.200 -7.063 0.315 1.00 0.00 C ATOM 0 H ILE A 127 11.712 -4.048 1.677 1.00 0.00 H new ATOM 0 HA ILE A 127 11.881 -6.663 1.327 1.00 0.00 H new ATOM 0 HB ILE A 127 13.601 -4.695 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.672 -4.997 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.214 -5.350 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.264 -6.409 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.745 -6.623 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.119 -7.684 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.691 -6.992 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.741 -7.769 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.176 -7.410 0.179 1.00 0.00 H new ATOM 1422 N PRO A 128 11.631 -6.180 4.617 1.00 0.00 N ATOM 1423 CA PRO A 128 11.242 -6.798 5.888 1.00 0.00 C ATOM 1424 C PRO A 128 9.740 -7.051 5.974 1.00 0.00 C ATOM 1425 O PRO A 128 9.301 -8.056 6.533 1.00 0.00 O ATOM 1426 CB PRO A 128 11.671 -5.764 6.932 1.00 0.00 C ATOM 1427 CG PRO A 128 11.665 -4.465 6.202 1.00 0.00 C ATOM 1428 CD PRO A 128 12.063 -4.783 4.788 1.00 0.00 C ATOM 0 HA PRO A 128 11.703 -7.776 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.983 -5.746 7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.660 -5.990 7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 128 10.678 -4.003 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.362 -3.760 6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.573 -4.121 4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.137 -4.674 4.639 1.00 0.00 H new ATOM 1436 N TYR A 129 8.958 -6.133 5.418 1.00 0.00 N ATOM 1437 CA TYR A 129 7.505 -6.255 5.434 1.00 0.00 C ATOM 1438 C TYR A 129 7.021 -7.152 4.298 1.00 0.00 C ATOM 1439 O TYR A 129 5.819 -7.311 4.088 1.00 0.00 O ATOM 1440 CB TYR A 129 6.855 -4.875 5.321 1.00 0.00 C ATOM 1441 CG TYR A 129 7.000 -4.034 6.569 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.333 -4.371 7.740 1.00 0.00 C ATOM 1443 CD2 TYR A 129 7.806 -2.901 6.577 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.463 -3.605 8.882 1.00 0.00 C ATOM 1445 CE2 TYR A 129 7.942 -2.130 7.714 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.269 -2.485 8.864 1.00 0.00 C ATOM 1447 OH TYR A 129 7.402 -1.720 10.000 1.00 0.00 O ATOM 0 H TYR A 129 9.306 -5.296 4.950 1.00 0.00 H new ATOM 0 HA TYR A 129 7.214 -6.710 6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.298 -4.342 4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.795 -4.999 5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.702 -5.247 7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.335 -2.619 5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.937 -3.881 9.784 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.572 -1.253 7.703 1.00 0.00 H new ATOM 0 HH TYR A 129 8.005 -0.969 9.820 1.00 0.00 H new ATOM 1457 N GLN A 130 7.968 -7.736 3.570 1.00 0.00 N ATOM 1458 CA GLN A 130 7.639 -8.617 2.456 1.00 0.00 C ATOM 1459 C GLN A 130 7.095 -9.950 2.958 1.00 0.00 C ATOM 1460 O GLN A 130 7.515 -10.450 4.002 1.00 0.00 O ATOM 1461 CB GLN A 130 8.873 -8.852 1.583 1.00 0.00 C ATOM 1462 CG GLN A 130 8.544 -9.114 0.122 1.00 0.00 C ATOM 1463 CD GLN A 130 9.734 -9.637 -0.659 1.00 0.00 C ATOM 1464 OE1 GLN A 130 9.588 -10.480 -1.544 1.00 0.00 O ATOM 1465 NE2 GLN A 130 10.921 -9.138 -0.335 1.00 0.00 N ATOM 0 H GLN A 130 8.968 -7.615 3.732 1.00 0.00 H new ATOM 0 HA GLN A 130 6.867 -8.133 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.526 -7.982 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.432 -9.700 1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.729 -9.835 0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.189 -8.192 -0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 130 10.996 -8.441 0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.758 -9.452 -0.827 1.00 0.00 H new ATOM 1474 N LEU A 131 6.157 -10.520 2.209 1.00 0.00 N ATOM 1475 CA LEU A 131 5.554 -11.796 2.578 1.00 0.00 C ATOM 1476 C LEU A 131 5.880 -12.871 1.546 1.00 0.00 C ATOM 1477 O LEU A 131 6.327 -12.568 0.439 1.00 0.00 O ATOM 1478 CB LEU A 131 4.038 -11.646 2.714 1.00 0.00 C ATOM 1479 CG LEU A 131 3.543 -10.971 3.994 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.087 -10.556 3.849 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.720 -11.896 5.188 1.00 0.00 C ATOM 0 H LEU A 131 5.798 -10.119 1.343 1.00 0.00 H new ATOM 0 HA LEU A 131 5.970 -12.102 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.671 -11.075 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.588 -12.637 2.652 1.00 0.00 H new ATOM 0 HG LEU A 131 4.140 -10.075 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.752 -10.077 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.989 -9.856 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.475 -11.437 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.362 -11.399 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.149 -12.811 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.775 -12.143 5.304 1.00 0.00 H new ATOM 1493 N TYR A 132 5.650 -14.126 1.914 1.00 0.00 N ATOM 1494 CA TYR A 132 5.918 -15.246 1.020 1.00 0.00 C ATOM 1495 C TYR A 132 7.137 -14.966 0.146 1.00 0.00 C ATOM 1496 O TYR A 132 7.097 -15.142 -1.072 1.00 0.00 O ATOM 1497 CB TYR A 132 4.699 -15.528 0.140 1.00 0.00 C ATOM 1498 CG TYR A 132 3.435 -15.798 0.925 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.351 -16.879 1.794 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.325 -14.972 0.797 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.198 -17.130 2.512 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.169 -15.215 1.513 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.110 -16.295 2.369 1.00 0.00 C ATOM 1504 OH TYR A 132 -0.041 -16.541 3.082 1.00 0.00 O ATOM 0 H TYR A 132 5.278 -14.394 2.825 1.00 0.00 H new ATOM 0 HA TYR A 132 6.126 -16.124 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.532 -14.676 -0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.912 -16.387 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.202 -17.534 1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.367 -14.126 0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.149 -17.976 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.315 -14.562 1.403 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.479 -17.344 2.729 1.00 0.00 H new