USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 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 56 HIS : no HD1:sc= 0.189 K(o=-0.022,f=-4.9!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -0.211 X(o=-0.022,f=0.22) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 16 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.23) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 41:sc= -0.0181 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.14) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-9.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00158 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0107 (180deg=-0.188) USER MOD Single : A 61 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-6.1!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc=-0.00254 X(o=-0.0025,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.848 16.747 2.252 1.00 0.00 N ATOM 84 CA VAL A 2 -2.602 15.988 3.243 1.00 0.00 C ATOM 85 C VAL A 2 -2.073 14.563 3.362 1.00 0.00 C ATOM 86 O VAL A 2 -2.152 13.778 2.417 1.00 0.00 O ATOM 87 CB VAL A 2 -4.101 15.940 2.892 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.863 15.111 3.914 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.672 17.347 2.803 1.00 0.00 C ATOM 0 HA VAL A 2 -2.476 16.500 4.197 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.213 15.464 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.920 15.089 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.470 14.094 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.746 15.555 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.732 17.294 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.549 17.851 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.145 17.905 2.029 1.00 0.00 H new ATOM 99 N LYS A 3 -1.535 14.234 4.532 1.00 0.00 N ATOM 100 CA LYS A 3 -0.994 12.903 4.778 1.00 0.00 C ATOM 101 C LYS A 3 -2.114 11.875 4.903 1.00 0.00 C ATOM 102 O LYS A 3 -3.191 12.176 5.420 1.00 0.00 O ATOM 103 CB LYS A 3 -0.142 12.902 6.049 1.00 0.00 C ATOM 104 CG LYS A 3 0.602 11.599 6.282 1.00 0.00 C ATOM 105 CD LYS A 3 1.083 11.481 7.719 1.00 0.00 C ATOM 106 CE LYS A 3 2.371 12.259 7.942 1.00 0.00 C ATOM 107 NZ LYS A 3 2.623 12.511 9.388 1.00 0.00 N ATOM 0 H LYS A 3 -1.462 14.872 5.325 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.368 12.631 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.579 13.717 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.784 13.102 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.051 10.759 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.455 11.540 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.311 11.852 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.244 10.431 7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.208 11.704 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.318 13.210 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.510 13.043 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.836 13.062 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.699 11.604 9.890 1.00 0.00 H new ATOM 121 N LEU A 4 -1.853 10.662 4.430 1.00 0.00 N ATOM 122 CA LEU A 4 -2.840 9.588 4.491 1.00 0.00 C ATOM 123 C LEU A 4 -2.262 8.357 5.180 1.00 0.00 C ATOM 124 O LEU A 4 -1.222 7.836 4.776 1.00 0.00 O ATOM 125 CB LEU A 4 -3.313 9.223 3.083 1.00 0.00 C ATOM 126 CG LEU A 4 -3.988 10.344 2.290 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.233 9.908 0.854 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.293 10.755 2.955 1.00 0.00 C ATOM 0 H LEU A 4 -0.967 10.397 4.000 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.691 9.942 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.454 8.868 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.010 8.389 3.160 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.322 11.207 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.714 10.718 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.282 9.663 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.879 9.030 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.760 11.553 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.965 9.898 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.091 11.109 3.966 1.00 0.00 H new ATOM 140 N PHE A 5 -2.945 7.894 6.223 1.00 0.00 N ATOM 141 CA PHE A 5 -2.500 6.722 6.968 1.00 0.00 C ATOM 142 C PHE A 5 -2.998 5.438 6.310 1.00 0.00 C ATOM 143 O PHE A 5 -4.201 5.243 6.136 1.00 0.00 O ATOM 144 CB PHE A 5 -2.996 6.793 8.414 1.00 0.00 C ATOM 145 CG PHE A 5 -2.681 5.563 9.217 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.401 5.033 9.223 1.00 0.00 C ATOM 147 CD2 PHE A 5 -3.666 4.937 9.964 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.108 3.901 9.961 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.379 3.805 10.704 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.099 3.286 10.701 1.00 0.00 C ATOM 0 H PHE A 5 -3.808 8.312 6.571 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.410 6.712 6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.549 7.660 8.901 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.075 6.950 8.412 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.623 5.509 8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.669 5.338 9.968 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.106 3.498 9.959 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.155 3.327 11.284 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.873 2.400 11.277 1.00 0.00 H new ATOM 160 N ILE A 6 -2.063 4.566 5.947 1.00 0.00 N ATOM 161 CA ILE A 6 -2.406 3.301 5.309 1.00 0.00 C ATOM 162 C ILE A 6 -1.875 2.119 6.112 1.00 0.00 C ATOM 163 O ILE A 6 -0.666 1.914 6.209 1.00 0.00 O ATOM 164 CB ILE A 6 -1.849 3.225 3.875 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.192 4.500 3.103 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.399 2.001 3.158 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.712 4.485 1.668 1.00 0.00 C ATOM 0 H ILE A 6 -1.063 4.712 6.084 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.494 3.251 5.271 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.764 3.135 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.273 4.643 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.752 5.355 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.997 1.961 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.109 1.101 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.486 2.063 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.990 5.420 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.628 4.374 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.172 3.650 1.139 1.00 0.00 H new ATOM 179 N GLY A 7 -2.788 1.342 6.686 1.00 0.00 N ATOM 180 CA GLY A 7 -2.393 0.188 7.472 1.00 0.00 C ATOM 181 C GLY A 7 -2.802 -1.121 6.827 1.00 0.00 C ATOM 182 O GLY A 7 -3.576 -1.134 5.871 1.00 0.00 O ATOM 0 H GLY A 7 -3.795 1.491 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.312 0.199 7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.841 0.257 8.463 1.00 0.00 H new ATOM 186 N ASN A 8 -2.280 -2.226 7.350 1.00 0.00 N ATOM 187 CA ASN A 8 -2.595 -3.547 6.817 1.00 0.00 C ATOM 188 C ASN A 8 -2.063 -3.700 5.395 1.00 0.00 C ATOM 189 O ASN A 8 -2.774 -4.162 4.502 1.00 0.00 O ATOM 190 CB ASN A 8 -4.106 -3.781 6.837 1.00 0.00 C ATOM 191 CG ASN A 8 -4.462 -5.249 6.976 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.706 -5.738 8.079 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.494 -5.958 5.854 1.00 0.00 N ATOM 0 H ASN A 8 -1.637 -2.233 8.142 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.111 -4.292 7.449 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.546 -3.223 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.544 -3.389 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.728 -6.950 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.285 -5.510 4.962 1.00 0.00 H new ATOM 200 N LEU A 9 -0.810 -3.310 5.193 1.00 0.00 N ATOM 201 CA LEU A 9 -0.182 -3.405 3.880 1.00 0.00 C ATOM 202 C LEU A 9 0.513 -4.751 3.704 1.00 0.00 C ATOM 203 O LEU A 9 1.115 -5.293 4.631 1.00 0.00 O ATOM 204 CB LEU A 9 0.826 -2.270 3.692 1.00 0.00 C ATOM 205 CG LEU A 9 0.237 -0.867 3.541 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.316 0.188 3.724 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.436 -0.714 2.184 1.00 0.00 C ATOM 0 H LEU A 9 -0.209 -2.925 5.921 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.963 -3.319 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.504 -2.268 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.427 -2.487 2.809 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.516 -0.725 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.878 1.180 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.752 0.093 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.093 0.048 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.849 0.291 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.297 -0.877 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.238 -1.446 2.091 1.00 0.00 H new ATOM 219 N PRO A 10 0.431 -5.305 2.485 1.00 0.00 N ATOM 220 CA PRO A 10 1.048 -6.594 2.158 1.00 0.00 C ATOM 221 C PRO A 10 2.555 -6.480 1.954 1.00 0.00 C ATOM 222 O PRO A 10 3.135 -5.409 2.131 1.00 0.00 O ATOM 223 CB PRO A 10 0.360 -6.995 0.850 1.00 0.00 C ATOM 224 CG PRO A 10 -0.025 -5.704 0.214 1.00 0.00 C ATOM 225 CD PRO A 10 -0.271 -4.716 1.332 1.00 0.00 C ATOM 0 HA PRO A 10 0.924 -7.321 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.031 -7.568 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.513 -7.620 1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.766 -5.349 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.920 -5.827 -0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.121 -3.729 1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.336 -4.595 1.531 1.00 0.00 H new ATOM 233 N ARG A 11 3.182 -7.590 1.581 1.00 0.00 N ATOM 234 CA ARG A 11 4.622 -7.614 1.354 1.00 0.00 C ATOM 235 C ARG A 11 4.957 -7.162 -0.065 1.00 0.00 C ATOM 236 O ARG A 11 6.022 -6.598 -0.311 1.00 0.00 O ATOM 237 CB ARG A 11 5.175 -9.020 1.596 1.00 0.00 C ATOM 238 CG ARG A 11 4.627 -10.064 0.636 1.00 0.00 C ATOM 239 CD ARG A 11 4.797 -11.471 1.187 1.00 0.00 C ATOM 240 NE ARG A 11 6.138 -11.996 0.944 1.00 0.00 N ATOM 241 CZ ARG A 11 6.510 -13.233 1.254 1.00 0.00 C ATOM 242 NH1 ARG A 11 5.647 -14.067 1.816 1.00 0.00 N ATOM 243 NH2 ARG A 11 7.748 -13.637 1.001 1.00 0.00 N ATOM 0 H ARG A 11 2.716 -8.485 1.429 1.00 0.00 H new ATOM 0 HA ARG A 11 5.086 -6.922 2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.261 -8.994 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.944 -9.321 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.571 -9.870 0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.139 -9.983 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.598 -11.467 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.061 -12.131 0.729 1.00 0.00 H new ATOM 0 HE ARG A 11 6.826 -11.379 0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.694 -13.760 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.935 -15.016 2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.415 -12.998 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.033 -14.587 1.239 1.00 0.00 H new ATOM 257 N GLU A 12 4.039 -7.416 -0.993 1.00 0.00 N ATOM 258 CA GLU A 12 4.238 -7.036 -2.387 1.00 0.00 C ATOM 259 C GLU A 12 4.084 -5.528 -2.567 1.00 0.00 C ATOM 260 O GLU A 12 4.645 -4.943 -3.493 1.00 0.00 O ATOM 261 CB GLU A 12 3.244 -7.772 -3.286 1.00 0.00 C ATOM 262 CG GLU A 12 3.631 -9.214 -3.569 1.00 0.00 C ATOM 263 CD GLU A 12 2.960 -9.766 -4.812 1.00 0.00 C ATOM 264 OE1 GLU A 12 3.512 -9.579 -5.916 1.00 0.00 O ATOM 265 OE2 GLU A 12 1.883 -10.384 -4.680 1.00 0.00 O ATOM 0 H GLU A 12 3.152 -7.883 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 12 5.252 -7.317 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.260 -7.754 -2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.156 -7.236 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.713 -9.280 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.365 -9.832 -2.712 1.00 0.00 H new ATOM 272 N ALA A 13 3.319 -4.907 -1.675 1.00 0.00 N ATOM 273 CA ALA A 13 3.092 -3.468 -1.734 1.00 0.00 C ATOM 274 C ALA A 13 4.407 -2.711 -1.885 1.00 0.00 C ATOM 275 O ALA A 13 5.372 -2.971 -1.166 1.00 0.00 O ATOM 276 CB ALA A 13 2.350 -3.000 -0.491 1.00 0.00 C ATOM 0 H ALA A 13 2.846 -5.378 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 13 2.479 -3.257 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.187 -1.924 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.389 -3.510 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.942 -3.231 0.395 1.00 0.00 H new ATOM 282 N THR A 14 4.438 -1.771 -2.826 1.00 0.00 N ATOM 283 CA THR A 14 5.635 -0.977 -3.073 1.00 0.00 C ATOM 284 C THR A 14 5.301 0.507 -3.164 1.00 0.00 C ATOM 285 O THR A 14 4.276 0.888 -3.728 1.00 0.00 O ATOM 286 CB THR A 14 6.341 -1.413 -4.371 1.00 0.00 C ATOM 287 OG1 THR A 14 5.409 -1.419 -5.457 1.00 0.00 O ATOM 288 CG2 THR A 14 6.954 -2.797 -4.215 1.00 0.00 C ATOM 0 H THR A 14 3.648 -1.542 -3.429 1.00 0.00 H new ATOM 0 HA THR A 14 6.305 -1.145 -2.230 1.00 0.00 H new ATOM 0 HB THR A 14 7.139 -0.701 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.866 -1.696 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.447 -3.083 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.685 -2.782 -3.406 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.170 -3.518 -3.983 1.00 0.00 H new ATOM 296 N GLU A 15 6.172 1.341 -2.605 1.00 0.00 N ATOM 297 CA GLU A 15 5.968 2.785 -2.624 1.00 0.00 C ATOM 298 C GLU A 15 5.287 3.221 -3.919 1.00 0.00 C ATOM 299 O GLU A 15 4.407 4.081 -3.909 1.00 0.00 O ATOM 300 CB GLU A 15 7.304 3.514 -2.467 1.00 0.00 C ATOM 301 CG GLU A 15 7.760 3.646 -1.024 1.00 0.00 C ATOM 302 CD GLU A 15 8.534 2.434 -0.543 1.00 0.00 C ATOM 303 OE1 GLU A 15 9.247 1.821 -1.364 1.00 0.00 O ATOM 304 OE2 GLU A 15 8.425 2.099 0.655 1.00 0.00 O ATOM 0 H GLU A 15 7.026 1.042 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 15 5.320 3.046 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.068 2.981 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.219 4.509 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.384 4.534 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.890 3.794 -0.384 1.00 0.00 H new ATOM 311 N GLN A 16 5.702 2.621 -5.030 1.00 0.00 N ATOM 312 CA GLN A 16 5.133 2.948 -6.332 1.00 0.00 C ATOM 313 C GLN A 16 3.680 2.493 -6.421 1.00 0.00 C ATOM 314 O GLN A 16 2.769 3.313 -6.529 1.00 0.00 O ATOM 315 CB GLN A 16 5.953 2.298 -7.448 1.00 0.00 C ATOM 316 CG GLN A 16 5.659 2.865 -8.827 1.00 0.00 C ATOM 317 CD GLN A 16 6.763 2.575 -9.825 1.00 0.00 C ATOM 318 OE1 GLN A 16 7.942 2.797 -9.546 1.00 0.00 O ATOM 319 NE2 GLN A 16 6.387 2.075 -10.996 1.00 0.00 N ATOM 0 H GLN A 16 6.430 1.907 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 16 5.163 4.031 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.013 2.426 -7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.756 1.226 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.722 2.447 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.518 3.943 -8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.399 1.907 -11.185 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.086 1.859 -11.707 1.00 0.00 H new ATOM 328 N GLU A 17 3.472 1.180 -6.376 1.00 0.00 N ATOM 329 CA GLU A 17 2.129 0.617 -6.453 1.00 0.00 C ATOM 330 C GLU A 17 1.137 1.467 -5.664 1.00 0.00 C ATOM 331 O GLU A 17 0.120 1.909 -6.199 1.00 0.00 O ATOM 332 CB GLU A 17 2.123 -0.818 -5.924 1.00 0.00 C ATOM 333 CG GLU A 17 2.835 -1.805 -6.834 1.00 0.00 C ATOM 334 CD GLU A 17 2.973 -3.180 -6.209 1.00 0.00 C ATOM 335 OE1 GLU A 17 2.086 -3.562 -5.417 1.00 0.00 O ATOM 336 OE2 GLU A 17 3.967 -3.873 -6.511 1.00 0.00 O ATOM 0 H GLU A 17 4.216 0.488 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 17 1.824 0.612 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.595 -0.836 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.091 -1.142 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.286 -1.890 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.825 -1.420 -7.078 1.00 0.00 H new ATOM 343 N ILE A 18 1.440 1.689 -4.390 1.00 0.00 N ATOM 344 CA ILE A 18 0.576 2.485 -3.527 1.00 0.00 C ATOM 345 C ILE A 18 0.452 3.915 -4.042 1.00 0.00 C ATOM 346 O ILE A 18 -0.642 4.478 -4.081 1.00 0.00 O ATOM 347 CB ILE A 18 1.101 2.516 -2.079 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.300 1.093 -1.555 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.142 3.287 -1.185 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.005 0.343 -1.334 1.00 0.00 C ATOM 0 H ILE A 18 2.277 1.329 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.405 2.011 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 18 2.065 3.024 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.916 0.537 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.851 1.134 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.526 3.300 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.047 4.310 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.835 2.804 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.223 -0.658 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.604 0.876 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.538 0.270 -2.276 1.00 0.00 H new ATOM 362 N ARG A 19 1.580 4.496 -4.436 1.00 0.00 N ATOM 363 CA ARG A 19 1.597 5.860 -4.950 1.00 0.00 C ATOM 364 C ARG A 19 0.650 6.007 -6.137 1.00 0.00 C ATOM 365 O ARG A 19 -0.297 6.792 -6.095 1.00 0.00 O ATOM 366 CB ARG A 19 3.016 6.254 -5.365 1.00 0.00 C ATOM 367 CG ARG A 19 3.123 7.672 -5.899 1.00 0.00 C ATOM 368 CD ARG A 19 4.506 7.951 -6.467 1.00 0.00 C ATOM 369 NE ARG A 19 4.657 9.343 -6.884 1.00 0.00 N ATOM 370 CZ ARG A 19 5.825 9.895 -7.192 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.938 9.177 -7.132 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.881 11.168 -7.562 1.00 0.00 N ATOM 0 H ARG A 19 2.494 4.044 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 19 1.260 6.524 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.679 6.147 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.368 5.560 -6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.372 7.828 -6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.907 8.380 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.260 7.714 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.687 7.296 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 19 3.820 9.923 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.899 8.198 -6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.834 9.604 -7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.027 11.723 -7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.778 11.591 -7.798 1.00 0.00 H new ATOM 386 N SER A 20 0.913 5.245 -7.194 1.00 0.00 N ATOM 387 CA SER A 20 0.086 5.293 -8.395 1.00 0.00 C ATOM 388 C SER A 20 -1.396 5.277 -8.035 1.00 0.00 C ATOM 389 O SER A 20 -2.174 6.102 -8.518 1.00 0.00 O ATOM 390 CB SER A 20 0.412 4.113 -9.312 1.00 0.00 C ATOM 391 OG SER A 20 1.492 4.422 -10.176 1.00 0.00 O ATOM 0 H SER A 20 1.691 4.588 -7.243 1.00 0.00 H new ATOM 0 HA SER A 20 0.305 6.223 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.662 3.239 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.467 3.853 -9.902 1.00 0.00 H new ATOM 0 HG SER A 20 1.682 3.651 -10.751 1.00 0.00 H new ATOM 397 N LEU A 21 -1.782 4.333 -7.184 1.00 0.00 N ATOM 398 CA LEU A 21 -3.171 4.208 -6.757 1.00 0.00 C ATOM 399 C LEU A 21 -3.751 5.569 -6.385 1.00 0.00 C ATOM 400 O LEU A 21 -4.938 5.826 -6.588 1.00 0.00 O ATOM 401 CB LEU A 21 -3.276 3.254 -5.566 1.00 0.00 C ATOM 402 CG LEU A 21 -3.252 1.761 -5.898 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.154 0.933 -4.627 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.489 1.373 -6.696 1.00 0.00 C ATOM 0 H LEU A 21 -1.152 3.642 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.746 3.804 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.455 3.467 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.201 3.472 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.372 1.558 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.138 -0.126 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.239 1.191 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.015 1.140 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.456 0.308 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.383 1.591 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.516 1.942 -7.625 1.00 0.00 H new ATOM 416 N PHE A 22 -2.906 6.438 -5.842 1.00 0.00 N ATOM 417 CA PHE A 22 -3.334 7.774 -5.443 1.00 0.00 C ATOM 418 C PHE A 22 -3.230 8.750 -6.611 1.00 0.00 C ATOM 419 O PHE A 22 -4.050 9.657 -6.750 1.00 0.00 O ATOM 420 CB PHE A 22 -2.490 8.274 -4.269 1.00 0.00 C ATOM 421 CG PHE A 22 -2.857 7.644 -2.955 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.015 8.019 -2.292 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.045 6.678 -2.384 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.355 7.442 -1.083 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.380 6.097 -1.175 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.537 6.479 -0.525 1.00 0.00 C ATOM 0 H PHE A 22 -1.920 6.241 -5.668 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.377 7.716 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.439 8.075 -4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.600 9.355 -4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.659 8.770 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.140 6.375 -2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.259 7.744 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.738 5.346 -0.740 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.802 6.025 0.419 1.00 0.00 H new ATOM 436 N GLU A 23 -2.214 8.557 -7.446 1.00 0.00 N ATOM 437 CA GLU A 23 -2.001 9.422 -8.601 1.00 0.00 C ATOM 438 C GLU A 23 -3.242 9.458 -9.489 1.00 0.00 C ATOM 439 O GLU A 23 -3.366 10.315 -10.363 1.00 0.00 O ATOM 440 CB GLU A 23 -0.795 8.941 -9.411 1.00 0.00 C ATOM 441 CG GLU A 23 0.534 9.461 -8.889 1.00 0.00 C ATOM 442 CD GLU A 23 0.930 10.783 -9.516 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.544 11.029 -10.678 1.00 0.00 O ATOM 444 OE2 GLU A 23 1.626 11.573 -8.844 1.00 0.00 O ATOM 0 H GLU A 23 -1.526 7.811 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.806 10.431 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.776 7.851 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.916 9.254 -10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.474 9.580 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.311 8.723 -9.086 1.00 0.00 H new ATOM 451 N GLN A 24 -4.155 8.521 -9.258 1.00 0.00 N ATOM 452 CA GLN A 24 -5.385 8.444 -10.038 1.00 0.00 C ATOM 453 C GLN A 24 -6.370 9.527 -9.608 1.00 0.00 C ATOM 454 O GLN A 24 -7.173 10.003 -10.411 1.00 0.00 O ATOM 455 CB GLN A 24 -6.027 7.064 -9.885 1.00 0.00 C ATOM 456 CG GLN A 24 -5.134 5.924 -10.346 1.00 0.00 C ATOM 457 CD GLN A 24 -5.867 4.598 -10.410 1.00 0.00 C ATOM 458 OE1 GLN A 24 -6.082 4.047 -11.490 1.00 0.00 O ATOM 459 NE2 GLN A 24 -6.254 4.079 -9.251 1.00 0.00 N ATOM 0 H GLN A 24 -4.067 7.805 -8.537 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.131 8.604 -11.086 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.290 6.909 -8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.956 7.040 -10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.730 6.159 -11.331 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.286 5.834 -9.667 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.054 4.571 -8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.751 3.189 -9.232 1.00 0.00 H new ATOM 468 N TYR A 25 -6.303 9.910 -8.338 1.00 0.00 N ATOM 469 CA TYR A 25 -7.191 10.934 -7.801 1.00 0.00 C ATOM 470 C TYR A 25 -6.395 12.128 -7.283 1.00 0.00 C ATOM 471 O TYR A 25 -6.822 12.819 -6.359 1.00 0.00 O ATOM 472 CB TYR A 25 -8.051 10.354 -6.677 1.00 0.00 C ATOM 473 CG TYR A 25 -8.462 8.917 -6.909 1.00 0.00 C ATOM 474 CD1 TYR A 25 -9.592 8.610 -7.656 1.00 0.00 C ATOM 475 CD2 TYR A 25 -7.721 7.868 -6.379 1.00 0.00 C ATOM 476 CE1 TYR A 25 -9.972 7.299 -7.870 1.00 0.00 C ATOM 477 CE2 TYR A 25 -8.093 6.554 -6.589 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.219 6.275 -7.335 1.00 0.00 C ATOM 479 OH TYR A 25 -9.593 4.967 -7.545 1.00 0.00 O ATOM 0 H TYR A 25 -5.643 9.527 -7.661 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.840 11.275 -8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.500 10.419 -5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.946 10.965 -6.563 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.184 9.410 -8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.840 8.083 -5.793 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.854 7.077 -8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.505 5.750 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.955 4.369 -7.102 1.00 0.00 H new ATOM 489 N GLY A 26 -5.234 12.364 -7.887 1.00 0.00 N ATOM 490 CA GLY A 26 -4.395 13.474 -7.474 1.00 0.00 C ATOM 491 C GLY A 26 -2.942 13.075 -7.314 1.00 0.00 C ATOM 492 O GLY A 26 -2.640 11.956 -6.898 1.00 0.00 O ATOM 0 H GLY A 26 -4.860 11.806 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.470 14.275 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.765 13.873 -6.530 1.00 0.00 H new ATOM 496 N LYS A 27 -2.038 13.991 -7.645 1.00 0.00 N ATOM 497 CA LYS A 27 -0.608 13.730 -7.537 1.00 0.00 C ATOM 498 C LYS A 27 -0.240 13.296 -6.121 1.00 0.00 C ATOM 499 O LYS A 27 -1.034 13.439 -5.191 1.00 0.00 O ATOM 500 CB LYS A 27 0.190 14.978 -7.922 1.00 0.00 C ATOM 501 CG LYS A 27 0.546 15.040 -9.397 1.00 0.00 C ATOM 502 CD LYS A 27 1.385 16.266 -9.717 1.00 0.00 C ATOM 503 CE LYS A 27 2.771 16.169 -9.097 1.00 0.00 C ATOM 504 NZ LYS A 27 3.658 17.278 -9.546 1.00 0.00 N ATOM 0 H LYS A 27 -2.271 14.922 -7.991 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.359 12.921 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.387 15.864 -7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.107 15.009 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.093 14.140 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.367 15.057 -9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.475 16.375 -10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.882 17.159 -9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.685 16.190 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.222 15.213 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.593 17.176 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.761 17.243 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.241 18.190 -9.270 1.00 0.00 H new ATOM 518 N VAL A 28 0.968 12.765 -5.965 1.00 0.00 N ATOM 519 CA VAL A 28 1.442 12.312 -4.663 1.00 0.00 C ATOM 520 C VAL A 28 2.771 12.967 -4.303 1.00 0.00 C ATOM 521 O VAL A 28 3.759 12.830 -5.026 1.00 0.00 O ATOM 522 CB VAL A 28 1.610 10.782 -4.628 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.429 10.362 -3.416 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.252 10.097 -4.627 1.00 0.00 C ATOM 0 H VAL A 28 1.637 12.638 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 28 0.687 12.604 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 28 2.147 10.472 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.537 9.277 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.415 10.825 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.922 10.683 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.390 9.016 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.313 10.411 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.295 10.372 -5.529 1.00 0.00 H new ATOM 534 N LEU A 29 2.789 13.679 -3.182 1.00 0.00 N ATOM 535 CA LEU A 29 3.998 14.356 -2.725 1.00 0.00 C ATOM 536 C LEU A 29 4.988 13.360 -2.130 1.00 0.00 C ATOM 537 O LEU A 29 6.057 13.122 -2.692 1.00 0.00 O ATOM 538 CB LEU A 29 3.647 15.424 -1.688 1.00 0.00 C ATOM 539 CG LEU A 29 2.524 16.388 -2.072 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.319 17.430 -0.982 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.828 17.059 -3.403 1.00 0.00 C ATOM 0 H LEU A 29 1.980 13.803 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 29 4.465 14.834 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.368 14.924 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.544 16.007 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 29 1.602 15.817 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.516 18.107 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.055 16.933 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.239 17.997 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.018 17.741 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.761 17.617 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.923 16.300 -4.180 1.00 0.00 H new ATOM 553 N GLU A 30 4.623 12.779 -0.991 1.00 0.00 N ATOM 554 CA GLU A 30 5.480 11.807 -0.322 1.00 0.00 C ATOM 555 C GLU A 30 4.811 10.437 -0.270 1.00 0.00 C ATOM 556 O GLU A 30 3.590 10.326 -0.387 1.00 0.00 O ATOM 557 CB GLU A 30 5.812 12.278 1.095 1.00 0.00 C ATOM 558 CG GLU A 30 6.725 13.492 1.135 1.00 0.00 C ATOM 559 CD GLU A 30 6.665 14.224 2.462 1.00 0.00 C ATOM 560 OE1 GLU A 30 7.165 13.674 3.465 1.00 0.00 O ATOM 561 OE2 GLU A 30 6.118 15.346 2.497 1.00 0.00 O ATOM 0 H GLU A 30 3.741 12.964 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 30 6.403 11.720 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.885 12.514 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.285 11.460 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.751 13.177 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.448 14.177 0.334 1.00 0.00 H new ATOM 568 N CYS A 31 5.618 9.397 -0.095 1.00 0.00 N ATOM 569 CA CYS A 31 5.106 8.033 -0.030 1.00 0.00 C ATOM 570 C CYS A 31 6.125 7.099 0.614 1.00 0.00 C ATOM 571 O CYS A 31 7.137 6.752 0.003 1.00 0.00 O ATOM 572 CB CYS A 31 4.750 7.532 -1.430 1.00 0.00 C ATOM 573 SG CYS A 31 6.118 7.602 -2.609 1.00 0.00 S ATOM 0 H CYS A 31 6.630 9.472 0.005 1.00 0.00 H new ATOM 0 HA CYS A 31 4.206 8.039 0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.399 6.502 -1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.921 8.125 -1.816 1.00 0.00 H new ATOM 0 HG CYS A 31 7.215 7.220 -2.024 1.00 0.00 H new ATOM 579 N ASP A 32 5.854 6.697 1.851 1.00 0.00 N ATOM 580 CA ASP A 32 6.748 5.804 2.578 1.00 0.00 C ATOM 581 C ASP A 32 6.007 4.553 3.042 1.00 0.00 C ATOM 582 O ASP A 32 4.777 4.518 3.055 1.00 0.00 O ATOM 583 CB ASP A 32 7.358 6.526 3.780 1.00 0.00 C ATOM 584 CG ASP A 32 8.736 6.002 4.132 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.372 5.373 3.260 1.00 0.00 O ATOM 586 OD2 ASP A 32 9.179 6.219 5.280 1.00 0.00 O ATOM 0 H ASP A 32 5.022 6.976 2.371 1.00 0.00 H new ATOM 0 HA ASP A 32 7.548 5.501 1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.422 7.593 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.699 6.413 4.641 1.00 0.00 H new ATOM 591 N ILE A 33 6.765 3.530 3.421 1.00 0.00 N ATOM 592 CA ILE A 33 6.180 2.278 3.885 1.00 0.00 C ATOM 593 C ILE A 33 7.024 1.654 4.992 1.00 0.00 C ATOM 594 O ILE A 33 8.088 1.092 4.733 1.00 0.00 O ATOM 595 CB ILE A 33 6.033 1.264 2.735 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.152 1.844 1.626 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.451 -0.043 3.252 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.954 0.902 0.458 1.00 0.00 C ATOM 0 H ILE A 33 7.785 3.543 3.416 1.00 0.00 H new ATOM 0 HA ILE A 33 5.191 2.518 4.276 1.00 0.00 H new ATOM 0 HB ILE A 33 7.020 1.060 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.179 2.102 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.599 2.770 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.353 -0.749 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.112 -0.461 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.470 0.143 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.320 1.378 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.921 0.663 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.478 -0.015 0.807 1.00 0.00 H new ATOM 610 N ILE A 34 6.541 1.757 6.226 1.00 0.00 N ATOM 611 CA ILE A 34 7.249 1.200 7.372 1.00 0.00 C ATOM 612 C ILE A 34 6.273 0.678 8.420 1.00 0.00 C ATOM 613 O ILE A 34 5.129 1.126 8.498 1.00 0.00 O ATOM 614 CB ILE A 34 8.174 2.245 8.023 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.861 3.090 6.948 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.206 1.560 8.906 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.432 4.388 7.474 1.00 0.00 C ATOM 0 H ILE A 34 5.663 2.221 6.457 1.00 0.00 H new ATOM 0 HA ILE A 34 7.854 0.373 6.999 1.00 0.00 H new ATOM 0 HB ILE A 34 7.571 2.905 8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.663 2.506 6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.144 3.312 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.853 2.311 9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.698 0.997 9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.807 0.880 8.303 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.904 4.935 6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.631 4.992 7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.174 4.174 8.243 1.00 0.00 H new ATOM 629 N LYS A 35 6.733 -0.272 9.228 1.00 0.00 N ATOM 630 CA LYS A 35 5.903 -0.854 10.275 1.00 0.00 C ATOM 631 C LYS A 35 4.565 -1.324 9.712 1.00 0.00 C ATOM 632 O LYS A 35 3.515 -1.092 10.308 1.00 0.00 O ATOM 633 CB LYS A 35 5.668 0.164 11.394 1.00 0.00 C ATOM 634 CG LYS A 35 6.862 0.341 12.315 1.00 0.00 C ATOM 635 CD LYS A 35 6.780 -0.582 13.519 1.00 0.00 C ATOM 636 CE LYS A 35 7.991 -0.424 14.426 1.00 0.00 C ATOM 637 NZ LYS A 35 7.879 -1.264 15.651 1.00 0.00 N ATOM 0 H LYS A 35 7.677 -0.655 9.177 1.00 0.00 H new ATOM 0 HA LYS A 35 6.429 -1.717 10.682 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.416 1.127 10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.807 -0.150 11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.781 0.140 11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.912 1.376 12.652 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.872 -0.367 14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.709 -1.616 13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.893 -0.698 13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.097 0.623 14.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.723 -1.129 16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.032 -0.986 16.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.803 -2.265 15.380 1.00 0.00 H new ATOM 651 N ASN A 36 4.613 -1.987 8.561 1.00 0.00 N ATOM 652 CA ASN A 36 3.405 -2.489 7.918 1.00 0.00 C ATOM 653 C ASN A 36 2.419 -1.356 7.650 1.00 0.00 C ATOM 654 O ASN A 36 1.211 -1.577 7.569 1.00 0.00 O ATOM 655 CB ASN A 36 2.745 -3.558 8.791 1.00 0.00 C ATOM 656 CG ASN A 36 3.757 -4.373 9.572 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.676 -4.957 8.998 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.592 -4.416 10.889 1.00 0.00 N ATOM 0 H ASN A 36 5.475 -2.189 8.055 1.00 0.00 H new ATOM 0 HA ASN A 36 3.689 -2.932 6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.054 -3.080 9.485 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.155 -4.224 8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.242 -4.949 11.467 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.816 -3.916 11.322 1.00 0.00 H new ATOM 665 N TYR A 37 2.944 -0.144 7.512 1.00 0.00 N ATOM 666 CA TYR A 37 2.111 1.025 7.254 1.00 0.00 C ATOM 667 C TYR A 37 2.767 1.946 6.230 1.00 0.00 C ATOM 668 O TYR A 37 3.978 1.901 6.023 1.00 0.00 O ATOM 669 CB TYR A 37 1.853 1.790 8.553 1.00 0.00 C ATOM 670 CG TYR A 37 2.990 2.702 8.955 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.330 3.803 8.178 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.724 2.464 10.110 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.368 4.639 8.540 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.762 3.296 10.481 1.00 0.00 C ATOM 675 CZ TYR A 37 5.081 4.382 9.692 1.00 0.00 C ATOM 676 OH TYR A 37 6.116 5.212 10.057 1.00 0.00 O ATOM 0 H TYR A 37 3.942 0.055 7.574 1.00 0.00 H new ATOM 0 HA TYR A 37 1.160 0.680 6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.945 2.383 8.441 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.671 1.075 9.356 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.773 4.008 7.276 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.479 1.613 10.729 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.620 5.490 7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.321 3.098 11.384 1.00 0.00 H new ATOM 0 HH TYR A 37 6.513 4.891 10.894 1.00 0.00 H new ATOM 686 N GLY A 38 1.955 2.784 5.592 1.00 0.00 N ATOM 687 CA GLY A 38 2.472 3.705 4.597 1.00 0.00 C ATOM 688 C GLY A 38 1.858 5.086 4.711 1.00 0.00 C ATOM 689 O GLY A 38 0.680 5.225 5.041 1.00 0.00 O ATOM 0 H GLY A 38 0.948 2.841 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.554 3.782 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.278 3.306 3.601 1.00 0.00 H new ATOM 693 N PHE A 39 2.658 6.112 4.439 1.00 0.00 N ATOM 694 CA PHE A 39 2.187 7.490 4.515 1.00 0.00 C ATOM 695 C PHE A 39 2.196 8.145 3.137 1.00 0.00 C ATOM 696 O PHE A 39 3.253 8.330 2.532 1.00 0.00 O ATOM 697 CB PHE A 39 3.057 8.296 5.481 1.00 0.00 C ATOM 698 CG PHE A 39 2.892 7.890 6.918 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.633 7.650 7.444 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.996 7.748 7.743 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.477 7.276 8.765 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.847 7.374 9.065 1.00 0.00 C ATOM 703 CZ PHE A 39 2.586 7.138 9.577 1.00 0.00 C ATOM 0 H PHE A 39 3.635 6.015 4.164 1.00 0.00 H new ATOM 0 HA PHE A 39 1.162 7.477 4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.103 8.181 5.197 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.814 9.354 5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.763 7.757 6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.984 7.932 7.348 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.490 7.092 9.162 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.716 7.266 9.697 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.467 6.846 10.610 1.00 0.00 H new ATOM 713 N VAL A 40 1.011 8.494 2.646 1.00 0.00 N ATOM 714 CA VAL A 40 0.882 9.129 1.340 1.00 0.00 C ATOM 715 C VAL A 40 0.298 10.531 1.466 1.00 0.00 C ATOM 716 O VAL A 40 -0.830 10.707 1.929 1.00 0.00 O ATOM 717 CB VAL A 40 -0.008 8.297 0.397 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.265 9.051 -0.899 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.631 6.945 0.118 1.00 0.00 C ATOM 0 H VAL A 40 0.127 8.348 3.133 1.00 0.00 H new ATOM 0 HA VAL A 40 1.885 9.193 0.919 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.967 8.127 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.895 8.448 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.768 9.993 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.684 9.254 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.011 6.370 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.604 7.092 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.759 6.403 1.055 1.00 0.00 H new ATOM 729 N HIS A 41 1.072 11.529 1.051 1.00 0.00 N ATOM 730 CA HIS A 41 0.631 12.917 1.116 1.00 0.00 C ATOM 731 C HIS A 41 0.162 13.403 -0.252 1.00 0.00 C ATOM 732 O HIS A 41 0.975 13.683 -1.134 1.00 0.00 O ATOM 733 CB HIS A 41 1.762 13.810 1.627 1.00 0.00 C ATOM 734 CG HIS A 41 2.394 13.313 2.890 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.084 12.121 2.968 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.439 13.853 4.131 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.525 11.950 4.201 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.147 12.987 4.927 1.00 0.00 N ATOM 0 H HIS A 41 2.008 11.402 0.666 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.208 12.974 1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.527 13.890 0.855 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.373 14.814 1.796 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.231 11.473 2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.000 14.791 4.438 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.098 11.106 4.556 1.00 0.00 H new ATOM 746 N ILE A 42 -1.152 13.501 -0.421 1.00 0.00 N ATOM 747 CA ILE A 42 -1.728 13.954 -1.681 1.00 0.00 C ATOM 748 C ILE A 42 -1.578 15.462 -1.844 1.00 0.00 C ATOM 749 O ILE A 42 -1.258 16.170 -0.890 1.00 0.00 O ATOM 750 CB ILE A 42 -3.220 13.584 -1.783 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.675 13.608 -3.244 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.060 14.536 -0.946 1.00 0.00 C ATOM 753 CD1 ILE A 42 -4.941 12.819 -3.495 1.00 0.00 C ATOM 0 H ILE A 42 -1.838 13.273 0.299 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.181 13.449 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.356 12.574 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.834 14.642 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.878 13.209 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.112 14.262 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.749 14.474 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.922 15.556 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.204 12.880 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.780 11.776 -3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.752 13.231 -2.894 1.00 0.00 H new ATOM 765 N GLU A 43 -1.813 15.947 -3.060 1.00 0.00 N ATOM 766 CA GLU A 43 -1.704 17.373 -3.347 1.00 0.00 C ATOM 767 C GLU A 43 -2.773 18.162 -2.597 1.00 0.00 C ATOM 768 O GLU A 43 -2.484 18.832 -1.605 1.00 0.00 O ATOM 769 CB GLU A 43 -1.831 17.623 -4.851 1.00 0.00 C ATOM 770 CG GLU A 43 -2.405 18.988 -5.194 1.00 0.00 C ATOM 771 CD GLU A 43 -1.962 19.481 -6.558 1.00 0.00 C ATOM 772 OE1 GLU A 43 -1.927 18.664 -7.502 1.00 0.00 O ATOM 773 OE2 GLU A 43 -1.652 20.684 -6.681 1.00 0.00 O ATOM 0 H GLU A 43 -2.080 15.374 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.724 17.712 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.848 17.525 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.465 16.851 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.493 18.938 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.099 19.708 -4.435 1.00 0.00 H new ATOM 780 N ASP A 44 -4.009 18.077 -3.077 1.00 0.00 N ATOM 781 CA ASP A 44 -5.122 18.783 -2.453 1.00 0.00 C ATOM 782 C ASP A 44 -5.999 17.820 -1.658 1.00 0.00 C ATOM 783 O ASP A 44 -6.185 16.667 -2.049 1.00 0.00 O ATOM 784 CB ASP A 44 -5.960 19.498 -3.514 1.00 0.00 C ATOM 785 CG ASP A 44 -7.206 20.137 -2.933 1.00 0.00 C ATOM 786 OD1 ASP A 44 -7.073 21.137 -2.197 1.00 0.00 O ATOM 787 OD2 ASP A 44 -8.315 19.637 -3.215 1.00 0.00 O ATOM 0 H ASP A 44 -4.265 17.526 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.711 19.523 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.353 20.264 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.247 18.785 -4.287 1.00 0.00 H new ATOM 792 N LYS A 45 -6.534 18.299 -0.541 1.00 0.00 N ATOM 793 CA LYS A 45 -7.391 17.482 0.309 1.00 0.00 C ATOM 794 C LYS A 45 -8.520 16.852 -0.501 1.00 0.00 C ATOM 795 O LYS A 45 -8.610 15.629 -0.614 1.00 0.00 O ATOM 796 CB LYS A 45 -7.974 18.327 1.444 1.00 0.00 C ATOM 797 CG LYS A 45 -8.920 17.559 2.351 1.00 0.00 C ATOM 798 CD LYS A 45 -8.168 16.587 3.245 1.00 0.00 C ATOM 799 CE LYS A 45 -7.497 17.303 4.407 1.00 0.00 C ATOM 800 NZ LYS A 45 -8.433 17.508 5.547 1.00 0.00 N ATOM 0 H LYS A 45 -6.389 19.250 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.783 16.684 0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.157 18.729 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.505 19.178 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.484 18.259 2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.643 17.013 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.858 15.836 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.416 16.059 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.637 16.724 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.119 18.268 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.938 17.999 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.241 18.082 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.774 16.586 5.886 1.00 0.00 H new ATOM 814 N THR A 46 -9.379 17.695 -1.065 1.00 0.00 N ATOM 815 CA THR A 46 -10.501 17.221 -1.865 1.00 0.00 C ATOM 816 C THR A 46 -10.097 16.033 -2.730 1.00 0.00 C ATOM 817 O THR A 46 -10.911 15.157 -3.018 1.00 0.00 O ATOM 818 CB THR A 46 -11.056 18.337 -2.771 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.254 19.533 -2.010 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.370 17.912 -3.410 1.00 0.00 C ATOM 0 H THR A 46 -9.319 18.710 -0.982 1.00 0.00 H new ATOM 0 HA THR A 46 -11.278 16.910 -1.167 1.00 0.00 H new ATOM 0 HB THR A 46 -10.331 18.527 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.605 20.238 -2.594 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.743 18.716 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.209 17.018 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.101 17.697 -2.630 1.00 0.00 H new ATOM 828 N ALA A 47 -8.833 16.010 -3.142 1.00 0.00 N ATOM 829 CA ALA A 47 -8.320 14.927 -3.972 1.00 0.00 C ATOM 830 C ALA A 47 -8.275 13.615 -3.197 1.00 0.00 C ATOM 831 O ALA A 47 -8.706 12.574 -3.694 1.00 0.00 O ATOM 832 CB ALA A 47 -6.937 15.277 -4.501 1.00 0.00 C ATOM 0 H ALA A 47 -8.146 16.729 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.998 14.797 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.566 14.459 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.996 16.186 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.257 15.436 -3.664 1.00 0.00 H new ATOM 838 N ALA A 48 -7.751 13.671 -1.977 1.00 0.00 N ATOM 839 CA ALA A 48 -7.652 12.487 -1.133 1.00 0.00 C ATOM 840 C ALA A 48 -9.011 11.814 -0.967 1.00 0.00 C ATOM 841 O ALA A 48 -9.134 10.600 -1.119 1.00 0.00 O ATOM 842 CB ALA A 48 -7.074 12.854 0.226 1.00 0.00 C ATOM 0 H ALA A 48 -7.388 14.524 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.983 11.779 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.006 11.960 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.080 13.282 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.722 13.584 0.712 1.00 0.00 H new ATOM 848 N GLU A 49 -10.027 12.613 -0.655 1.00 0.00 N ATOM 849 CA GLU A 49 -11.376 12.093 -0.468 1.00 0.00 C ATOM 850 C GLU A 49 -11.676 10.983 -1.471 1.00 0.00 C ATOM 851 O GLU A 49 -11.853 9.824 -1.096 1.00 0.00 O ATOM 852 CB GLU A 49 -12.404 13.217 -0.612 1.00 0.00 C ATOM 853 CG GLU A 49 -12.719 13.926 0.695 1.00 0.00 C ATOM 854 CD GLU A 49 -13.910 14.858 0.581 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.891 14.487 -0.097 1.00 0.00 O ATOM 856 OE2 GLU A 49 -13.860 15.957 1.171 1.00 0.00 O ATOM 0 H GLU A 49 -9.941 13.621 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.441 11.677 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.033 13.947 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.325 12.805 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.916 13.184 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.846 14.495 1.015 1.00 0.00 H new ATOM 863 N ASP A 50 -11.731 11.347 -2.747 1.00 0.00 N ATOM 864 CA ASP A 50 -12.008 10.383 -3.806 1.00 0.00 C ATOM 865 C ASP A 50 -11.232 9.089 -3.580 1.00 0.00 C ATOM 866 O ASP A 50 -11.819 8.039 -3.319 1.00 0.00 O ATOM 867 CB ASP A 50 -11.652 10.975 -5.170 1.00 0.00 C ATOM 868 CG ASP A 50 -12.480 10.382 -6.293 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.524 9.764 -5.997 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.084 10.534 -7.468 1.00 0.00 O ATOM 0 H ASP A 50 -11.587 12.303 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.074 10.154 -3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.801 12.055 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.595 10.803 -5.372 1.00 0.00 H new ATOM 875 N ALA A 51 -9.910 9.173 -3.683 1.00 0.00 N ATOM 876 CA ALA A 51 -9.053 8.010 -3.490 1.00 0.00 C ATOM 877 C ALA A 51 -9.444 7.244 -2.230 1.00 0.00 C ATOM 878 O ALA A 51 -9.878 6.094 -2.302 1.00 0.00 O ATOM 879 CB ALA A 51 -7.594 8.434 -3.420 1.00 0.00 C ATOM 0 H ALA A 51 -9.409 10.035 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.186 7.346 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.966 7.555 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.315 8.931 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.454 9.121 -2.585 1.00 0.00 H new ATOM 885 N ILE A 52 -9.287 7.888 -1.079 1.00 0.00 N ATOM 886 CA ILE A 52 -9.624 7.267 0.196 1.00 0.00 C ATOM 887 C ILE A 52 -10.923 6.475 0.095 1.00 0.00 C ATOM 888 O ILE A 52 -10.946 5.267 0.332 1.00 0.00 O ATOM 889 CB ILE A 52 -9.762 8.317 1.315 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.427 9.029 1.542 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.244 7.661 2.600 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.544 10.275 2.392 1.00 0.00 C ATOM 0 H ILE A 52 -8.928 8.840 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.806 6.590 0.443 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.501 9.058 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.732 8.338 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.998 9.297 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.337 8.416 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.214 7.195 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.527 6.902 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.560 10.728 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.214 10.985 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.943 10.011 3.371 1.00 0.00 H new ATOM 904 N ARG A 53 -12.003 7.163 -0.261 1.00 0.00 N ATOM 905 CA ARG A 53 -13.307 6.524 -0.394 1.00 0.00 C ATOM 906 C ARG A 53 -13.172 5.141 -1.025 1.00 0.00 C ATOM 907 O ARG A 53 -13.676 4.153 -0.493 1.00 0.00 O ATOM 908 CB ARG A 53 -14.241 7.393 -1.238 1.00 0.00 C ATOM 909 CG ARG A 53 -15.042 8.396 -0.424 1.00 0.00 C ATOM 910 CD ARG A 53 -15.546 9.540 -1.289 1.00 0.00 C ATOM 911 NE ARG A 53 -16.372 10.476 -0.531 1.00 0.00 N ATOM 912 CZ ARG A 53 -16.889 11.585 -1.049 1.00 0.00 C ATOM 913 NH1 ARG A 53 -16.666 11.895 -2.318 1.00 0.00 N ATOM 914 NH2 ARG A 53 -17.631 12.387 -0.295 1.00 0.00 N ATOM 0 H ARG A 53 -12.001 8.163 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.732 6.410 0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.651 7.930 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.930 6.748 -1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.888 7.893 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.421 8.792 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.697 10.071 -1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.124 9.138 -2.121 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.562 10.267 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.096 11.281 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.064 12.747 -2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.804 12.152 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.028 13.238 -0.693 1.00 0.00 H new ATOM 928 N ASN A 54 -12.489 5.080 -2.164 1.00 0.00 N ATOM 929 CA ASN A 54 -12.289 3.819 -2.869 1.00 0.00 C ATOM 930 C ASN A 54 -11.204 2.985 -2.194 1.00 0.00 C ATOM 931 O ASN A 54 -11.485 1.937 -1.610 1.00 0.00 O ATOM 932 CB ASN A 54 -11.914 4.080 -4.328 1.00 0.00 C ATOM 933 CG ASN A 54 -13.128 4.322 -5.204 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.776 3.380 -5.660 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.442 5.590 -5.443 1.00 0.00 N ATOM 0 H ASN A 54 -12.065 5.889 -2.618 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.225 3.261 -2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.253 4.945 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.355 3.228 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.249 5.815 -6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.876 6.339 -5.044 1.00 0.00 H new ATOM 942 N LEU A 55 -9.966 3.457 -2.278 1.00 0.00 N ATOM 943 CA LEU A 55 -8.837 2.756 -1.675 1.00 0.00 C ATOM 944 C LEU A 55 -9.269 2.010 -0.416 1.00 0.00 C ATOM 945 O LEU A 55 -8.901 0.853 -0.210 1.00 0.00 O ATOM 946 CB LEU A 55 -7.719 3.743 -1.338 1.00 0.00 C ATOM 947 CG LEU A 55 -7.135 4.524 -2.516 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.762 5.075 -2.164 1.00 0.00 C ATOM 949 CD2 LEU A 55 -7.057 3.643 -3.754 1.00 0.00 C ATOM 0 H LEU A 55 -9.718 4.322 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.465 2.029 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.100 4.457 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.910 3.194 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.795 5.364 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.363 5.628 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.847 5.741 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.091 4.251 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.639 4.215 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.419 2.783 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.057 3.299 -4.019 1.00 0.00 H new ATOM 961 N HIS A 56 -10.054 2.680 0.422 1.00 0.00 N ATOM 962 CA HIS A 56 -10.539 2.079 1.660 1.00 0.00 C ATOM 963 C HIS A 56 -11.058 0.666 1.411 1.00 0.00 C ATOM 964 O HIS A 56 -11.963 0.459 0.603 1.00 0.00 O ATOM 965 CB HIS A 56 -11.645 2.941 2.270 1.00 0.00 C ATOM 966 CG HIS A 56 -11.762 2.801 3.757 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.699 2.462 4.566 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.825 2.959 4.580 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.103 2.415 5.823 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.389 2.713 5.859 1.00 0.00 N ATOM 0 H HIS A 56 -10.368 3.638 0.267 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.705 2.023 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.456 3.986 2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.597 2.673 1.812 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.829 3.228 4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.486 2.174 6.676 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.965 2.754 6.700 1.00 0.00 H new ATOM 978 N HIS A 57 -10.478 -0.304 2.112 1.00 0.00 N ATOM 979 CA HIS A 57 -10.881 -1.698 1.967 1.00 0.00 C ATOM 980 C HIS A 57 -10.701 -2.169 0.527 1.00 0.00 C ATOM 981 O HIS A 57 -11.515 -2.930 0.005 1.00 0.00 O ATOM 982 CB HIS A 57 -12.338 -1.876 2.395 1.00 0.00 C ATOM 983 CG HIS A 57 -12.556 -1.701 3.866 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.298 -2.579 4.627 1.00 0.00 N ATOM 985 CD2 HIS A 57 -12.123 -0.741 4.717 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.313 -2.167 5.882 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.607 -1.054 5.964 1.00 0.00 N ATOM 0 H HIS A 57 -9.728 -0.150 2.786 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.244 -2.304 2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.956 -1.158 1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.675 -2.870 2.102 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.511 0.112 4.463 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.817 -2.657 6.702 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.447 -0.515 6.815 1.00 0.00 H new ATOM 995 N TYR A 58 -9.629 -1.710 -0.110 1.00 0.00 N ATOM 996 CA TYR A 58 -9.343 -2.082 -1.491 1.00 0.00 C ATOM 997 C TYR A 58 -8.630 -3.430 -1.556 1.00 0.00 C ATOM 998 O TYR A 58 -7.894 -3.801 -0.642 1.00 0.00 O ATOM 999 CB TYR A 58 -8.488 -1.008 -2.164 1.00 0.00 C ATOM 1000 CG TYR A 58 -8.044 -1.374 -3.562 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.870 -2.086 -3.775 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.800 -1.010 -4.670 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.461 -2.423 -5.051 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -8.399 -1.344 -5.949 1.00 0.00 C ATOM 1005 CZ TYR A 58 -7.228 -2.050 -6.134 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.825 -2.384 -7.407 1.00 0.00 O ATOM 0 H TYR A 58 -8.944 -1.080 0.308 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.292 -2.167 -2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.054 -0.077 -2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.607 -0.819 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.267 -2.381 -2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.717 -0.457 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.545 -2.976 -5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.999 -1.054 -6.799 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.478 -2.047 -8.056 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.855 -4.158 -2.644 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.234 -5.464 -2.832 1.00 0.00 C ATOM 1018 C LYS A 59 -6.889 -5.331 -3.540 1.00 0.00 C ATOM 1019 O LYS A 59 -6.830 -5.204 -4.764 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.158 -6.379 -3.639 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.826 -7.855 -3.500 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.935 -8.731 -4.058 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.681 -10.203 -3.769 1.00 0.00 C ATOM 1024 NZ LYS A 59 -9.785 -10.508 -2.315 1.00 0.00 N ATOM 0 H LYS A 59 -9.463 -3.866 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.065 -5.903 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.187 -6.215 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.103 -6.100 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.894 -8.070 -4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.665 -8.095 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.889 -8.433 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.014 -8.579 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.399 -10.811 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.689 -10.478 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.843 -11.538 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.946 -10.141 -1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.639 -10.059 -1.926 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.812 -5.361 -2.763 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.467 -5.245 -3.316 1.00 0.00 C ATOM 1040 C LEU A 60 -3.649 -6.500 -3.027 1.00 0.00 C ATOM 1041 O LEU A 60 -2.980 -6.594 -1.997 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.761 -4.018 -2.737 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.379 -3.706 -3.312 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.497 -3.195 -4.740 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.655 -2.691 -2.439 1.00 0.00 C ATOM 0 H LEU A 60 -5.844 -5.465 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.554 -5.131 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.401 -3.149 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.662 -4.155 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.796 -4.627 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.503 -2.978 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.974 -3.954 -5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.098 -2.286 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.673 -2.481 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.236 -1.770 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.537 -3.095 -1.433 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.706 -7.461 -3.943 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.968 -8.710 -3.788 1.00 0.00 C ATOM 1059 C HIS A 61 -3.633 -9.608 -2.749 1.00 0.00 C ATOM 1060 O HIS A 61 -2.966 -10.163 -1.877 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.522 -8.425 -3.383 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.928 -7.237 -4.075 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -1.279 -6.858 -5.354 1.00 0.00 N ATOM 1064 CD2 HIS A 61 -0.004 -6.340 -3.659 1.00 0.00 C ATOM 1065 CE1 HIS A 61 -0.595 -5.780 -5.695 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.186 -5.445 -4.683 1.00 0.00 N ATOM 0 H HIS A 61 -4.255 -7.399 -4.800 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.973 -9.228 -4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.480 -8.266 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.913 -9.303 -3.599 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.492 -6.330 -2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.663 -5.261 -6.640 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.826 -4.651 -4.665 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.951 -9.745 -2.848 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.684 -10.576 -1.910 1.00 0.00 C ATOM 1076 C GLY A 62 -5.645 -10.028 -0.498 1.00 0.00 C ATOM 1077 O GLY A 62 -5.597 -10.788 0.470 1.00 0.00 O ATOM 0 H GLY A 62 -5.525 -9.295 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.721 -10.659 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.266 -11.583 -1.918 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.664 -8.704 -0.377 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.630 -8.055 0.928 1.00 0.00 C ATOM 1083 C VAL A 63 -6.589 -6.871 0.978 1.00 0.00 C ATOM 1084 O VAL A 63 -6.824 -6.207 -0.030 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.211 -7.566 1.275 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.898 -6.271 0.542 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.062 -7.387 2.778 1.00 0.00 C ATOM 0 H VAL A 63 -5.703 -8.060 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.939 -8.801 1.660 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.496 -8.321 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.892 -5.941 0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.961 -6.437 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.617 -5.505 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.054 -7.041 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.786 -6.652 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.240 -8.339 3.277 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.141 -6.613 2.160 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.075 -5.508 2.342 1.00 0.00 C ATOM 1099 C ASN A 64 -7.426 -4.369 3.121 1.00 0.00 C ATOM 1100 O ASN A 64 -7.707 -4.172 4.303 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.330 -5.990 3.073 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.077 -7.058 2.297 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -10.095 -8.226 2.687 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.697 -6.661 1.192 1.00 0.00 N ATOM 0 H ASN A 64 -6.958 -7.154 3.005 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.356 -5.136 1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.049 -6.384 4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.992 -5.143 3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.215 -7.335 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.655 -5.682 0.907 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.557 -3.621 2.449 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.869 -2.500 3.078 1.00 0.00 C ATOM 1113 C ILE A 65 -6.862 -1.521 3.695 1.00 0.00 C ATOM 1114 O ILE A 65 -8.025 -1.469 3.298 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.982 -1.746 2.069 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.845 -1.092 0.988 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -3.968 -2.693 1.444 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.106 -0.055 0.171 1.00 0.00 C ATOM 0 H ILE A 65 -6.313 -3.771 1.470 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.239 -2.918 3.863 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.440 -0.962 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.225 -1.865 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.710 -0.624 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.349 -2.146 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.336 -3.117 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.492 -3.496 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.779 0.367 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.749 0.739 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.257 -0.522 -0.328 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.394 -0.746 4.668 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.241 0.233 5.339 1.00 0.00 C ATOM 1132 C ASN A 66 -6.714 1.648 5.122 1.00 0.00 C ATOM 1133 O ASN A 66 -5.541 1.930 5.369 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.319 -0.071 6.837 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.168 -1.291 7.136 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.387 -1.268 6.969 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.525 -2.364 7.582 1.00 0.00 N ATOM 0 H ASN A 66 -5.433 -0.777 5.009 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.241 0.167 4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.313 -0.228 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.732 0.792 7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.043 -3.215 7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.513 -2.337 7.705 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.589 2.536 4.660 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.214 3.922 4.412 1.00 0.00 C ATOM 1146 C VAL A 67 -7.967 4.870 5.338 1.00 0.00 C ATOM 1147 O VAL A 67 -9.184 4.772 5.485 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.487 4.325 2.950 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.793 5.637 2.619 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -7.042 3.222 2.002 1.00 0.00 C ATOM 0 H VAL A 67 -8.563 2.319 4.450 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.145 4.000 4.609 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.560 4.469 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.997 5.905 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.166 6.422 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.718 5.526 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.242 3.523 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.974 3.044 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.591 2.307 2.225 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.233 5.788 5.960 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.833 6.754 6.873 1.00 0.00 C ATOM 1162 C GLU A 68 -6.939 7.981 7.032 1.00 0.00 C ATOM 1163 O GLU A 68 -5.743 7.861 7.295 1.00 0.00 O ATOM 1164 CB GLU A 68 -8.082 6.111 8.240 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.822 5.578 8.900 1.00 0.00 C ATOM 1166 CD GLU A 68 -7.042 5.191 10.350 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.700 4.159 10.595 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -6.555 5.921 11.238 1.00 0.00 O ATOM 0 H GLU A 68 -6.224 5.883 5.848 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.786 7.072 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.544 6.846 8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.794 5.294 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.466 4.709 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.039 6.335 8.844 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.529 9.160 6.868 1.00 0.00 N ATOM 1176 CA ALA A 69 -6.788 10.409 6.994 1.00 0.00 C ATOM 1177 C ALA A 69 -6.036 10.470 8.319 1.00 0.00 C ATOM 1178 O ALA A 69 -6.512 9.969 9.338 1.00 0.00 O ATOM 1179 CB ALA A 69 -7.730 11.597 6.864 1.00 0.00 C ATOM 0 H ALA A 69 -8.518 9.277 6.648 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.055 10.451 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.163 12.523 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.218 11.570 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.485 11.551 7.649 1.00 0.00 H new