USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 749 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 19 ASN :FLIP amide:sc= -0.767 F(o=-2.3,f=-1.6) USER MOD Set 1.2: A 23 ASN :FLIP amide:sc= -0.818 F(o=-4.3,f=-1.6) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -37:sc= -2.14 USER MOD Single : A 22 GLN : amide:sc= -0.0655 K(o=-0.065,f=-0.92) USER MOD Single : A 24 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.52) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.38) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -118:sc= -3.49! (180deg=-6.62!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.248 USER MOD Single : A 38 ASN : amide:sc= -0.297 K(o=-0.3,f=-0.83) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 43 MET CE :methyl -123:sc= -1.04 (180deg=-3.34!) USER MOD Single : A 44 TYR OH : rot -90:sc= -0.226 USER MOD Single : A 50 SER OG : rot -85:sc= 0.711 USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -11.5! C(o=-11!,f=-17!) USER MOD Single : A 66 MET CE :methyl 166:sc= -1.81 (180deg=-2.31) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 144:sc= -0.0354 (180deg=-0.201) USER MOD Single : A 76 SER OG : rot 180:sc= 0.397 USER MOD Single : A 88 THR OG1 : rot -9:sc= 0.815 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc=-0.00442 F(o=-0.77,f=-0.0044) USER MOD Single : A 97 LYS NZ :NH3+ 156:sc= -0.0565 (180deg=-0.332) USER MOD Single : A 102 HIS : no HD1:sc= -7.98! C(o=-8!,f=-9.1!) USER MOD Single : A 104 LYS NZ :NH3+ 179:sc= -0.135 (180deg=-0.136) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 7 183.659 -5.315 12.209 1.00 0.00 N ATOM 76 CA SER A 7 184.587 -5.195 11.090 1.00 0.00 C ATOM 77 C SER A 7 184.063 -5.944 9.868 1.00 0.00 C ATOM 78 O SER A 7 184.210 -5.485 8.736 1.00 0.00 O ATOM 79 CB SER A 7 185.964 -5.734 11.482 1.00 0.00 C ATOM 80 OG SER A 7 185.988 -7.151 11.440 1.00 0.00 O ATOM 0 HA SER A 7 184.678 -4.139 10.836 1.00 0.00 H new ATOM 0 HB2 SER A 7 186.720 -5.334 10.807 1.00 0.00 H new ATOM 0 HB3 SER A 7 186.220 -5.392 12.485 1.00 0.00 H new ATOM 0 HG SER A 7 186.879 -7.471 11.693 1.00 0.00 H new ATOM 86 N THR A 8 183.452 -7.100 10.108 1.00 0.00 N ATOM 87 CA THR A 8 182.904 -7.915 9.031 1.00 0.00 C ATOM 88 C THR A 8 181.791 -7.172 8.300 1.00 0.00 C ATOM 89 O THR A 8 181.621 -7.322 7.091 1.00 0.00 O ATOM 90 CB THR A 8 182.374 -9.239 9.583 1.00 0.00 C ATOM 91 OG1 THR A 8 183.360 -9.886 10.367 1.00 0.00 O ATOM 92 CG2 THR A 8 181.937 -10.205 8.504 1.00 0.00 C ATOM 0 H THR A 8 183.324 -7.493 11.040 1.00 0.00 H new ATOM 0 HA THR A 8 183.705 -8.122 8.321 1.00 0.00 H new ATOM 0 HB THR A 8 181.504 -8.974 10.184 1.00 0.00 H new ATOM 0 HG1 THR A 8 183.001 -10.730 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 8 181.572 -11.123 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 8 181.140 -9.754 7.913 1.00 0.00 H new ATOM 0 HG23 THR A 8 182.783 -10.435 7.857 1.00 0.00 H new ATOM 100 N ALA A 9 181.038 -6.369 9.042 1.00 0.00 N ATOM 101 CA ALA A 9 179.942 -5.600 8.464 1.00 0.00 C ATOM 102 C ALA A 9 180.439 -4.712 7.327 1.00 0.00 C ATOM 103 O ALA A 9 179.698 -4.410 6.392 1.00 0.00 O ATOM 104 CB ALA A 9 179.263 -4.761 9.535 1.00 0.00 C ATOM 0 H ALA A 9 181.166 -6.233 10.045 1.00 0.00 H new ATOM 0 HA ALA A 9 179.214 -6.300 8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 9 178.447 -4.192 9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 9 178.867 -5.414 10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 9 179.987 -4.074 9.972 1.00 0.00 H new ATOM 110 N LEU A 10 181.699 -4.299 7.415 1.00 0.00 N ATOM 111 CA LEU A 10 182.299 -3.447 6.395 1.00 0.00 C ATOM 112 C LEU A 10 182.555 -4.234 5.115 1.00 0.00 C ATOM 113 O LEU A 10 182.170 -3.806 4.027 1.00 0.00 O ATOM 114 CB LEU A 10 183.606 -2.841 6.914 1.00 0.00 C ATOM 115 CG LEU A 10 184.438 -2.089 5.872 1.00 0.00 C ATOM 116 CD1 LEU A 10 183.772 -0.772 5.506 1.00 0.00 C ATOM 117 CD2 LEU A 10 185.848 -1.849 6.390 1.00 0.00 C ATOM 0 H LEU A 10 182.325 -4.541 8.183 1.00 0.00 H new ATOM 0 HA LEU A 10 181.601 -2.641 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 10 183.371 -2.157 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 10 184.216 -3.641 7.334 1.00 0.00 H new ATOM 0 HG LEU A 10 184.501 -2.702 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 10 184.378 -0.252 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 10 182.782 -0.967 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 10 183.678 -0.152 6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 10 186.426 -1.313 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 10 185.804 -1.256 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 10 186.326 -2.806 6.601 1.00 0.00 H new ATOM 129 N ARG A 11 183.200 -5.388 5.249 1.00 0.00 N ATOM 130 CA ARG A 11 183.496 -6.230 4.096 1.00 0.00 C ATOM 131 C ARG A 11 182.219 -6.549 3.322 1.00 0.00 C ATOM 132 O ARG A 11 182.260 -6.841 2.128 1.00 0.00 O ATOM 133 CB ARG A 11 184.186 -7.525 4.540 1.00 0.00 C ATOM 134 CG ARG A 11 183.272 -8.495 5.274 1.00 0.00 C ATOM 135 CD ARG A 11 183.487 -9.926 4.807 1.00 0.00 C ATOM 136 NE ARG A 11 182.248 -10.700 4.827 1.00 0.00 N ATOM 137 CZ ARG A 11 182.204 -12.030 4.796 1.00 0.00 C ATOM 138 NH1 ARG A 11 183.326 -12.737 4.743 1.00 0.00 N ATOM 139 NH2 ARG A 11 181.035 -12.655 4.818 1.00 0.00 N ATOM 0 H ARG A 11 183.527 -5.760 6.141 1.00 0.00 H new ATOM 0 HA ARG A 11 184.172 -5.684 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 11 184.598 -8.024 3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 11 185.026 -7.273 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 11 183.457 -8.430 6.346 1.00 0.00 H new ATOM 0 HG3 ARG A 11 182.232 -8.211 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 11 183.895 -9.920 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 11 184.226 -10.409 5.446 1.00 0.00 H new ATOM 0 HE ARG A 11 181.365 -10.191 4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 11 184.228 -12.261 4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 11 183.286 -13.756 4.719 1.00 0.00 H new ATOM 0 HH21 ARG A 11 180.170 -12.117 4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 11 181.001 -13.674 4.794 1.00 0.00 H new ATOM 153 N GLU A 12 181.084 -6.490 4.014 1.00 0.00 N ATOM 154 CA GLU A 12 179.795 -6.770 3.396 1.00 0.00 C ATOM 155 C GLU A 12 179.431 -5.694 2.378 1.00 0.00 C ATOM 156 O GLU A 12 179.176 -5.996 1.213 1.00 0.00 O ATOM 157 CB GLU A 12 178.705 -6.867 4.464 1.00 0.00 C ATOM 158 CG GLU A 12 178.534 -8.265 5.034 1.00 0.00 C ATOM 159 CD GLU A 12 177.148 -8.498 5.603 1.00 0.00 C ATOM 160 OE1 GLU A 12 176.160 -8.237 4.885 1.00 0.00 O ATOM 161 OE2 GLU A 12 177.051 -8.941 6.767 1.00 0.00 O ATOM 0 H GLU A 12 181.033 -6.250 5.004 1.00 0.00 H new ATOM 0 HA GLU A 12 179.871 -7.724 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 12 178.941 -6.179 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 12 177.758 -6.540 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 12 178.729 -8.999 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 12 179.276 -8.428 5.816 1.00 0.00 H new ATOM 168 N LEU A 13 179.403 -4.439 2.820 1.00 0.00 N ATOM 169 CA LEU A 13 179.062 -3.335 1.936 1.00 0.00 C ATOM 170 C LEU A 13 180.148 -3.123 0.886 1.00 0.00 C ATOM 171 O LEU A 13 179.867 -2.711 -0.241 1.00 0.00 O ATOM 172 CB LEU A 13 178.862 -2.058 2.752 1.00 0.00 C ATOM 173 CG LEU A 13 177.399 -1.692 3.012 1.00 0.00 C ATOM 174 CD1 LEU A 13 177.143 -1.508 4.501 1.00 0.00 C ATOM 175 CD2 LEU A 13 177.017 -0.436 2.243 1.00 0.00 C ATOM 0 H LEU A 13 179.612 -4.165 3.780 1.00 0.00 H new ATOM 0 HA LEU A 13 178.134 -3.580 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 179.371 -2.171 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 13 179.343 -1.230 2.231 1.00 0.00 H new ATOM 0 HG LEU A 13 176.775 -2.514 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 13 176.097 -1.248 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 13 177.371 -2.435 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 13 177.778 -0.709 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 13 175.973 -0.192 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 13 177.650 0.392 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 13 177.154 -0.607 1.175 1.00 0.00 H new ATOM 187 N ILE A 14 181.388 -3.405 1.267 1.00 0.00 N ATOM 188 CA ILE A 14 182.520 -3.240 0.370 1.00 0.00 C ATOM 189 C ILE A 14 182.477 -4.244 -0.780 1.00 0.00 C ATOM 190 O ILE A 14 182.522 -3.857 -1.940 1.00 0.00 O ATOM 191 CB ILE A 14 183.856 -3.378 1.140 1.00 0.00 C ATOM 192 CG1 ILE A 14 184.381 -1.998 1.539 1.00 0.00 C ATOM 193 CG2 ILE A 14 184.897 -4.126 0.317 1.00 0.00 C ATOM 194 CD1 ILE A 14 183.441 -1.232 2.444 1.00 0.00 C ATOM 0 H ILE A 14 181.633 -3.750 2.195 1.00 0.00 H new ATOM 0 HA ILE A 14 182.455 -2.237 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 14 183.666 -3.959 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 14 185.341 -2.115 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 14 184.562 -1.413 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 14 185.823 -4.205 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 14 184.528 -5.125 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 14 185.086 -3.584 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 14 183.878 -0.263 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 14 182.488 -1.084 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 14 183.279 -1.797 3.362 1.00 0.00 H new ATOM 206 N GLU A 15 182.416 -5.529 -0.450 1.00 0.00 N ATOM 207 CA GLU A 15 182.399 -6.583 -1.464 1.00 0.00 C ATOM 208 C GLU A 15 181.110 -6.581 -2.282 1.00 0.00 C ATOM 209 O GLU A 15 181.121 -6.913 -3.466 1.00 0.00 O ATOM 210 CB GLU A 15 182.590 -7.951 -0.808 1.00 0.00 C ATOM 211 CG GLU A 15 183.762 -8.002 0.157 1.00 0.00 C ATOM 212 CD GLU A 15 185.061 -8.386 -0.523 1.00 0.00 C ATOM 213 OE1 GLU A 15 185.004 -9.007 -1.605 1.00 0.00 O ATOM 214 OE2 GLU A 15 186.136 -8.064 0.025 1.00 0.00 O ATOM 0 H GLU A 15 182.377 -5.869 0.511 1.00 0.00 H new ATOM 0 HA GLU A 15 183.224 -6.382 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 15 181.678 -8.220 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 15 182.737 -8.701 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 15 183.879 -7.028 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 15 183.545 -8.719 0.949 1.00 0.00 H new ATOM 221 N GLU A 16 180.003 -6.222 -1.650 1.00 0.00 N ATOM 222 CA GLU A 16 178.715 -6.195 -2.328 1.00 0.00 C ATOM 223 C GLU A 16 178.649 -5.065 -3.349 1.00 0.00 C ATOM 224 O GLU A 16 178.280 -5.269 -4.512 1.00 0.00 O ATOM 225 CB GLU A 16 177.605 -6.019 -1.301 1.00 0.00 C ATOM 226 CG GLU A 16 176.244 -6.479 -1.790 1.00 0.00 C ATOM 227 CD GLU A 16 175.374 -7.021 -0.672 1.00 0.00 C ATOM 228 OE1 GLU A 16 175.558 -6.590 0.486 1.00 0.00 O ATOM 229 OE2 GLU A 16 174.510 -7.877 -0.954 1.00 0.00 O ATOM 0 H GLU A 16 179.970 -5.945 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 16 178.588 -7.139 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 16 177.864 -6.574 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 16 177.544 -4.967 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 16 175.734 -5.644 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 16 176.376 -7.250 -2.549 1.00 0.00 H new ATOM 236 N LEU A 17 179.014 -3.871 -2.904 1.00 0.00 N ATOM 237 CA LEU A 17 178.999 -2.704 -3.758 1.00 0.00 C ATOM 238 C LEU A 17 180.087 -2.813 -4.805 1.00 0.00 C ATOM 239 O LEU A 17 179.956 -2.294 -5.913 1.00 0.00 O ATOM 240 CB LEU A 17 179.182 -1.440 -2.922 1.00 0.00 C ATOM 241 CG LEU A 17 177.967 -1.015 -2.089 1.00 0.00 C ATOM 242 CD1 LEU A 17 177.085 -0.060 -2.880 1.00 0.00 C ATOM 243 CD2 LEU A 17 177.162 -2.224 -1.627 1.00 0.00 C ATOM 0 H LEU A 17 179.325 -3.690 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 17 178.036 -2.646 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 17 180.027 -1.590 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 17 179.447 -0.620 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 17 178.335 -0.498 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 17 176.228 0.231 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 17 177.658 0.828 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 17 176.736 -0.554 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 17 176.308 -1.889 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 17 176.809 -2.780 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 17 177.793 -2.869 -1.015 1.00 0.00 H new ATOM 255 N VAL A 18 181.159 -3.510 -4.455 1.00 0.00 N ATOM 256 CA VAL A 18 182.251 -3.699 -5.379 1.00 0.00 C ATOM 257 C VAL A 18 181.837 -4.681 -6.465 1.00 0.00 C ATOM 258 O VAL A 18 182.229 -4.556 -7.624 1.00 0.00 O ATOM 259 CB VAL A 18 183.539 -4.182 -4.666 1.00 0.00 C ATOM 260 CG1 VAL A 18 183.760 -5.680 -4.833 1.00 0.00 C ATOM 261 CG2 VAL A 18 184.746 -3.405 -5.168 1.00 0.00 C ATOM 0 H VAL A 18 181.289 -3.948 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 18 182.482 -2.734 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 18 183.412 -3.992 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 18 184.674 -5.973 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 18 182.915 -6.222 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 18 183.850 -5.919 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 18 185.643 -3.756 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 18 184.856 -3.558 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 18 184.605 -2.343 -4.965 1.00 0.00 H new ATOM 271 N ASN A 19 181.025 -5.652 -6.066 1.00 0.00 N ATOM 272 CA ASN A 19 180.526 -6.667 -6.980 1.00 0.00 C ATOM 273 C ASN A 19 179.619 -6.044 -8.035 1.00 0.00 C ATOM 274 O ASN A 19 179.797 -6.276 -9.230 1.00 0.00 O ATOM 275 CB ASN A 19 179.765 -7.745 -6.207 1.00 0.00 C ATOM 276 CG ASN A 19 179.624 -9.032 -6.994 1.00 0.00 C ATOM 277 OD1 ASN A 19 178.412 -9.313 -7.457 1.00 0.00 O flip ATOM 278 ND2 ASN A 19 180.594 -9.767 -7.185 1.00 0.00 N flip ATOM 0 H ASN A 19 180.697 -5.756 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 19 181.378 -7.124 -7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 19 180.283 -7.950 -5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 19 178.775 -7.371 -5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 19 181.508 -9.513 -6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 19 180.483 -10.630 -7.717 1.00 0.00 H new ATOM 285 N ILE A 20 178.640 -5.256 -7.592 1.00 0.00 N ATOM 286 CA ILE A 20 177.716 -4.615 -8.505 1.00 0.00 C ATOM 287 C ILE A 20 178.420 -3.595 -9.397 1.00 0.00 C ATOM 288 O ILE A 20 178.117 -3.483 -10.585 1.00 0.00 O ATOM 289 CB ILE A 20 176.585 -3.920 -7.731 1.00 0.00 C ATOM 290 CG1 ILE A 20 177.134 -2.768 -6.880 1.00 0.00 C ATOM 291 CG2 ILE A 20 175.835 -4.929 -6.870 1.00 0.00 C ATOM 292 CD1 ILE A 20 176.179 -2.289 -5.805 1.00 0.00 C ATOM 0 H ILE A 20 178.473 -5.051 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 20 177.297 -5.397 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 20 175.883 -3.496 -8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 178.064 -3.088 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 20 177.379 -1.931 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 20 175.037 -4.422 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 20 175.407 -5.703 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 20 176.524 -5.384 -6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 20 176.639 -1.474 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 20 175.257 -1.937 -6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 20 175.953 -3.111 -5.126 1.00 0.00 H new ATOM 304 N THR A 21 179.351 -2.847 -8.815 1.00 0.00 N ATOM 305 CA THR A 21 180.087 -1.826 -9.557 1.00 0.00 C ATOM 306 C THR A 21 181.229 -2.423 -10.384 1.00 0.00 C ATOM 307 O THR A 21 181.915 -1.700 -11.108 1.00 0.00 O ATOM 308 CB THR A 21 180.643 -0.774 -8.592 1.00 0.00 C ATOM 309 OG1 THR A 21 181.162 0.334 -9.304 1.00 0.00 O ATOM 310 CG2 THR A 21 181.746 -1.299 -7.699 1.00 0.00 C ATOM 0 H THR A 21 179.615 -2.927 -7.833 1.00 0.00 H new ATOM 0 HA THR A 21 179.386 -1.360 -10.250 1.00 0.00 H new ATOM 0 HB THR A 21 179.799 -0.485 -7.966 1.00 0.00 H new ATOM 0 HG1 THR A 21 181.596 0.021 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 21 182.093 -0.501 -7.042 1.00 0.00 H new ATOM 0 HG22 THR A 21 181.365 -2.125 -7.098 1.00 0.00 H new ATOM 0 HG23 THR A 21 182.576 -1.650 -8.313 1.00 0.00 H new ATOM 318 N GLN A 22 181.442 -3.733 -10.275 1.00 0.00 N ATOM 319 CA GLN A 22 182.517 -4.388 -11.020 1.00 0.00 C ATOM 320 C GLN A 22 181.982 -5.469 -11.956 1.00 0.00 C ATOM 321 O GLN A 22 182.559 -5.725 -13.013 1.00 0.00 O ATOM 322 CB GLN A 22 183.534 -5.002 -10.057 1.00 0.00 C ATOM 323 CG GLN A 22 184.319 -3.972 -9.262 1.00 0.00 C ATOM 324 CD GLN A 22 185.720 -3.762 -9.802 1.00 0.00 C ATOM 325 OE1 GLN A 22 186.003 -4.067 -10.961 1.00 0.00 O ATOM 326 NE2 GLN A 22 186.606 -3.238 -8.963 1.00 0.00 N ATOM 0 H GLN A 22 180.891 -4.357 -9.685 1.00 0.00 H new ATOM 0 HA GLN A 22 183.002 -3.624 -11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 22 183.013 -5.663 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 22 184.231 -5.620 -10.623 1.00 0.00 H new ATOM 0 HG2 GLN A 22 183.783 -3.023 -9.275 1.00 0.00 H new ATOM 0 HG3 GLN A 22 184.379 -4.290 -8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 22 186.328 -3.000 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 22 187.564 -3.073 -9.271 1.00 0.00 H new ATOM 335 N ASN A 23 180.888 -6.111 -11.560 1.00 0.00 N ATOM 336 CA ASN A 23 180.292 -7.175 -12.363 1.00 0.00 C ATOM 337 C ASN A 23 180.106 -6.745 -13.819 1.00 0.00 C ATOM 338 O ASN A 23 180.959 -7.015 -14.665 1.00 0.00 O ATOM 339 CB ASN A 23 178.954 -7.609 -11.759 1.00 0.00 C ATOM 340 CG ASN A 23 179.054 -8.935 -11.040 1.00 0.00 C ATOM 341 OD1 ASN A 23 179.634 -8.909 -9.850 1.00 0.00 O flip ATOM 342 ND2 ASN A 23 178.617 -9.968 -11.547 1.00 0.00 N flip ATOM 0 H ASN A 23 180.396 -5.914 -10.689 1.00 0.00 H new ATOM 0 HA ASN A 23 180.977 -8.022 -12.354 1.00 0.00 H new ATOM 0 HB2 ASN A 23 178.607 -6.846 -11.063 1.00 0.00 H new ATOM 0 HB3 ASN A 23 178.207 -7.682 -12.550 1.00 0.00 H new ATOM 0 HD21 ASN A 23 178.178 -9.938 -12.467 1.00 0.00 H new ATOM 0 HD22 ASN A 23 178.694 -10.854 -11.047 1.00 0.00 H new ATOM 349 N GLN A 24 178.988 -6.086 -14.110 1.00 0.00 N ATOM 350 CA GLN A 24 178.702 -5.636 -15.466 1.00 0.00 C ATOM 351 C GLN A 24 178.782 -4.118 -15.580 1.00 0.00 C ATOM 352 O GLN A 24 178.152 -3.393 -14.809 1.00 0.00 O ATOM 353 CB GLN A 24 177.324 -6.119 -15.896 1.00 0.00 C ATOM 354 CG GLN A 24 177.370 -7.437 -16.643 1.00 0.00 C ATOM 355 CD GLN A 24 178.309 -7.405 -17.834 1.00 0.00 C ATOM 356 OE1 GLN A 24 177.959 -6.900 -18.901 1.00 0.00 O ATOM 357 NE2 GLN A 24 179.508 -7.947 -17.657 1.00 0.00 N ATOM 0 H GLN A 24 178.268 -5.853 -13.426 1.00 0.00 H new ATOM 0 HA GLN A 24 179.458 -6.062 -16.126 1.00 0.00 H new ATOM 0 HB2 GLN A 24 176.691 -6.228 -15.015 1.00 0.00 H new ATOM 0 HB3 GLN A 24 176.861 -5.363 -16.530 1.00 0.00 H new ATOM 0 HG2 GLN A 24 177.684 -8.226 -15.960 1.00 0.00 H new ATOM 0 HG3 GLN A 24 176.366 -7.691 -16.984 1.00 0.00 H new ATOM 0 HE21 GLN A 24 179.755 -8.354 -16.755 1.00 0.00 H new ATOM 0 HE22 GLN A 24 180.182 -7.956 -18.423 1.00 0.00 H new ATOM 366 N LYS A 25 179.555 -3.643 -16.552 1.00 0.00 N ATOM 367 CA LYS A 25 179.708 -2.210 -16.772 1.00 0.00 C ATOM 368 C LYS A 25 178.391 -1.600 -17.238 1.00 0.00 C ATOM 369 O LYS A 25 178.060 -0.467 -16.891 1.00 0.00 O ATOM 370 CB LYS A 25 180.806 -1.945 -17.805 1.00 0.00 C ATOM 371 CG LYS A 25 181.710 -0.778 -17.444 1.00 0.00 C ATOM 372 CD LYS A 25 182.969 -1.247 -16.733 1.00 0.00 C ATOM 373 CE LYS A 25 183.530 -0.167 -15.822 1.00 0.00 C ATOM 374 NZ LYS A 25 184.206 -0.744 -14.628 1.00 0.00 N ATOM 0 H LYS A 25 180.084 -4.229 -17.198 1.00 0.00 H new ATOM 0 HA LYS A 25 179.994 -1.744 -15.829 1.00 0.00 H new ATOM 0 HB2 LYS A 25 181.413 -2.843 -17.917 1.00 0.00 H new ATOM 0 HB3 LYS A 25 180.344 -1.750 -18.773 1.00 0.00 H new ATOM 0 HG2 LYS A 25 181.983 -0.235 -18.349 1.00 0.00 H new ATOM 0 HG3 LYS A 25 181.168 -0.081 -16.805 1.00 0.00 H new ATOM 0 HD2 LYS A 25 182.746 -2.139 -16.147 1.00 0.00 H new ATOM 0 HD3 LYS A 25 183.721 -1.529 -17.470 1.00 0.00 H new ATOM 0 HE2 LYS A 25 184.238 0.446 -16.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 182.723 0.491 -15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 184.575 0.025 -14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 183.524 -1.308 -14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 184.992 -1.352 -14.934 1.00 0.00 H new ATOM 388 N ALA A 26 177.643 -2.368 -18.025 1.00 0.00 N ATOM 389 CA ALA A 26 176.359 -1.922 -18.541 1.00 0.00 C ATOM 390 C ALA A 26 175.440 -1.474 -17.408 1.00 0.00 C ATOM 391 O ALA A 26 175.798 -1.568 -16.234 1.00 0.00 O ATOM 392 CB ALA A 26 175.711 -3.036 -19.349 1.00 0.00 C ATOM 0 H ALA A 26 177.909 -3.308 -18.319 1.00 0.00 H new ATOM 0 HA ALA A 26 176.526 -1.064 -19.192 1.00 0.00 H new ATOM 0 HB1 ALA A 26 174.749 -2.695 -19.733 1.00 0.00 H new ATOM 0 HB2 ALA A 26 176.359 -3.305 -20.183 1.00 0.00 H new ATOM 0 HB3 ALA A 26 175.559 -3.907 -18.711 1.00 0.00 H new ATOM 398 N PRO A 27 174.243 -0.973 -17.746 1.00 0.00 N ATOM 399 CA PRO A 27 173.268 -0.498 -16.765 1.00 0.00 C ATOM 400 C PRO A 27 172.441 -1.621 -16.156 1.00 0.00 C ATOM 401 O PRO A 27 172.570 -2.783 -16.541 1.00 0.00 O ATOM 402 CB PRO A 27 172.399 0.422 -17.599 1.00 0.00 C ATOM 403 CG PRO A 27 172.337 -0.305 -18.874 1.00 0.00 C ATOM 404 CD PRO A 27 173.732 -0.812 -19.117 1.00 0.00 C ATOM 0 HA PRO A 27 173.739 -0.021 -15.906 1.00 0.00 H new ATOM 0 HB2 PRO A 27 171.412 0.563 -17.159 1.00 0.00 H new ATOM 0 HB3 PRO A 27 172.841 1.412 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO A 27 171.624 -1.128 -18.822 1.00 0.00 H new ATOM 0 HG3 PRO A 27 172.011 0.349 -19.683 1.00 0.00 H new ATOM 0 HD2 PRO A 27 173.734 -1.754 -19.666 1.00 0.00 H new ATOM 0 HD3 PRO A 27 174.328 -0.105 -19.694 1.00 0.00 H new ATOM 412 N LEU A 28 171.592 -1.263 -15.201 1.00 0.00 N ATOM 413 CA LEU A 28 170.740 -2.236 -14.531 1.00 0.00 C ATOM 414 C LEU A 28 169.287 -2.071 -14.960 1.00 0.00 C ATOM 415 O LEU A 28 168.677 -1.026 -14.733 1.00 0.00 O ATOM 416 CB LEU A 28 170.856 -2.086 -13.012 1.00 0.00 C ATOM 417 CG LEU A 28 170.752 -3.393 -12.223 1.00 0.00 C ATOM 418 CD1 LEU A 28 171.796 -4.389 -12.702 1.00 0.00 C ATOM 419 CD2 LEU A 28 170.910 -3.128 -10.734 1.00 0.00 C ATOM 0 H LEU A 28 171.475 -0.304 -14.873 1.00 0.00 H new ATOM 0 HA LEU A 28 171.074 -3.233 -14.817 1.00 0.00 H new ATOM 0 HB2 LEU A 28 171.811 -1.614 -12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 28 170.074 -1.408 -12.668 1.00 0.00 H new ATOM 0 HG LEU A 28 169.765 -3.822 -12.394 1.00 0.00 H new ATOM 0 HD11 LEU A 28 171.707 -5.313 -12.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 171.639 -4.601 -13.760 1.00 0.00 H new ATOM 0 HD13 LEU A 28 172.792 -3.969 -12.560 1.00 0.00 H new ATOM 0 HD21 LEU A 28 170.834 -4.068 -10.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 171.884 -2.677 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 28 170.125 -2.449 -10.400 1.00 0.00 H new ATOM 431 N CYS A 29 168.738 -3.109 -15.581 1.00 0.00 N ATOM 432 CA CYS A 29 167.355 -3.079 -16.041 1.00 0.00 C ATOM 433 C CYS A 29 167.157 -1.995 -17.097 1.00 0.00 C ATOM 434 O CYS A 29 166.528 -0.970 -16.837 1.00 0.00 O ATOM 435 CB CYS A 29 166.409 -2.845 -14.862 1.00 0.00 C ATOM 436 SG CYS A 29 165.822 -4.375 -14.066 1.00 0.00 S ATOM 0 H CYS A 29 169.229 -3.981 -15.777 1.00 0.00 H new ATOM 0 HA CYS A 29 167.125 -4.044 -16.493 1.00 0.00 H new ATOM 0 HB2 CYS A 29 166.918 -2.233 -14.117 1.00 0.00 H new ATOM 0 HB3 CYS A 29 165.547 -2.275 -15.209 1.00 0.00 H new ATOM 441 N ASN A 30 167.704 -2.234 -18.289 1.00 0.00 N ATOM 442 CA ASN A 30 167.603 -1.296 -19.404 1.00 0.00 C ATOM 443 C ASN A 30 168.444 -0.049 -19.158 1.00 0.00 C ATOM 444 O ASN A 30 169.285 0.319 -19.978 1.00 0.00 O ATOM 445 CB ASN A 30 166.140 -0.919 -19.652 1.00 0.00 C ATOM 446 CG ASN A 30 165.982 0.181 -20.686 1.00 0.00 C ATOM 447 OD1 ASN A 30 166.746 0.260 -21.647 1.00 0.00 O ATOM 448 ND2 ASN A 30 164.986 1.038 -20.491 1.00 0.00 N ATOM 0 H ASN A 30 168.228 -3.081 -18.507 1.00 0.00 H new ATOM 0 HA ASN A 30 167.994 -1.789 -20.294 1.00 0.00 H new ATOM 0 HB2 ASN A 30 165.593 -1.802 -19.982 1.00 0.00 H new ATOM 0 HB3 ASN A 30 165.689 -0.597 -18.714 1.00 0.00 H new ATOM 0 HD21 ASN A 30 164.831 1.799 -21.152 1.00 0.00 H new ATOM 0 HD22 ASN A 30 164.376 0.935 -19.680 1.00 0.00 H new ATOM 455 N GLY A 31 168.210 0.591 -18.028 1.00 0.00 N ATOM 456 CA GLY A 31 168.947 1.792 -17.683 1.00 0.00 C ATOM 457 C GLY A 31 168.043 2.907 -17.195 1.00 0.00 C ATOM 458 O GLY A 31 168.186 4.058 -17.608 1.00 0.00 O ATOM 0 H GLY A 31 167.519 0.301 -17.336 1.00 0.00 H new ATOM 0 HA2 GLY A 31 169.678 1.556 -16.910 1.00 0.00 H new ATOM 0 HA3 GLY A 31 169.504 2.135 -18.554 1.00 0.00 H new ATOM 462 N SER A 32 167.110 2.564 -16.313 1.00 0.00 N ATOM 463 CA SER A 32 166.177 3.542 -15.767 1.00 0.00 C ATOM 464 C SER A 32 166.848 4.402 -14.702 1.00 0.00 C ATOM 465 O SER A 32 167.145 3.928 -13.605 1.00 0.00 O ATOM 466 CB SER A 32 164.961 2.837 -15.169 1.00 0.00 C ATOM 467 OG SER A 32 164.300 2.044 -16.139 1.00 0.00 O ATOM 0 H SER A 32 166.980 1.615 -15.961 1.00 0.00 H new ATOM 0 HA SER A 32 165.853 4.189 -16.582 1.00 0.00 H new ATOM 0 HB2 SER A 32 165.275 2.209 -14.335 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.269 3.577 -14.768 1.00 0.00 H new ATOM 0 HG SER A 32 163.527 1.603 -15.729 1.00 0.00 H new ATOM 473 N MET A 33 167.081 5.667 -15.029 1.00 0.00 N ATOM 474 CA MET A 33 167.713 6.590 -14.105 1.00 0.00 C ATOM 475 C MET A 33 166.917 6.697 -12.809 1.00 0.00 C ATOM 476 O MET A 33 165.758 6.287 -12.745 1.00 0.00 O ATOM 477 CB MET A 33 167.842 7.967 -14.754 1.00 0.00 C ATOM 478 CG MET A 33 168.357 7.925 -16.183 1.00 0.00 C ATOM 479 SD MET A 33 168.836 9.552 -16.795 1.00 0.00 S ATOM 480 CE MET A 33 170.622 9.423 -16.739 1.00 0.00 C ATOM 0 H MET A 33 166.839 6.075 -15.932 1.00 0.00 H new ATOM 0 HA MET A 33 168.705 6.209 -13.864 1.00 0.00 H new ATOM 0 HB2 MET A 33 166.868 8.456 -14.743 1.00 0.00 H new ATOM 0 HB3 MET A 33 168.514 8.580 -14.153 1.00 0.00 H new ATOM 0 HG2 MET A 33 169.214 7.254 -16.237 1.00 0.00 H new ATOM 0 HG3 MET A 33 167.586 7.510 -16.831 1.00 0.00 H new ATOM 0 HE1 MET A 33 171.019 10.167 -16.048 1.00 0.00 H new ATOM 0 HE2 MET A 33 170.904 8.426 -16.400 1.00 0.00 H new ATOM 0 HE3 MET A 33 171.031 9.597 -17.734 1.00 0.00 H new ATOM 490 N VAL A 34 167.545 7.254 -11.780 1.00 0.00 N ATOM 491 CA VAL A 34 166.897 7.420 -10.488 1.00 0.00 C ATOM 492 C VAL A 34 167.448 8.643 -9.773 1.00 0.00 C ATOM 493 O VAL A 34 168.443 9.226 -10.207 1.00 0.00 O ATOM 494 CB VAL A 34 167.092 6.181 -9.595 1.00 0.00 C ATOM 495 CG1 VAL A 34 166.235 5.026 -10.088 1.00 0.00 C ATOM 496 CG2 VAL A 34 168.561 5.783 -9.546 1.00 0.00 C ATOM 0 H VAL A 34 168.504 7.598 -11.817 1.00 0.00 H new ATOM 0 HA VAL A 34 165.831 7.550 -10.673 1.00 0.00 H new ATOM 0 HB VAL A 34 166.774 6.432 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 34 166.387 4.160 -9.444 1.00 0.00 H new ATOM 0 HG12 VAL A 34 165.185 5.316 -10.064 1.00 0.00 H new ATOM 0 HG13 VAL A 34 166.518 4.773 -11.110 1.00 0.00 H new ATOM 0 HG21 VAL A 34 168.679 4.906 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 34 168.909 5.551 -10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 34 169.148 6.607 -9.140 1.00 0.00 H new ATOM 506 N TRP A 35 166.805 9.037 -8.680 1.00 0.00 N ATOM 507 CA TRP A 35 167.256 10.198 -7.931 1.00 0.00 C ATOM 508 C TRP A 35 168.590 9.932 -7.261 1.00 0.00 C ATOM 509 O TRP A 35 168.680 9.162 -6.306 1.00 0.00 O ATOM 510 CB TRP A 35 166.250 10.614 -6.876 1.00 0.00 C ATOM 511 CG TRP A 35 164.848 10.651 -7.357 1.00 0.00 C ATOM 512 CD1 TRP A 35 163.817 9.912 -6.883 1.00 0.00 C ATOM 513 CD2 TRP A 35 164.315 11.482 -8.393 1.00 0.00 C ATOM 514 NE1 TRP A 35 162.673 10.226 -7.554 1.00 0.00 N ATOM 515 CE2 TRP A 35 162.948 11.186 -8.491 1.00 0.00 C ATOM 516 CE3 TRP A 35 164.861 12.446 -9.246 1.00 0.00 C ATOM 517 CZ2 TRP A 35 162.111 11.817 -9.408 1.00 0.00 C ATOM 518 CZ3 TRP A 35 164.031 13.073 -10.157 1.00 0.00 C ATOM 519 CH2 TRP A 35 162.669 12.756 -10.232 1.00 0.00 C ATOM 0 H TRP A 35 165.980 8.575 -8.298 1.00 0.00 H new ATOM 0 HA TRP A 35 167.365 11.008 -8.652 1.00 0.00 H new ATOM 0 HB2 TRP A 35 166.316 9.924 -6.035 1.00 0.00 H new ATOM 0 HB3 TRP A 35 166.520 11.601 -6.501 1.00 0.00 H new ATOM 0 HD1 TRP A 35 163.890 9.182 -6.091 1.00 0.00 H new ATOM 0 HE1 TRP A 35 161.757 9.811 -7.385 1.00 0.00 H new ATOM 0 HE3 TRP A 35 165.910 12.696 -9.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 161.060 11.574 -9.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 164.440 13.820 -10.822 1.00 0.00 H new ATOM 0 HH2 TRP A 35 162.047 13.263 -10.955 1.00 0.00 H new ATOM 530 N SER A 36 169.613 10.591 -7.776 1.00 0.00 N ATOM 531 CA SER A 36 170.978 10.467 -7.260 1.00 0.00 C ATOM 532 C SER A 36 171.002 10.417 -5.733 1.00 0.00 C ATOM 533 O SER A 36 170.050 10.832 -5.073 1.00 0.00 O ATOM 534 CB SER A 36 171.834 11.635 -7.752 1.00 0.00 C ATOM 535 OG SER A 36 173.160 11.216 -8.026 1.00 0.00 O ATOM 0 H SER A 36 169.527 11.231 -8.566 1.00 0.00 H new ATOM 0 HA SER A 36 171.388 9.529 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 36 171.391 12.061 -8.652 1.00 0.00 H new ATOM 0 HB3 SER A 36 171.847 12.423 -6.999 1.00 0.00 H new ATOM 0 HG SER A 36 173.686 11.981 -8.341 1.00 0.00 H new ATOM 541 N ILE A 37 172.099 9.903 -5.180 1.00 0.00 N ATOM 542 CA ILE A 37 172.262 9.789 -3.757 1.00 0.00 C ATOM 543 C ILE A 37 172.117 11.141 -3.067 1.00 0.00 C ATOM 544 O ILE A 37 172.245 12.191 -3.696 1.00 0.00 O ATOM 545 CB ILE A 37 173.644 9.202 -3.432 1.00 0.00 C ATOM 546 CG1 ILE A 37 173.912 7.938 -4.255 1.00 0.00 C ATOM 547 CG2 ILE A 37 173.723 8.893 -1.969 1.00 0.00 C ATOM 548 CD1 ILE A 37 173.014 6.778 -3.885 1.00 0.00 C ATOM 0 H ILE A 37 172.893 9.557 -5.719 1.00 0.00 H new ATOM 0 HA ILE A 37 171.479 9.127 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 37 174.405 9.938 -3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 37 173.780 8.167 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 37 174.952 7.640 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 37 174.703 8.476 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 37 173.573 9.808 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 37 172.951 8.170 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 37 173.258 5.916 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 37 173.163 6.523 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 37 171.973 7.058 -4.046 1.00 0.00 H new ATOM 560 N ASN A 38 171.861 11.099 -1.766 1.00 0.00 N ATOM 561 CA ASN A 38 171.708 12.311 -0.974 1.00 0.00 C ATOM 562 C ASN A 38 172.924 12.507 -0.077 1.00 0.00 C ATOM 563 O ASN A 38 172.835 12.395 1.146 1.00 0.00 O ATOM 564 CB ASN A 38 170.434 12.242 -0.130 1.00 0.00 C ATOM 565 CG ASN A 38 169.768 13.595 0.025 1.00 0.00 C ATOM 566 OD1 ASN A 38 169.502 14.045 1.139 1.00 0.00 O ATOM 567 ND2 ASN A 38 169.494 14.252 -1.096 1.00 0.00 N ATOM 0 H ASN A 38 171.755 10.234 -1.235 1.00 0.00 H new ATOM 0 HA ASN A 38 171.628 13.161 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 38 169.733 11.546 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 38 170.676 11.844 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 38 169.046 15.167 -1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 38 169.732 13.841 -1.999 1.00 0.00 H new ATOM 574 N LEU A 39 174.062 12.793 -0.699 1.00 0.00 N ATOM 575 CA LEU A 39 175.307 12.998 0.026 1.00 0.00 C ATOM 576 C LEU A 39 175.335 14.367 0.668 1.00 0.00 C ATOM 577 O LEU A 39 176.186 15.207 0.375 1.00 0.00 O ATOM 578 CB LEU A 39 176.487 12.816 -0.906 1.00 0.00 C ATOM 579 CG LEU A 39 176.599 11.408 -1.470 1.00 0.00 C ATOM 580 CD1 LEU A 39 176.386 11.418 -2.970 1.00 0.00 C ATOM 581 CD2 LEU A 39 177.936 10.801 -1.102 1.00 0.00 C ATOM 0 H LEU A 39 174.146 12.888 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 39 175.374 12.255 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 39 176.402 13.524 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 39 177.405 13.059 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 39 175.818 10.788 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 39 176.470 10.402 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 39 175.394 11.811 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 39 177.141 12.048 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 39 178.003 9.793 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 39 178.739 11.414 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 39 178.030 10.758 -0.017 1.00 0.00 H new ATOM 593 N THR A 40 174.383 14.564 1.548 1.00 0.00 N ATOM 594 CA THR A 40 174.238 15.818 2.276 1.00 0.00 C ATOM 595 C THR A 40 173.560 15.589 3.624 1.00 0.00 C ATOM 596 O THR A 40 174.009 16.100 4.650 1.00 0.00 O ATOM 597 CB THR A 40 173.431 16.822 1.451 1.00 0.00 C ATOM 598 OG1 THR A 40 172.066 16.449 1.403 1.00 0.00 O ATOM 599 CG2 THR A 40 173.921 16.954 0.025 1.00 0.00 C ATOM 0 H THR A 40 173.682 13.863 1.786 1.00 0.00 H new ATOM 0 HA THR A 40 175.234 16.223 2.454 1.00 0.00 H new ATOM 0 HB THR A 40 173.561 17.780 1.954 1.00 0.00 H new ATOM 0 HG1 THR A 40 171.566 17.104 0.872 1.00 0.00 H new ATOM 0 HG21 THR A 40 173.306 17.681 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 40 174.958 17.288 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 40 173.852 15.988 -0.474 1.00 0.00 H new ATOM 607 N ALA A 41 172.477 14.818 3.613 1.00 0.00 N ATOM 608 CA ALA A 41 171.738 14.521 4.834 1.00 0.00 C ATOM 609 C ALA A 41 171.389 13.038 4.919 1.00 0.00 C ATOM 610 O ALA A 41 172.057 12.273 5.615 1.00 0.00 O ATOM 611 CB ALA A 41 170.477 15.369 4.907 1.00 0.00 C ATOM 0 H ALA A 41 172.092 14.388 2.772 1.00 0.00 H new ATOM 0 HA ALA A 41 172.376 14.765 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 41 169.935 15.137 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 41 170.748 16.425 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 41 169.843 15.154 4.047 1.00 0.00 H new ATOM 617 N GLY A 42 170.341 12.638 4.206 1.00 0.00 N ATOM 618 CA GLY A 42 169.925 11.247 4.215 1.00 0.00 C ATOM 619 C GLY A 42 170.232 10.544 2.910 1.00 0.00 C ATOM 620 O GLY A 42 169.361 10.398 2.052 1.00 0.00 O ATOM 0 H GLY A 42 169.773 13.252 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 42 170.425 10.726 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 42 168.854 11.192 4.411 1.00 0.00 H new ATOM 624 N MET A 43 171.476 10.111 2.760 1.00 0.00 N ATOM 625 CA MET A 43 171.908 9.419 1.550 1.00 0.00 C ATOM 626 C MET A 43 171.376 7.989 1.516 1.00 0.00 C ATOM 627 O MET A 43 170.949 7.500 0.470 1.00 0.00 O ATOM 628 CB MET A 43 173.436 9.411 1.464 1.00 0.00 C ATOM 629 CG MET A 43 174.104 8.635 2.587 1.00 0.00 C ATOM 630 SD MET A 43 175.870 8.974 2.709 1.00 0.00 S ATOM 631 CE MET A 43 175.854 10.717 3.119 1.00 0.00 C ATOM 0 H MET A 43 172.207 10.226 3.462 1.00 0.00 H new ATOM 0 HA MET A 43 171.503 9.954 0.691 1.00 0.00 H new ATOM 0 HB2 MET A 43 173.736 8.981 0.508 1.00 0.00 H new ATOM 0 HB3 MET A 43 173.798 10.439 1.479 1.00 0.00 H new ATOM 0 HG2 MET A 43 173.624 8.886 3.533 1.00 0.00 H new ATOM 0 HG3 MET A 43 173.953 7.568 2.426 1.00 0.00 H new ATOM 0 HE1 MET A 43 176.430 11.270 2.378 1.00 0.00 H new ATOM 0 HE2 MET A 43 174.826 11.080 3.125 1.00 0.00 H new ATOM 0 HE3 MET A 43 176.296 10.863 4.105 1.00 0.00 H new ATOM 641 N TYR A 44 171.405 7.324 2.667 1.00 0.00 N ATOM 642 CA TYR A 44 170.926 5.949 2.769 1.00 0.00 C ATOM 643 C TYR A 44 169.482 5.837 2.290 1.00 0.00 C ATOM 644 O TYR A 44 169.176 5.063 1.382 1.00 0.00 O ATOM 645 CB TYR A 44 171.034 5.455 4.213 1.00 0.00 C ATOM 646 CG TYR A 44 172.456 5.205 4.664 1.00 0.00 C ATOM 647 CD1 TYR A 44 173.158 4.089 4.226 1.00 0.00 C ATOM 648 CD2 TYR A 44 173.095 6.085 5.528 1.00 0.00 C ATOM 649 CE1 TYR A 44 174.456 3.857 4.637 1.00 0.00 C ATOM 650 CE2 TYR A 44 174.393 5.860 5.943 1.00 0.00 C ATOM 651 CZ TYR A 44 175.070 4.745 5.495 1.00 0.00 C ATOM 652 OH TYR A 44 176.363 4.518 5.906 1.00 0.00 O ATOM 0 H TYR A 44 171.755 7.715 3.542 1.00 0.00 H new ATOM 0 HA TYR A 44 171.551 5.326 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 44 170.576 6.190 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 44 170.462 4.533 4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 44 172.681 3.392 3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 44 172.568 6.959 5.881 1.00 0.00 H new ATOM 0 HE1 TYR A 44 174.988 2.984 4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 44 174.876 6.554 6.615 1.00 0.00 H new ATOM 0 HH TYR A 44 176.356 3.989 6.731 1.00 0.00 H new ATOM 662 N CYS A 45 168.598 6.616 2.905 1.00 0.00 N ATOM 663 CA CYS A 45 167.187 6.604 2.538 1.00 0.00 C ATOM 664 C CYS A 45 166.999 7.002 1.077 1.00 0.00 C ATOM 665 O CYS A 45 165.975 6.695 0.469 1.00 0.00 O ATOM 666 CB CYS A 45 166.392 7.553 3.435 1.00 0.00 C ATOM 667 SG CYS A 45 166.130 6.937 5.129 1.00 0.00 S ATOM 0 H CYS A 45 168.833 7.262 3.658 1.00 0.00 H new ATOM 0 HA CYS A 45 166.816 5.588 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 45 166.913 8.509 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 45 165.422 7.742 2.975 1.00 0.00 H new ATOM 672 N ALA A 46 167.991 7.689 0.520 1.00 0.00 N ATOM 673 CA ALA A 46 167.926 8.128 -0.869 1.00 0.00 C ATOM 674 C ALA A 46 168.097 6.950 -1.823 1.00 0.00 C ATOM 675 O ALA A 46 167.285 6.740 -2.724 1.00 0.00 O ATOM 676 CB ALA A 46 168.985 9.186 -1.138 1.00 0.00 C ATOM 0 H ALA A 46 168.847 7.953 1.008 1.00 0.00 H new ATOM 0 HA ALA A 46 166.942 8.564 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 46 168.925 9.505 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 46 168.817 10.043 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 46 169.973 8.770 -0.942 1.00 0.00 H new ATOM 682 N ALA A 47 169.159 6.183 -1.619 1.00 0.00 N ATOM 683 CA ALA A 47 169.431 5.028 -2.462 1.00 0.00 C ATOM 684 C ALA A 47 168.419 3.913 -2.214 1.00 0.00 C ATOM 685 O ALA A 47 168.152 3.101 -3.098 1.00 0.00 O ATOM 686 CB ALA A 47 170.845 4.523 -2.221 1.00 0.00 C ATOM 0 H ALA A 47 169.844 6.339 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 47 169.339 5.339 -3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 47 171.036 3.659 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 47 171.558 5.313 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 47 170.955 4.235 -1.176 1.00 0.00 H new ATOM 692 N LEU A 48 167.854 3.883 -1.011 1.00 0.00 N ATOM 693 CA LEU A 48 166.878 2.873 -0.651 1.00 0.00 C ATOM 694 C LEU A 48 165.527 3.201 -1.257 1.00 0.00 C ATOM 695 O LEU A 48 164.827 2.322 -1.758 1.00 0.00 O ATOM 696 CB LEU A 48 166.758 2.788 0.869 1.00 0.00 C ATOM 697 CG LEU A 48 165.614 1.910 1.380 1.00 0.00 C ATOM 698 CD1 LEU A 48 165.813 0.464 0.949 1.00 0.00 C ATOM 699 CD2 LEU A 48 165.501 2.013 2.895 1.00 0.00 C ATOM 0 H LEU A 48 168.060 4.552 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 48 167.210 1.911 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 167.696 2.406 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 48 166.628 3.795 1.265 1.00 0.00 H new ATOM 0 HG LEU A 48 164.682 2.268 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 48 164.989 -0.144 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 48 165.840 0.409 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 48 166.753 0.089 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 48 164.683 1.383 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 48 166.433 1.682 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 48 165.306 3.048 3.176 1.00 0.00 H new ATOM 711 N GLU A 49 165.160 4.473 -1.195 1.00 0.00 N ATOM 712 CA GLU A 49 163.886 4.911 -1.726 1.00 0.00 C ATOM 713 C GLU A 49 163.838 4.750 -3.243 1.00 0.00 C ATOM 714 O GLU A 49 162.853 4.256 -3.792 1.00 0.00 O ATOM 715 CB GLU A 49 163.597 6.363 -1.334 1.00 0.00 C ATOM 716 CG GLU A 49 164.433 7.383 -2.087 1.00 0.00 C ATOM 717 CD GLU A 49 163.829 7.760 -3.425 1.00 0.00 C ATOM 718 OE1 GLU A 49 162.592 7.919 -3.494 1.00 0.00 O ATOM 719 OE2 GLU A 49 164.592 7.896 -4.404 1.00 0.00 O ATOM 0 H GLU A 49 165.727 5.214 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 49 163.113 4.278 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 49 162.542 6.573 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 49 163.773 6.482 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 164.542 8.279 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 49 165.434 6.981 -2.245 1.00 0.00 H new ATOM 726 N SER A 50 164.903 5.174 -3.919 1.00 0.00 N ATOM 727 CA SER A 50 164.965 5.078 -5.372 1.00 0.00 C ATOM 728 C SER A 50 165.140 3.632 -5.839 1.00 0.00 C ATOM 729 O SER A 50 164.502 3.206 -6.802 1.00 0.00 O ATOM 730 CB SER A 50 166.105 5.941 -5.915 1.00 0.00 C ATOM 731 OG SER A 50 167.198 5.971 -5.015 1.00 0.00 O ATOM 0 H SER A 50 165.730 5.585 -3.485 1.00 0.00 H new ATOM 0 HA SER A 50 164.016 5.444 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.434 5.550 -6.878 1.00 0.00 H new ATOM 0 HB3 SER A 50 165.746 6.955 -6.089 1.00 0.00 H new ATOM 0 HG SER A 50 167.049 6.668 -4.342 1.00 0.00 H new ATOM 737 N LEU A 51 166.011 2.880 -5.166 1.00 0.00 N ATOM 738 CA LEU A 51 166.262 1.494 -5.535 1.00 0.00 C ATOM 739 C LEU A 51 165.028 0.622 -5.315 1.00 0.00 C ATOM 740 O LEU A 51 164.706 -0.231 -6.141 1.00 0.00 O ATOM 741 CB LEU A 51 167.433 0.945 -4.725 1.00 0.00 C ATOM 742 CG LEU A 51 168.810 1.464 -5.141 1.00 0.00 C ATOM 743 CD1 LEU A 51 169.863 1.059 -4.121 1.00 0.00 C ATOM 744 CD2 LEU A 51 169.179 0.951 -6.524 1.00 0.00 C ATOM 0 H LEU A 51 166.551 3.209 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 51 166.506 1.470 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 51 167.273 1.187 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 51 167.432 -0.142 -4.805 1.00 0.00 H new ATOM 0 HG LEU A 51 168.770 2.553 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 170.837 1.437 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 51 169.607 1.477 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 51 169.902 -0.028 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 170.162 1.331 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 51 169.201 -0.139 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 51 168.439 1.293 -7.248 1.00 0.00 H new ATOM 756 N ILE A 52 164.346 0.835 -4.195 1.00 0.00 N ATOM 757 CA ILE A 52 163.156 0.058 -3.867 1.00 0.00 C ATOM 758 C ILE A 52 162.091 0.182 -4.956 1.00 0.00 C ATOM 759 O ILE A 52 161.242 -0.695 -5.109 1.00 0.00 O ATOM 760 CB ILE A 52 162.565 0.485 -2.504 1.00 0.00 C ATOM 761 CG1 ILE A 52 161.514 -0.530 -2.033 1.00 0.00 C ATOM 762 CG2 ILE A 52 161.982 1.894 -2.573 1.00 0.00 C ATOM 763 CD1 ILE A 52 160.144 -0.344 -2.654 1.00 0.00 C ATOM 0 H ILE A 52 164.596 1.538 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 52 163.465 -0.985 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 52 163.373 0.502 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 52 161.869 -1.535 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 52 161.421 -0.462 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 52 161.574 2.167 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 52 162.766 2.599 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 52 161.189 1.923 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 52 159.463 -1.102 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 52 159.763 0.647 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 52 160.219 -0.443 -3.737 1.00 0.00 H new ATOM 775 N ASN A 53 162.144 1.275 -5.712 1.00 0.00 N ATOM 776 CA ASN A 53 161.184 1.507 -6.784 1.00 0.00 C ATOM 777 C ASN A 53 161.521 0.674 -8.021 1.00 0.00 C ATOM 778 O ASN A 53 160.673 0.468 -8.888 1.00 0.00 O ATOM 779 CB ASN A 53 161.143 2.993 -7.146 1.00 0.00 C ATOM 780 CG ASN A 53 160.011 3.725 -6.452 1.00 0.00 C ATOM 781 OD1 ASN A 53 159.784 3.401 -5.183 1.00 0.00 O flip ATOM 782 ND2 ASN A 53 159.348 4.574 -7.048 1.00 0.00 N flip ATOM 0 H ASN A 53 162.840 2.012 -5.602 1.00 0.00 H new ATOM 0 HA ASN A 53 160.202 1.199 -6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 53 162.092 3.457 -6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 53 161.033 3.099 -8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 53 159.556 4.792 -8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 53 158.590 5.059 -6.567 1.00 0.00 H new ATOM 789 N VAL A 54 162.761 0.195 -8.097 1.00 0.00 N ATOM 790 CA VAL A 54 163.196 -0.615 -9.231 1.00 0.00 C ATOM 791 C VAL A 54 162.348 -1.879 -9.354 1.00 0.00 C ATOM 792 O VAL A 54 161.990 -2.498 -8.352 1.00 0.00 O ATOM 793 CB VAL A 54 164.682 -1.012 -9.105 1.00 0.00 C ATOM 794 CG1 VAL A 54 165.109 -1.891 -10.274 1.00 0.00 C ATOM 795 CG2 VAL A 54 165.560 0.228 -9.016 1.00 0.00 C ATOM 0 H VAL A 54 163.479 0.353 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 54 163.070 -0.005 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 54 164.805 -1.587 -8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 54 166.160 -2.158 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 54 164.504 -2.797 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 54 164.969 -1.347 -11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 54 166.604 -0.071 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 54 165.430 0.831 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 54 165.275 0.814 -8.142 1.00 0.00 H new ATOM 805 N SER A 55 162.033 -2.254 -10.589 1.00 0.00 N ATOM 806 CA SER A 55 161.228 -3.444 -10.845 1.00 0.00 C ATOM 807 C SER A 55 161.783 -4.231 -12.027 1.00 0.00 C ATOM 808 O SER A 55 162.254 -3.651 -13.006 1.00 0.00 O ATOM 809 CB SER A 55 159.774 -3.053 -11.114 1.00 0.00 C ATOM 810 OG SER A 55 159.699 -1.894 -11.925 1.00 0.00 O ATOM 0 H SER A 55 162.322 -1.752 -11.428 1.00 0.00 H new ATOM 0 HA SER A 55 161.268 -4.078 -9.959 1.00 0.00 H new ATOM 0 HB2 SER A 55 159.257 -3.878 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 55 159.262 -2.873 -10.169 1.00 0.00 H new ATOM 0 HG SER A 55 158.759 -1.666 -12.084 1.00 0.00 H new ATOM 816 N GLY A 56 161.726 -5.555 -11.930 1.00 0.00 N ATOM 817 CA GLY A 56 162.226 -6.400 -12.998 1.00 0.00 C ATOM 818 C GLY A 56 163.720 -6.640 -12.898 1.00 0.00 C ATOM 819 O GLY A 56 164.380 -6.914 -13.901 1.00 0.00 O ATOM 0 H GLY A 56 161.342 -6.058 -11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 56 161.705 -7.357 -12.974 1.00 0.00 H new ATOM 0 HA3 GLY A 56 161.999 -5.938 -13.959 1.00 0.00 H new ATOM 823 N CYS A 57 164.255 -6.538 -11.685 1.00 0.00 N ATOM 824 CA CYS A 57 165.674 -6.745 -11.453 1.00 0.00 C ATOM 825 C CYS A 57 165.877 -7.619 -10.223 1.00 0.00 C ATOM 826 O CYS A 57 166.306 -8.768 -10.325 1.00 0.00 O ATOM 827 CB CYS A 57 166.371 -5.399 -11.266 1.00 0.00 C ATOM 828 SG CYS A 57 167.286 -4.824 -12.733 1.00 0.00 S ATOM 0 H CYS A 57 163.721 -6.312 -10.846 1.00 0.00 H new ATOM 0 HA CYS A 57 166.108 -7.249 -12.317 1.00 0.00 H new ATOM 0 HB2 CYS A 57 165.625 -4.650 -11.000 1.00 0.00 H new ATOM 0 HB3 CYS A 57 167.062 -5.473 -10.426 1.00 0.00 H new ATOM 833 N SER A 58 165.546 -7.066 -9.061 1.00 0.00 N ATOM 834 CA SER A 58 165.666 -7.790 -7.802 1.00 0.00 C ATOM 835 C SER A 58 167.120 -8.132 -7.475 1.00 0.00 C ATOM 836 O SER A 58 167.386 -8.934 -6.580 1.00 0.00 O ATOM 837 CB SER A 58 164.824 -9.064 -7.857 1.00 0.00 C ATOM 838 OG SER A 58 164.125 -9.269 -6.642 1.00 0.00 O ATOM 0 H SER A 58 165.191 -6.115 -8.966 1.00 0.00 H new ATOM 0 HA SER A 58 165.298 -7.141 -7.007 1.00 0.00 H new ATOM 0 HB2 SER A 58 164.114 -8.998 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 58 165.468 -9.920 -8.058 1.00 0.00 H new ATOM 0 HG SER A 58 163.593 -10.090 -6.705 1.00 0.00 H new ATOM 844 N ALA A 59 168.057 -7.514 -8.188 1.00 0.00 N ATOM 845 CA ALA A 59 169.475 -7.755 -7.948 1.00 0.00 C ATOM 846 C ALA A 59 170.015 -6.763 -6.928 1.00 0.00 C ATOM 847 O ALA A 59 170.803 -7.115 -6.050 1.00 0.00 O ATOM 848 CB ALA A 59 170.257 -7.663 -9.250 1.00 0.00 C ATOM 0 H ALA A 59 167.861 -6.846 -8.933 1.00 0.00 H new ATOM 0 HA ALA A 59 169.594 -8.761 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 59 171.314 -7.845 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 59 169.884 -8.409 -9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 59 170.134 -6.668 -9.679 1.00 0.00 H new ATOM 854 N ILE A 60 169.573 -5.519 -7.056 1.00 0.00 N ATOM 855 CA ILE A 60 169.984 -4.450 -6.161 1.00 0.00 C ATOM 856 C ILE A 60 169.289 -4.557 -4.804 1.00 0.00 C ATOM 857 O ILE A 60 169.717 -3.935 -3.832 1.00 0.00 O ATOM 858 CB ILE A 60 169.667 -3.074 -6.775 1.00 0.00 C ATOM 859 CG1 ILE A 60 168.288 -3.086 -7.445 1.00 0.00 C ATOM 860 CG2 ILE A 60 170.746 -2.675 -7.771 1.00 0.00 C ATOM 861 CD1 ILE A 60 167.385 -1.968 -6.988 1.00 0.00 C ATOM 0 H ILE A 60 168.920 -5.225 -7.783 1.00 0.00 H new ATOM 0 HA ILE A 60 171.060 -4.551 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 60 169.649 -2.335 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 60 168.418 -3.019 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.803 -4.040 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 60 170.507 -1.700 -8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 60 171.709 -2.623 -7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 60 170.797 -3.416 -8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 60 166.427 -2.040 -7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 60 167.225 -2.046 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 60 167.849 -1.009 -7.217 1.00 0.00 H new ATOM 873 N GLU A 61 168.209 -5.340 -4.749 1.00 0.00 N ATOM 874 CA GLU A 61 167.441 -5.529 -3.516 1.00 0.00 C ATOM 875 C GLU A 61 168.346 -5.622 -2.289 1.00 0.00 C ATOM 876 O GLU A 61 168.026 -5.092 -1.224 1.00 0.00 O ATOM 877 CB GLU A 61 166.579 -6.788 -3.625 1.00 0.00 C ATOM 878 CG GLU A 61 165.129 -6.504 -3.978 1.00 0.00 C ATOM 879 CD GLU A 61 164.158 -7.353 -3.182 1.00 0.00 C ATOM 880 OE1 GLU A 61 164.573 -8.419 -2.681 1.00 0.00 O ATOM 881 OE2 GLU A 61 162.981 -6.953 -3.059 1.00 0.00 O ATOM 0 H GLU A 61 167.845 -5.856 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 61 166.801 -4.656 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 61 167.006 -7.446 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 61 166.615 -7.326 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 61 164.915 -5.450 -3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 61 164.976 -6.685 -5.042 1.00 0.00 H new ATOM 888 N LYS A 62 169.481 -6.289 -2.449 1.00 0.00 N ATOM 889 CA LYS A 62 170.434 -6.439 -1.355 1.00 0.00 C ATOM 890 C LYS A 62 170.868 -5.069 -0.845 1.00 0.00 C ATOM 891 O LYS A 62 170.872 -4.810 0.361 1.00 0.00 O ATOM 892 CB LYS A 62 171.654 -7.238 -1.817 1.00 0.00 C ATOM 893 CG LYS A 62 171.527 -8.734 -1.580 1.00 0.00 C ATOM 894 CD LYS A 62 171.830 -9.097 -0.135 1.00 0.00 C ATOM 895 CE LYS A 62 170.556 -9.323 0.662 1.00 0.00 C ATOM 896 NZ LYS A 62 170.235 -10.771 0.799 1.00 0.00 N ATOM 0 H LYS A 62 169.765 -6.734 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 62 169.949 -6.981 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 62 171.813 -7.059 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 62 172.538 -6.870 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 62 170.518 -9.059 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 62 172.210 -9.267 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 62 172.443 -9.998 -0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 62 172.413 -8.300 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 62 170.664 -8.880 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 62 169.727 -8.812 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 169.359 -10.882 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 170.107 -11.189 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 171.015 -11.255 1.289 1.00 0.00 H new ATOM 910 N THR A 63 171.219 -4.192 -1.779 1.00 0.00 N ATOM 911 CA THR A 63 171.640 -2.841 -1.441 1.00 0.00 C ATOM 912 C THR A 63 170.505 -2.089 -0.753 1.00 0.00 C ATOM 913 O THR A 63 170.738 -1.265 0.127 1.00 0.00 O ATOM 914 CB THR A 63 172.083 -2.095 -2.703 1.00 0.00 C ATOM 915 OG1 THR A 63 173.255 -2.677 -3.244 1.00 0.00 O ATOM 916 CG2 THR A 63 172.369 -0.627 -2.466 1.00 0.00 C ATOM 0 H THR A 63 171.220 -4.395 -2.779 1.00 0.00 H new ATOM 0 HA THR A 63 172.484 -2.899 -0.754 1.00 0.00 H new ATOM 0 HB THR A 63 171.244 -2.177 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 63 173.521 -2.188 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 63 172.678 -0.161 -3.402 1.00 0.00 H new ATOM 0 HG22 THR A 63 171.469 -0.136 -2.095 1.00 0.00 H new ATOM 0 HG23 THR A 63 173.167 -0.526 -1.730 1.00 0.00 H new ATOM 924 N GLN A 64 169.274 -2.382 -1.158 1.00 0.00 N ATOM 925 CA GLN A 64 168.110 -1.733 -0.568 1.00 0.00 C ATOM 926 C GLN A 64 168.032 -2.040 0.922 1.00 0.00 C ATOM 927 O GLN A 64 167.892 -1.137 1.742 1.00 0.00 O ATOM 928 CB GLN A 64 166.826 -2.189 -1.261 1.00 0.00 C ATOM 929 CG GLN A 64 166.493 -1.390 -2.510 1.00 0.00 C ATOM 930 CD GLN A 64 166.590 -2.221 -3.772 1.00 0.00 C ATOM 931 OE1 GLN A 64 167.673 -2.398 -4.330 1.00 0.00 O ATOM 932 NE2 GLN A 64 165.456 -2.740 -4.227 1.00 0.00 N ATOM 0 H GLN A 64 169.057 -3.061 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 64 168.215 -0.657 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 64 166.921 -3.242 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 64 165.996 -2.112 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 64 165.484 -0.986 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 64 167.171 -0.540 -2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 64 164.581 -2.567 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 64 165.460 -3.312 -5.072 1.00 0.00 H new ATOM 941 N ARG A 65 168.120 -3.322 1.262 1.00 0.00 N ATOM 942 CA ARG A 65 168.059 -3.751 2.645 1.00 0.00 C ATOM 943 C ARG A 65 169.175 -3.115 3.471 1.00 0.00 C ATOM 944 O ARG A 65 168.923 -2.495 4.510 1.00 0.00 O ATOM 945 CB ARG A 65 168.151 -5.276 2.732 1.00 0.00 C ATOM 946 CG ARG A 65 166.802 -5.972 2.648 1.00 0.00 C ATOM 947 CD ARG A 65 166.110 -6.010 4.000 1.00 0.00 C ATOM 948 NE ARG A 65 164.868 -6.779 3.958 1.00 0.00 N ATOM 949 CZ ARG A 65 164.820 -8.109 3.921 1.00 0.00 C ATOM 950 NH1 ARG A 65 165.941 -8.820 3.920 1.00 0.00 N ATOM 951 NH2 ARG A 65 163.649 -8.729 3.885 1.00 0.00 N ATOM 0 H ARG A 65 168.234 -4.082 0.591 1.00 0.00 H new ATOM 0 HA ARG A 65 167.103 -3.425 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 65 168.789 -5.640 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 65 168.634 -5.550 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 65 166.168 -5.454 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 65 166.938 -6.989 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 65 166.782 -6.447 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 65 165.895 -4.992 4.326 1.00 0.00 H new ATOM 0 HE ARG A 65 163.986 -6.267 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 65 166.845 -8.348 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 65 165.899 -9.839 3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 65 162.785 -8.187 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 65 163.612 -9.748 3.857 1.00 0.00 H new ATOM 965 N MET A 66 170.413 -3.272 3.005 1.00 0.00 N ATOM 966 CA MET A 66 171.566 -2.720 3.695 1.00 0.00 C ATOM 967 C MET A 66 171.404 -1.217 3.908 1.00 0.00 C ATOM 968 O MET A 66 171.820 -0.674 4.931 1.00 0.00 O ATOM 969 CB MET A 66 172.838 -3.022 2.898 1.00 0.00 C ATOM 970 CG MET A 66 173.036 -2.131 1.683 1.00 0.00 C ATOM 971 SD MET A 66 174.707 -2.228 1.011 1.00 0.00 S ATOM 972 CE MET A 66 175.044 -3.981 1.165 1.00 0.00 C ATOM 0 H MET A 66 170.638 -3.779 2.149 1.00 0.00 H new ATOM 0 HA MET A 66 171.645 -3.187 4.677 1.00 0.00 H new ATOM 0 HB2 MET A 66 173.700 -2.917 3.557 1.00 0.00 H new ATOM 0 HB3 MET A 66 172.811 -4.062 2.572 1.00 0.00 H new ATOM 0 HG2 MET A 66 172.321 -2.414 0.910 1.00 0.00 H new ATOM 0 HG3 MET A 66 172.818 -1.098 1.956 1.00 0.00 H new ATOM 0 HE1 MET A 66 175.923 -4.236 0.573 1.00 0.00 H new ATOM 0 HE2 MET A 66 175.227 -4.226 2.211 1.00 0.00 H new ATOM 0 HE3 MET A 66 174.187 -4.549 0.804 1.00 0.00 H new ATOM 982 N LEU A 67 170.791 -0.556 2.933 1.00 0.00 N ATOM 983 CA LEU A 67 170.562 0.876 3.003 1.00 0.00 C ATOM 984 C LEU A 67 169.510 1.195 4.059 1.00 0.00 C ATOM 985 O LEU A 67 169.624 2.181 4.787 1.00 0.00 O ATOM 986 CB LEU A 67 170.116 1.397 1.639 1.00 0.00 C ATOM 987 CG LEU A 67 171.235 1.551 0.607 1.00 0.00 C ATOM 988 CD1 LEU A 67 170.660 1.914 -0.754 1.00 0.00 C ATOM 989 CD2 LEU A 67 172.239 2.599 1.062 1.00 0.00 C ATOM 0 H LEU A 67 170.443 -0.995 2.081 1.00 0.00 H new ATOM 0 HA LEU A 67 171.493 1.368 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 67 169.363 0.720 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 67 169.634 2.365 1.777 1.00 0.00 H new ATOM 0 HG LEU A 67 171.753 0.597 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 67 171.471 2.019 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 67 169.981 1.128 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 67 170.116 2.856 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 67 173.028 2.695 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 67 171.735 3.558 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 67 172.675 2.296 2.014 1.00 0.00 H new ATOM 1001 N SER A 68 168.491 0.344 4.142 1.00 0.00 N ATOM 1002 CA SER A 68 167.423 0.523 5.115 1.00 0.00 C ATOM 1003 C SER A 68 167.994 0.514 6.522 1.00 0.00 C ATOM 1004 O SER A 68 167.641 1.348 7.356 1.00 0.00 O ATOM 1005 CB SER A 68 166.372 -0.579 4.966 1.00 0.00 C ATOM 1006 OG SER A 68 165.194 -0.262 5.686 1.00 0.00 O ATOM 0 H SER A 68 168.384 -0.477 3.546 1.00 0.00 H new ATOM 0 HA SER A 68 166.944 1.485 4.933 1.00 0.00 H new ATOM 0 HB2 SER A 68 166.132 -0.716 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 68 166.778 -1.524 5.326 1.00 0.00 H new ATOM 0 HG SER A 68 164.538 -0.981 5.573 1.00 0.00 H new ATOM 1012 N GLY A 69 168.890 -0.432 6.771 1.00 0.00 N ATOM 1013 CA GLY A 69 169.517 -0.537 8.071 1.00 0.00 C ATOM 1014 C GLY A 69 170.038 0.800 8.569 1.00 0.00 C ATOM 1015 O GLY A 69 170.124 1.032 9.775 1.00 0.00 O ATOM 0 H GLY A 69 169.194 -1.130 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 69 168.798 -0.934 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 69 170.341 -1.249 8.018 1.00 0.00 H new ATOM 1019 N PHE A 70 170.381 1.680 7.631 1.00 0.00 N ATOM 1020 CA PHE A 70 170.892 3.004 7.967 1.00 0.00 C ATOM 1021 C PHE A 70 169.851 4.082 7.669 1.00 0.00 C ATOM 1022 O PHE A 70 169.874 5.159 8.265 1.00 0.00 O ATOM 1023 CB PHE A 70 172.177 3.291 7.188 1.00 0.00 C ATOM 1024 CG PHE A 70 173.383 2.584 7.737 1.00 0.00 C ATOM 1025 CD1 PHE A 70 173.375 1.210 7.917 1.00 0.00 C ATOM 1026 CD2 PHE A 70 174.524 3.294 8.073 1.00 0.00 C ATOM 1027 CE1 PHE A 70 174.484 0.557 8.422 1.00 0.00 C ATOM 1028 CE2 PHE A 70 175.636 2.646 8.579 1.00 0.00 C ATOM 1029 CZ PHE A 70 175.616 1.276 8.753 1.00 0.00 C ATOM 0 H PHE A 70 170.313 1.498 6.630 1.00 0.00 H new ATOM 0 HA PHE A 70 171.111 3.021 9.035 1.00 0.00 H new ATOM 0 HB2 PHE A 70 172.035 2.996 6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 70 172.362 4.365 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 70 172.493 0.643 7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 70 174.545 4.365 7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 70 174.465 -0.514 8.558 1.00 0.00 H new ATOM 0 HE2 PHE A 70 176.519 3.211 8.838 1.00 0.00 H new ATOM 0 HZ PHE A 70 176.484 0.768 9.147 1.00 0.00 H new ATOM 1039 N CYS A 71 168.939 3.782 6.743 1.00 0.00 N ATOM 1040 CA CYS A 71 167.882 4.718 6.359 1.00 0.00 C ATOM 1041 C CYS A 71 167.272 5.396 7.588 1.00 0.00 C ATOM 1042 O CYS A 71 166.476 4.789 8.304 1.00 0.00 O ATOM 1043 CB CYS A 71 166.792 3.975 5.580 1.00 0.00 C ATOM 1044 SG CYS A 71 165.480 5.031 4.866 1.00 0.00 S ATOM 0 H CYS A 71 168.912 2.893 6.243 1.00 0.00 H new ATOM 0 HA CYS A 71 168.321 5.490 5.728 1.00 0.00 H new ATOM 0 HB2 CYS A 71 167.264 3.415 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 71 166.327 3.246 6.244 1.00 0.00 H new ATOM 1049 N PRO A 72 167.640 6.666 7.855 1.00 0.00 N ATOM 1050 CA PRO A 72 167.125 7.413 9.005 1.00 0.00 C ATOM 1051 C PRO A 72 165.623 7.240 9.191 1.00 0.00 C ATOM 1052 O PRO A 72 165.163 6.749 10.222 1.00 0.00 O ATOM 1053 CB PRO A 72 167.465 8.879 8.679 1.00 0.00 C ATOM 1054 CG PRO A 72 168.069 8.871 7.308 1.00 0.00 C ATOM 1055 CD PRO A 72 168.581 7.480 7.074 1.00 0.00 C ATOM 0 HA PRO A 72 167.566 7.063 9.938 1.00 0.00 H new ATOM 0 HB2 PRO A 72 166.571 9.502 8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 72 168.162 9.289 9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 72 167.328 9.143 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 72 168.877 9.599 7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 72 168.569 7.214 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 72 169.607 7.360 7.421 1.00 0.00 H new ATOM 1063 N HIS A 73 164.869 7.648 8.186 1.00 0.00 N ATOM 1064 CA HIS A 73 163.414 7.545 8.222 1.00 0.00 C ATOM 1065 C HIS A 73 162.938 6.325 7.436 1.00 0.00 C ATOM 1066 O HIS A 73 163.724 5.430 7.131 1.00 0.00 O ATOM 1067 CB HIS A 73 162.779 8.817 7.655 1.00 0.00 C ATOM 1068 CG HIS A 73 163.398 10.078 8.174 1.00 0.00 C ATOM 1069 ND1 HIS A 73 163.194 10.545 9.456 1.00 0.00 N ATOM 1070 CD2 HIS A 73 164.221 10.973 7.577 1.00 0.00 C ATOM 1071 CE1 HIS A 73 163.864 11.671 9.624 1.00 0.00 C ATOM 1072 NE2 HIS A 73 164.495 11.952 8.500 1.00 0.00 N ATOM 0 H HIS A 73 165.239 8.057 7.328 1.00 0.00 H new ATOM 0 HA HIS A 73 163.105 7.428 9.261 1.00 0.00 H new ATOM 0 HB2 HIS A 73 162.862 8.802 6.568 1.00 0.00 H new ATOM 0 HB3 HIS A 73 161.715 8.819 7.893 1.00 0.00 H new ATOM 0 HD2 HIS A 73 164.592 10.925 6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 73 163.891 12.261 10.528 1.00 0.00 H new ATOM 0 HE2 HIS A 73 165.090 12.765 8.342 1.00 0.00 H new ATOM 1081 N LYS A 74 161.648 6.295 7.111 1.00 0.00 N ATOM 1082 CA LYS A 74 161.077 5.183 6.359 1.00 0.00 C ATOM 1083 C LYS A 74 160.733 5.610 4.937 1.00 0.00 C ATOM 1084 O LYS A 74 160.258 6.723 4.709 1.00 0.00 O ATOM 1085 CB LYS A 74 159.826 4.650 7.059 1.00 0.00 C ATOM 1086 CG LYS A 74 160.114 3.938 8.371 1.00 0.00 C ATOM 1087 CD LYS A 74 161.151 2.838 8.202 1.00 0.00 C ATOM 1088 CE LYS A 74 160.694 1.780 7.210 1.00 0.00 C ATOM 1089 NZ LYS A 74 161.663 1.611 6.092 1.00 0.00 N ATOM 0 H LYS A 74 160.981 7.026 7.356 1.00 0.00 H new ATOM 0 HA LYS A 74 161.823 4.389 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 74 159.145 5.480 7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 74 159.311 3.962 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 74 160.467 4.661 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 74 159.191 3.510 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 74 162.091 3.273 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 74 161.347 2.371 9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 74 160.567 0.829 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 74 159.720 2.057 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 161.703 0.609 5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 161.358 2.183 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 162.606 1.923 6.400 1.00 0.00 H new ATOM 1103 N VAL A 75 160.974 4.717 3.984 1.00 0.00 N ATOM 1104 CA VAL A 75 160.689 4.997 2.586 1.00 0.00 C ATOM 1105 C VAL A 75 160.767 3.726 1.746 1.00 0.00 C ATOM 1106 O VAL A 75 161.846 3.304 1.333 1.00 0.00 O ATOM 1107 CB VAL A 75 161.660 6.050 2.015 1.00 0.00 C ATOM 1108 CG1 VAL A 75 163.098 5.563 2.101 1.00 0.00 C ATOM 1109 CG2 VAL A 75 161.289 6.398 0.581 1.00 0.00 C ATOM 0 H VAL A 75 161.367 3.792 4.157 1.00 0.00 H new ATOM 0 HA VAL A 75 159.675 5.394 2.539 1.00 0.00 H new ATOM 0 HB VAL A 75 161.576 6.955 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 75 163.764 6.323 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 75 163.357 5.376 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 75 163.205 4.641 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 75 161.986 7.142 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 75 161.339 5.501 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 75 160.276 6.801 0.555 1.00 0.00 H new ATOM 1119 N SER A 76 159.613 3.124 1.495 1.00 0.00 N ATOM 1120 CA SER A 76 159.516 1.931 0.722 1.00 0.00 C ATOM 1121 C SER A 76 158.735 2.214 -0.534 1.00 0.00 C ATOM 1122 O SER A 76 158.917 3.225 -1.214 1.00 0.00 O ATOM 1123 CB SER A 76 158.842 0.841 1.569 1.00 0.00 C ATOM 1124 OG SER A 76 158.861 -0.408 0.901 1.00 0.00 O ATOM 0 H SER A 76 158.715 3.469 1.835 1.00 0.00 H new ATOM 0 HA SER A 76 160.506 1.579 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 76 159.354 0.752 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 76 157.812 1.127 1.783 1.00 0.00 H new ATOM 0 HG SER A 76 158.428 -1.085 1.461 1.00 0.00 H new ATOM 1130 N ALA A 77 157.883 1.300 -0.801 1.00 0.00 N ATOM 1131 CA ALA A 77 157.001 1.337 -1.962 1.00 0.00 C ATOM 1132 C ALA A 77 155.552 1.551 -1.540 1.00 0.00 C ATOM 1133 O ALA A 77 154.696 0.693 -1.760 1.00 0.00 O ATOM 1134 CB ALA A 77 157.136 0.054 -2.769 1.00 0.00 C ATOM 0 H ALA A 77 157.756 0.472 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 77 157.298 2.178 -2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 77 156.472 0.096 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 158.166 -0.056 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 77 156.867 -0.798 -2.145 1.00 0.00 H new ATOM 1295 N THR A 88 168.232 16.395 -11.325 1.00 0.00 N ATOM 1296 CA THR A 88 168.359 15.518 -12.482 1.00 0.00 C ATOM 1297 C THR A 88 168.666 14.087 -12.051 1.00 0.00 C ATOM 1298 O THR A 88 169.405 13.861 -11.093 1.00 0.00 O ATOM 1299 CB THR A 88 169.457 16.030 -13.418 1.00 0.00 C ATOM 1300 OG1 THR A 88 170.300 16.951 -12.748 1.00 0.00 O ATOM 1301 CG2 THR A 88 168.917 16.717 -14.653 1.00 0.00 C ATOM 0 HA THR A 88 167.408 15.520 -13.014 1.00 0.00 H new ATOM 0 HB THR A 88 170.009 15.143 -13.727 1.00 0.00 H new ATOM 0 HG1 THR A 88 169.917 17.168 -11.873 1.00 0.00 H new ATOM 0 HG21 THR A 88 169.747 17.056 -15.273 1.00 0.00 H new ATOM 0 HG22 THR A 88 168.303 16.017 -15.219 1.00 0.00 H new ATOM 0 HG23 THR A 88 168.312 17.574 -14.357 1.00 0.00 H new ATOM 1309 N LYS A 89 168.094 13.124 -12.767 1.00 0.00 N ATOM 1310 CA LYS A 89 168.307 11.715 -12.462 1.00 0.00 C ATOM 1311 C LYS A 89 169.572 11.199 -13.139 1.00 0.00 C ATOM 1312 O LYS A 89 170.019 11.754 -14.142 1.00 0.00 O ATOM 1313 CB LYS A 89 167.104 10.887 -12.916 1.00 0.00 C ATOM 1314 CG LYS A 89 166.002 10.793 -11.873 1.00 0.00 C ATOM 1315 CD LYS A 89 164.634 11.062 -12.479 1.00 0.00 C ATOM 1316 CE LYS A 89 163.539 10.315 -11.736 1.00 0.00 C ATOM 1317 NZ LYS A 89 163.374 8.924 -12.241 1.00 0.00 N ATOM 0 H LYS A 89 167.479 13.295 -13.563 1.00 0.00 H new ATOM 0 HA LYS A 89 168.424 11.616 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.695 11.325 -13.826 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.440 9.881 -13.169 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.012 9.801 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 89 166.194 11.509 -11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 89 164.428 12.132 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 89 164.634 10.762 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 89 163.775 10.289 -10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 89 162.597 10.853 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 162.618 8.449 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 163.124 8.948 -13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 164.265 8.402 -12.118 1.00 0.00 H new ATOM 1331 N ILE A 90 170.141 10.131 -12.589 1.00 0.00 N ATOM 1332 CA ILE A 90 171.350 9.541 -13.151 1.00 0.00 C ATOM 1333 C ILE A 90 171.119 8.082 -13.529 1.00 0.00 C ATOM 1334 O ILE A 90 170.291 7.399 -12.926 1.00 0.00 O ATOM 1335 CB ILE A 90 172.539 9.639 -12.172 1.00 0.00 C ATOM 1336 CG1 ILE A 90 172.297 8.780 -10.928 1.00 0.00 C ATOM 1337 CG2 ILE A 90 172.779 11.088 -11.776 1.00 0.00 C ATOM 1338 CD1 ILE A 90 173.519 8.647 -10.045 1.00 0.00 C ATOM 0 H ILE A 90 169.786 9.658 -11.758 1.00 0.00 H new ATOM 0 HA ILE A 90 171.595 10.109 -14.048 1.00 0.00 H new ATOM 0 HB ILE A 90 173.428 9.261 -12.678 1.00 0.00 H new ATOM 0 HG12 ILE A 90 171.483 9.215 -10.347 1.00 0.00 H new ATOM 0 HG13 ILE A 90 171.972 7.787 -11.238 1.00 0.00 H new ATOM 0 HG21 ILE A 90 173.620 11.142 -11.085 1.00 0.00 H new ATOM 0 HG22 ILE A 90 173.002 11.676 -12.666 1.00 0.00 H new ATOM 0 HG23 ILE A 90 171.887 11.486 -11.292 1.00 0.00 H new ATOM 0 HD11 ILE A 90 173.278 8.026 -9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 90 174.328 8.184 -10.611 1.00 0.00 H new ATOM 0 HD13 ILE A 90 173.832 9.634 -9.706 1.00 0.00 H new ATOM 1350 N GLU A 91 171.850 7.612 -14.534 1.00 0.00 N ATOM 1351 CA GLU A 91 171.720 6.235 -15.001 1.00 0.00 C ATOM 1352 C GLU A 91 171.857 5.243 -13.849 1.00 0.00 C ATOM 1353 O GLU A 91 172.773 5.347 -13.032 1.00 0.00 O ATOM 1354 CB GLU A 91 172.773 5.937 -16.071 1.00 0.00 C ATOM 1355 CG GLU A 91 172.279 6.164 -17.491 1.00 0.00 C ATOM 1356 CD GLU A 91 171.021 5.378 -17.803 1.00 0.00 C ATOM 1357 OE1 GLU A 91 170.834 4.296 -17.209 1.00 0.00 O ATOM 1358 OE2 GLU A 91 170.222 5.846 -18.642 1.00 0.00 O ATOM 0 H GLU A 91 172.540 8.165 -15.042 1.00 0.00 H new ATOM 0 HA GLU A 91 170.725 6.122 -15.432 1.00 0.00 H new ATOM 0 HB2 GLU A 91 173.646 6.565 -15.894 1.00 0.00 H new ATOM 0 HB3 GLU A 91 173.099 4.902 -15.970 1.00 0.00 H new ATOM 0 HG2 GLU A 91 172.085 7.226 -17.639 1.00 0.00 H new ATOM 0 HG3 GLU A 91 173.063 5.882 -18.194 1.00 0.00 H new ATOM 1365 N VAL A 92 170.937 4.283 -13.791 1.00 0.00 N ATOM 1366 CA VAL A 92 170.947 3.266 -12.737 1.00 0.00 C ATOM 1367 C VAL A 92 172.349 2.697 -12.528 1.00 0.00 C ATOM 1368 O VAL A 92 172.754 2.428 -11.399 1.00 0.00 O ATOM 1369 CB VAL A 92 169.968 2.099 -13.029 1.00 0.00 C ATOM 1370 CG1 VAL A 92 168.774 2.155 -12.089 1.00 0.00 C ATOM 1371 CG2 VAL A 92 169.505 2.110 -14.479 1.00 0.00 C ATOM 0 H VAL A 92 170.174 4.186 -14.461 1.00 0.00 H new ATOM 0 HA VAL A 92 170.618 3.773 -11.830 1.00 0.00 H new ATOM 0 HB VAL A 92 170.505 1.166 -12.858 1.00 0.00 H new ATOM 0 HG11 VAL A 92 168.098 1.328 -12.309 1.00 0.00 H new ATOM 0 HG12 VAL A 92 169.119 2.077 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 92 168.248 3.100 -12.225 1.00 0.00 H new ATOM 0 HG21 VAL A 92 168.820 1.279 -14.649 1.00 0.00 H new ATOM 0 HG22 VAL A 92 168.995 3.050 -14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 92 170.368 2.009 -15.137 1.00 0.00 H new ATOM 1381 N ALA A 93 173.091 2.526 -13.620 1.00 0.00 N ATOM 1382 CA ALA A 93 174.450 2.002 -13.538 1.00 0.00 C ATOM 1383 C ALA A 93 175.319 2.925 -12.692 1.00 0.00 C ATOM 1384 O ALA A 93 175.852 2.525 -11.653 1.00 0.00 O ATOM 1385 CB ALA A 93 175.043 1.842 -14.930 1.00 0.00 C ATOM 0 H ALA A 93 172.776 2.741 -14.566 1.00 0.00 H new ATOM 0 HA ALA A 93 174.418 1.021 -13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 93 176.057 1.450 -14.851 1.00 0.00 H new ATOM 0 HB2 ALA A 93 174.431 1.150 -15.509 1.00 0.00 H new ATOM 0 HB3 ALA A 93 175.066 2.811 -15.429 1.00 0.00 H new ATOM 1391 N GLN A 94 175.437 4.173 -13.136 1.00 0.00 N ATOM 1392 CA GLN A 94 176.216 5.165 -12.413 1.00 0.00 C ATOM 1393 C GLN A 94 175.639 5.356 -11.017 1.00 0.00 C ATOM 1394 O GLN A 94 176.354 5.697 -10.076 1.00 0.00 O ATOM 1395 CB GLN A 94 176.223 6.494 -13.171 1.00 0.00 C ATOM 1396 CG GLN A 94 177.617 7.038 -13.430 1.00 0.00 C ATOM 1397 CD GLN A 94 178.297 7.527 -12.166 1.00 0.00 C ATOM 1398 OE1 GLN A 94 178.918 6.608 -11.435 1.00 0.00 O flip ATOM 1399 NE2 GLN A 94 178.264 8.716 -11.850 1.00 0.00 N flip ATOM 0 H GLN A 94 175.003 4.518 -13.992 1.00 0.00 H new ATOM 0 HA GLN A 94 177.244 4.813 -12.327 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.711 6.362 -14.124 1.00 0.00 H new ATOM 0 HB3 GLN A 94 175.654 7.230 -12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 94 178.227 6.260 -13.888 1.00 0.00 H new ATOM 0 HG3 GLN A 94 177.556 7.858 -14.146 1.00 0.00 H new ATOM 0 HE21 GLN A 94 177.775 9.388 -12.442 1.00 0.00 H new ATOM 0 HE22 GLN A 94 178.726 9.030 -10.996 1.00 0.00 H new ATOM 1408 N PHE A 95 174.335 5.119 -10.892 1.00 0.00 N ATOM 1409 CA PHE A 95 173.654 5.250 -9.615 1.00 0.00 C ATOM 1410 C PHE A 95 174.214 4.254 -8.614 1.00 0.00 C ATOM 1411 O PHE A 95 174.524 4.605 -7.478 1.00 0.00 O ATOM 1412 CB PHE A 95 172.153 5.029 -9.781 1.00 0.00 C ATOM 1413 CG PHE A 95 171.370 5.412 -8.563 1.00 0.00 C ATOM 1414 CD1 PHE A 95 171.132 6.743 -8.277 1.00 0.00 C ATOM 1415 CD2 PHE A 95 170.883 4.445 -7.698 1.00 0.00 C ATOM 1416 CE1 PHE A 95 170.422 7.108 -7.154 1.00 0.00 C ATOM 1417 CE2 PHE A 95 170.169 4.804 -6.571 1.00 0.00 C ATOM 1418 CZ PHE A 95 169.938 6.138 -6.298 1.00 0.00 C ATOM 0 H PHE A 95 173.732 4.835 -11.664 1.00 0.00 H new ATOM 0 HA PHE A 95 173.820 6.261 -9.242 1.00 0.00 H new ATOM 0 HB2 PHE A 95 171.797 5.609 -10.633 1.00 0.00 H new ATOM 0 HB3 PHE A 95 171.968 3.980 -10.010 1.00 0.00 H new ATOM 0 HD1 PHE A 95 171.507 7.507 -8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 95 171.063 3.401 -7.907 1.00 0.00 H new ATOM 0 HE1 PHE A 95 170.244 8.152 -6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 95 169.792 4.042 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 95 169.380 6.422 -5.418 1.00 0.00 H new ATOM 1428 N VAL A 96 174.349 3.013 -9.054 1.00 0.00 N ATOM 1429 CA VAL A 96 174.888 1.958 -8.210 1.00 0.00 C ATOM 1430 C VAL A 96 176.326 2.285 -7.826 1.00 0.00 C ATOM 1431 O VAL A 96 176.683 2.295 -6.647 1.00 0.00 O ATOM 1432 CB VAL A 96 174.839 0.592 -8.923 1.00 0.00 C ATOM 1433 CG1 VAL A 96 175.303 -0.516 -7.993 1.00 0.00 C ATOM 1434 CG2 VAL A 96 173.435 0.310 -9.439 1.00 0.00 C ATOM 0 H VAL A 96 174.092 2.711 -9.994 1.00 0.00 H new ATOM 0 HA VAL A 96 174.273 1.897 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 96 175.517 0.625 -9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 96 175.261 -1.471 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 96 176.328 -0.320 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 96 174.654 -0.552 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 96 173.419 -0.658 -9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 96 172.736 0.298 -8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 96 173.144 1.088 -10.145 1.00 0.00 H new ATOM 1444 N LYS A 97 177.143 2.571 -8.835 1.00 0.00 N ATOM 1445 CA LYS A 97 178.544 2.924 -8.614 1.00 0.00 C ATOM 1446 C LYS A 97 178.665 4.016 -7.549 1.00 0.00 C ATOM 1447 O LYS A 97 179.476 3.917 -6.623 1.00 0.00 O ATOM 1448 CB LYS A 97 179.187 3.405 -9.920 1.00 0.00 C ATOM 1449 CG LYS A 97 178.862 2.539 -11.129 1.00 0.00 C ATOM 1450 CD LYS A 97 179.970 1.541 -11.412 1.00 0.00 C ATOM 1451 CE LYS A 97 180.198 1.368 -12.905 1.00 0.00 C ATOM 1452 NZ LYS A 97 180.757 2.600 -13.528 1.00 0.00 N ATOM 0 H LYS A 97 176.860 2.566 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 97 179.066 2.033 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 97 178.860 4.425 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 97 180.269 3.437 -9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 97 177.927 2.007 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 97 178.711 3.173 -12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 97 180.893 1.877 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 97 179.716 0.578 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 97 180.880 0.534 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 97 179.255 1.112 -13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 181.267 2.348 -14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 179.983 3.255 -13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 181.413 3.058 -12.863 1.00 0.00 H new ATOM 1466 N ASP A 98 177.851 5.061 -7.678 1.00 0.00 N ATOM 1467 CA ASP A 98 177.877 6.154 -6.716 1.00 0.00 C ATOM 1468 C ASP A 98 177.511 5.644 -5.348 1.00 0.00 C ATOM 1469 O ASP A 98 178.262 5.775 -4.383 1.00 0.00 O ATOM 1470 CB ASP A 98 176.939 7.284 -7.141 1.00 0.00 C ATOM 1471 CG ASP A 98 177.646 8.346 -7.960 1.00 0.00 C ATOM 1472 OD1 ASP A 98 178.662 8.017 -8.607 1.00 0.00 O ATOM 1473 OD2 ASP A 98 177.184 9.506 -7.954 1.00 0.00 O ATOM 0 H ASP A 98 177.173 5.172 -8.432 1.00 0.00 H new ATOM 0 HA ASP A 98 178.888 6.559 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.115 6.869 -7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.503 7.744 -6.254 1.00 0.00 H new ATOM 1478 N LEU A 99 176.373 5.016 -5.300 1.00 0.00 N ATOM 1479 CA LEU A 99 175.868 4.404 -4.096 1.00 0.00 C ATOM 1480 C LEU A 99 177.001 3.681 -3.361 1.00 0.00 C ATOM 1481 O LEU A 99 177.049 3.652 -2.131 1.00 0.00 O ATOM 1482 CB LEU A 99 174.792 3.442 -4.561 1.00 0.00 C ATOM 1483 CG LEU A 99 174.671 2.106 -3.820 1.00 0.00 C ATOM 1484 CD1 LEU A 99 173.640 2.207 -2.707 1.00 0.00 C ATOM 1485 CD2 LEU A 99 174.298 0.995 -4.791 1.00 0.00 C ATOM 0 H LEU A 99 175.757 4.910 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 99 175.463 5.130 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 99 173.832 3.953 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 99 174.965 3.228 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 99 175.637 1.868 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 99 173.567 1.250 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 99 173.943 2.978 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 99 172.670 2.465 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 99 174.216 0.052 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 99 173.343 1.228 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 99 175.068 0.908 -5.557 1.00 0.00 H new ATOM 1497 N LEU A 100 177.919 3.115 -4.146 1.00 0.00 N ATOM 1498 CA LEU A 100 179.070 2.402 -3.604 1.00 0.00 C ATOM 1499 C LEU A 100 180.086 3.381 -3.030 1.00 0.00 C ATOM 1500 O LEU A 100 180.607 3.171 -1.937 1.00 0.00 O ATOM 1501 CB LEU A 100 179.717 1.534 -4.695 1.00 0.00 C ATOM 1502 CG LEU A 100 181.126 0.996 -4.393 1.00 0.00 C ATOM 1503 CD1 LEU A 100 182.184 1.983 -4.861 1.00 0.00 C ATOM 1504 CD2 LEU A 100 181.302 0.688 -2.908 1.00 0.00 C ATOM 0 H LEU A 100 177.884 3.139 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 100 178.728 1.753 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 100 179.062 0.685 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 100 179.764 2.118 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 100 181.249 0.062 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 100 183.175 1.586 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 100 182.087 2.138 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 100 182.049 2.933 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 100 182.309 0.310 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 100 181.149 1.598 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 100 180.574 -0.064 -2.604 1.00 0.00 H new ATOM 1516 N LEU A 101 180.372 4.450 -3.768 1.00 0.00 N ATOM 1517 CA LEU A 101 181.336 5.447 -3.304 1.00 0.00 C ATOM 1518 C LEU A 101 180.977 5.955 -1.917 1.00 0.00 C ATOM 1519 O LEU A 101 181.792 5.935 -0.993 1.00 0.00 O ATOM 1520 CB LEU A 101 181.422 6.625 -4.285 1.00 0.00 C ATOM 1521 CG LEU A 101 180.281 7.653 -4.262 1.00 0.00 C ATOM 1522 CD1 LEU A 101 180.516 8.710 -3.193 1.00 0.00 C ATOM 1523 CD2 LEU A 101 180.138 8.309 -5.627 1.00 0.00 C ATOM 0 H LEU A 101 179.957 4.648 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 101 182.310 4.960 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 101 182.355 7.154 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 101 181.488 6.218 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 101 179.357 7.128 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 101 179.692 9.424 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 101 180.573 8.232 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 101 181.451 9.232 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 101 179.326 9.036 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 101 181.068 8.814 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 101 179.917 7.548 -6.375 1.00 0.00 H new ATOM 1535 N HIS A 102 179.755 6.424 -1.798 1.00 0.00 N ATOM 1536 CA HIS A 102 179.252 6.970 -0.542 1.00 0.00 C ATOM 1537 C HIS A 102 179.166 5.903 0.550 1.00 0.00 C ATOM 1538 O HIS A 102 179.632 6.115 1.669 1.00 0.00 O ATOM 1539 CB HIS A 102 177.888 7.641 -0.765 1.00 0.00 C ATOM 1540 CG HIS A 102 176.703 6.774 -0.458 1.00 0.00 C ATOM 1541 ND1 HIS A 102 175.906 6.268 -1.455 1.00 0.00 N ATOM 1542 CD2 HIS A 102 176.219 6.373 0.742 1.00 0.00 C ATOM 1543 CE1 HIS A 102 174.961 5.575 -0.847 1.00 0.00 C ATOM 1544 NE2 HIS A 102 175.109 5.610 0.487 1.00 0.00 N ATOM 0 H HIS A 102 179.079 6.441 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 102 179.961 7.722 -0.196 1.00 0.00 H new ATOM 0 HB2 HIS A 102 177.834 8.537 -0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 102 177.824 7.965 -1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 102 176.629 6.609 1.713 1.00 0.00 H new ATOM 0 HE1 HIS A 102 174.169 5.047 -1.358 1.00 0.00 H new ATOM 0 HE2 HIS A 102 174.511 5.156 1.178 1.00 0.00 H new ATOM 1552 N LEU A 103 178.561 4.764 0.229 1.00 0.00 N ATOM 1553 CA LEU A 103 178.413 3.685 1.197 1.00 0.00 C ATOM 1554 C LEU A 103 179.757 3.284 1.800 1.00 0.00 C ATOM 1555 O LEU A 103 179.909 3.239 3.020 1.00 0.00 O ATOM 1556 CB LEU A 103 177.754 2.478 0.536 1.00 0.00 C ATOM 1557 CG LEU A 103 176.227 2.501 0.541 1.00 0.00 C ATOM 1558 CD1 LEU A 103 175.679 1.481 -0.439 1.00 0.00 C ATOM 1559 CD2 LEU A 103 175.690 2.247 1.943 1.00 0.00 C ATOM 0 H LEU A 103 178.167 4.565 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 103 177.779 4.046 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 103 178.099 2.413 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 103 178.092 1.574 1.043 1.00 0.00 H new ATOM 0 HG LEU A 103 175.896 3.491 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 103 174.590 1.510 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 103 176.034 1.714 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 103 176.019 0.485 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 103 174.600 2.268 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 103 176.029 1.271 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 103 176.056 3.020 2.618 1.00 0.00 H new ATOM 1571 N LYS A 104 180.728 2.995 0.941 1.00 0.00 N ATOM 1572 CA LYS A 104 182.053 2.599 1.400 1.00 0.00 C ATOM 1573 C LYS A 104 182.710 3.727 2.190 1.00 0.00 C ATOM 1574 O LYS A 104 183.387 3.484 3.184 1.00 0.00 O ATOM 1575 CB LYS A 104 182.933 2.188 0.210 1.00 0.00 C ATOM 1576 CG LYS A 104 183.688 3.341 -0.441 1.00 0.00 C ATOM 1577 CD LYS A 104 184.001 3.056 -1.901 1.00 0.00 C ATOM 1578 CE LYS A 104 184.770 1.755 -2.068 1.00 0.00 C ATOM 1579 NZ LYS A 104 186.085 1.793 -1.371 1.00 0.00 N ATOM 0 H LYS A 104 180.623 3.027 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 104 181.944 1.739 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 104 183.653 1.442 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 104 182.306 1.709 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 104 183.094 4.252 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 104 184.616 3.521 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 104 183.072 3.005 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 104 184.583 3.879 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 104 184.176 0.929 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 104 184.927 1.560 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 186.570 0.882 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 186.669 2.554 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 185.936 1.970 -0.357 1.00 0.00 H new ATOM 1593 N LYS A 105 182.506 4.960 1.741 1.00 0.00 N ATOM 1594 CA LYS A 105 183.081 6.118 2.412 1.00 0.00 C ATOM 1595 C LYS A 105 182.525 6.264 3.827 1.00 0.00 C ATOM 1596 O LYS A 105 183.201 6.774 4.721 1.00 0.00 O ATOM 1597 CB LYS A 105 182.801 7.387 1.604 1.00 0.00 C ATOM 1598 CG LYS A 105 184.035 7.958 0.926 1.00 0.00 C ATOM 1599 CD LYS A 105 183.710 8.505 -0.455 1.00 0.00 C ATOM 1600 CE LYS A 105 184.901 8.390 -1.393 1.00 0.00 C ATOM 1601 NZ LYS A 105 184.990 7.041 -2.015 1.00 0.00 N ATOM 0 H LYS A 105 181.948 5.183 0.917 1.00 0.00 H new ATOM 0 HA LYS A 105 184.158 5.969 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 105 182.049 7.167 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.377 8.143 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 105 184.456 8.752 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.796 7.183 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 105 182.862 7.962 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 105 183.410 9.550 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 105 184.822 9.146 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 105 185.818 8.597 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 185.815 7.004 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 185.091 6.322 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 184.126 6.853 -2.562 1.00 0.00 H new ATOM 1615 N LEU A 106 181.290 5.815 4.022 1.00 0.00 N ATOM 1616 CA LEU A 106 180.641 5.901 5.325 1.00 0.00 C ATOM 1617 C LEU A 106 181.076 4.761 6.228 1.00 0.00 C ATOM 1618 O LEU A 106 181.613 4.981 7.313 1.00 0.00 O ATOM 1619 CB LEU A 106 179.120 5.894 5.162 1.00 0.00 C ATOM 1620 CG LEU A 106 178.481 7.276 5.022 1.00 0.00 C ATOM 1621 CD1 LEU A 106 178.688 7.819 3.617 1.00 0.00 C ATOM 1622 CD2 LEU A 106 176.999 7.214 5.360 1.00 0.00 C ATOM 0 H LEU A 106 180.718 5.387 3.294 1.00 0.00 H new ATOM 0 HA LEU A 106 180.943 6.839 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 106 178.866 5.302 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 106 178.679 5.392 6.023 1.00 0.00 H new ATOM 0 HG LEU A 106 178.965 7.953 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 106 178.227 8.803 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 106 179.755 7.901 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 106 178.230 7.143 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.560 8.206 5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.500 6.523 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 106 176.874 6.869 6.386 1.00 0.00 H new ATOM 1634 N PHE A 107 180.844 3.544 5.769 1.00 0.00 N ATOM 1635 CA PHE A 107 181.216 2.361 6.532 1.00 0.00 C ATOM 1636 C PHE A 107 182.712 2.366 6.835 1.00 0.00 C ATOM 1637 O PHE A 107 183.166 1.724 7.782 1.00 0.00 O ATOM 1638 CB PHE A 107 180.828 1.085 5.777 1.00 0.00 C ATOM 1639 CG PHE A 107 180.137 0.071 6.643 1.00 0.00 C ATOM 1640 CD1 PHE A 107 180.863 -0.730 7.509 1.00 0.00 C ATOM 1641 CD2 PHE A 107 178.761 -0.078 6.593 1.00 0.00 C ATOM 1642 CE1 PHE A 107 180.230 -1.662 8.308 1.00 0.00 C ATOM 1643 CE2 PHE A 107 178.121 -1.008 7.390 1.00 0.00 C ATOM 1644 CZ PHE A 107 178.857 -1.802 8.248 1.00 0.00 C ATOM 0 H PHE A 107 180.400 3.347 4.872 1.00 0.00 H new ATOM 0 HA PHE A 107 180.672 2.380 7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 107 180.175 1.348 4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 107 181.725 0.637 5.349 1.00 0.00 H new ATOM 0 HD1 PHE A 107 181.937 -0.625 7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 107 178.181 0.540 5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 107 180.808 -2.281 8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 107 177.047 -1.114 7.342 1.00 0.00 H new ATOM 0 HZ PHE A 107 178.360 -2.531 8.871 1.00 0.00 H new ATOM 1654 N ARG A 108 183.476 3.095 6.024 1.00 0.00 N ATOM 1655 CA ARG A 108 184.921 3.179 6.210 1.00 0.00 C ATOM 1656 C ARG A 108 185.301 4.365 7.096 1.00 0.00 C ATOM 1657 O ARG A 108 186.223 4.271 7.904 1.00 0.00 O ATOM 1658 CB ARG A 108 185.628 3.296 4.858 1.00 0.00 C ATOM 1659 CG ARG A 108 185.543 2.034 4.016 1.00 0.00 C ATOM 1660 CD ARG A 108 186.042 2.274 2.600 1.00 0.00 C ATOM 1661 NE ARG A 108 186.318 1.024 1.897 1.00 0.00 N ATOM 1662 CZ ARG A 108 187.358 0.238 2.164 1.00 0.00 C ATOM 1663 NH1 ARG A 108 188.222 0.568 3.117 1.00 0.00 N ATOM 1664 NH2 ARG A 108 187.536 -0.882 1.476 1.00 0.00 N ATOM 0 H ARG A 108 183.119 3.634 5.235 1.00 0.00 H new ATOM 0 HA ARG A 108 185.243 2.264 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 108 185.192 4.125 4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 108 186.677 3.541 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 108 186.133 1.244 4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 108 184.511 1.685 3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 108 185.297 2.845 2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 108 186.948 2.879 2.633 1.00 0.00 H new ATOM 0 HE ARG A 108 185.676 0.737 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 108 188.090 1.428 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 108 189.017 -0.039 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 108 186.876 -1.140 0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 108 188.333 -1.485 1.680 1.00 0.00 H new ATOM 1678 N GLU A 109 184.597 5.482 6.933 1.00 0.00 N ATOM 1679 CA GLU A 109 184.882 6.681 7.719 1.00 0.00 C ATOM 1680 C GLU A 109 184.394 6.544 9.161 1.00 0.00 C ATOM 1681 O GLU A 109 184.804 7.310 10.033 1.00 0.00 O ATOM 1682 CB GLU A 109 184.237 7.907 7.071 1.00 0.00 C ATOM 1683 CG GLU A 109 185.013 8.446 5.881 1.00 0.00 C ATOM 1684 CD GLU A 109 185.913 9.609 6.250 1.00 0.00 C ATOM 1685 OE1 GLU A 109 185.551 10.371 7.170 1.00 0.00 O ATOM 1686 OE2 GLU A 109 186.981 9.756 5.619 1.00 0.00 O ATOM 0 H GLU A 109 183.830 5.583 6.269 1.00 0.00 H new ATOM 0 HA GLU A 109 185.965 6.806 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 109 183.228 7.649 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 109 184.141 8.695 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 109 185.617 7.646 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 109 184.312 8.764 5.109 1.00 0.00 H new ATOM 1693 N GLY A 110 183.514 5.578 9.410 1.00 0.00 N ATOM 1694 CA GLY A 110 182.991 5.386 10.753 1.00 0.00 C ATOM 1695 C GLY A 110 183.097 3.954 11.238 1.00 0.00 C ATOM 1696 O GLY A 110 183.315 3.710 12.425 1.00 0.00 O ATOM 0 H GLY A 110 183.155 4.928 8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 110 183.530 6.037 11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 110 181.946 5.694 10.776 1.00 0.00 H new