USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 588 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 Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0138) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.583 (180deg=-1.45) USER MOD Single : A 29 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.24) USER MOD Single : A 31 GLN : amide:sc= -0.379 K(o=-0.38,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.355 K(o=-0.36,f=-1.9!) USER MOD Single : A 41 GLN : amide:sc= 0.354 K(o=0.35,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.14) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.441 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -93:sc= 1.24 (180deg=-0.11) USER MOD Single : A 65 SER OG : rot 63:sc= 0.524 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00551 X(o=-0.0055,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -11.220 -5.844 1.941 1.00 43.05 N ATOM 19 CA GLN A 2 -9.831 -6.290 1.889 1.00 31.43 C ATOM 20 C GLN A 2 -9.287 -6.067 0.476 1.00 71.24 C ATOM 21 O GLN A 2 -10.059 -5.950 -0.477 1.00 44.31 O ATOM 22 CB GLN A 2 -9.769 -7.785 2.250 1.00 71.31 C ATOM 23 CG GLN A 2 -10.386 -8.108 3.625 1.00 74.13 C ATOM 24 CD GLN A 2 -10.499 -9.609 3.874 1.00 71.34 C ATOM 25 OE1 GLN A 2 -10.940 -10.356 3.004 1.00 54.41 O ATOM 26 NE2 GLN A 2 -10.151 -10.067 5.061 1.00 53.31 N ATOM 0 HA GLN A 2 -9.227 -5.725 2.599 1.00 31.43 H new ATOM 0 HB2 GLN A 2 -10.289 -8.358 1.483 1.00 71.31 H new ATOM 0 HB3 GLN A 2 -8.729 -8.111 2.241 1.00 71.31 H new ATOM 0 HG2 GLN A 2 -9.777 -7.657 4.408 1.00 74.13 H new ATOM 0 HG3 GLN A 2 -11.376 -7.656 3.691 1.00 74.13 H new ATOM 0 HE21 GLN A 2 -9.787 -9.428 5.768 1.00 53.31 H new ATOM 0 HE22 GLN A 2 -10.246 -11.060 5.272 1.00 53.31 H new ATOM 35 N ILE A 3 -7.971 -5.936 0.362 1.00 10.14 N ATOM 36 CA ILE A 3 -7.178 -5.707 -0.839 1.00 65.54 C ATOM 37 C ILE A 3 -5.808 -6.361 -0.619 1.00 50.12 C ATOM 38 O ILE A 3 -5.489 -6.740 0.512 1.00 45.50 O ATOM 39 CB ILE A 3 -7.056 -4.192 -1.119 1.00 33.12 C ATOM 40 CG1 ILE A 3 -6.602 -3.388 0.121 1.00 43.40 C ATOM 41 CG2 ILE A 3 -8.403 -3.654 -1.612 1.00 3.01 C ATOM 42 CD1 ILE A 3 -6.447 -1.887 -0.136 1.00 1.53 C ATOM 0 H ILE A 3 -7.375 -5.993 1.188 1.00 10.14 H new ATOM 0 HA ILE A 3 -7.654 -6.149 -1.714 1.00 65.54 H new ATOM 0 HB ILE A 3 -6.289 -4.066 -1.883 1.00 33.12 H new ATOM 0 HG12 ILE A 3 -7.325 -3.537 0.923 1.00 43.40 H new ATOM 0 HG13 ILE A 3 -5.650 -3.787 0.472 1.00 43.40 H new ATOM 0 HG21 ILE A 3 -8.318 -2.585 -1.810 1.00 3.01 H new ATOM 0 HG22 ILE A 3 -8.688 -4.171 -2.528 1.00 3.01 H new ATOM 0 HG23 ILE A 3 -9.163 -3.822 -0.849 1.00 3.01 H new ATOM 0 HD11 ILE A 3 -6.126 -1.392 0.781 1.00 1.53 H new ATOM 0 HD12 ILE A 3 -5.702 -1.726 -0.915 1.00 1.53 H new ATOM 0 HD13 ILE A 3 -7.403 -1.472 -0.457 1.00 1.53 H new ATOM 54 N PHE A 4 -4.996 -6.499 -1.670 1.00 74.02 N ATOM 55 CA PHE A 4 -3.673 -7.114 -1.577 1.00 11.52 C ATOM 56 C PHE A 4 -2.625 -6.199 -2.204 1.00 3.23 C ATOM 57 O PHE A 4 -2.903 -5.437 -3.137 1.00 45.14 O ATOM 58 CB PHE A 4 -3.691 -8.524 -2.183 1.00 41.32 C ATOM 59 CG PHE A 4 -4.195 -8.607 -3.607 1.00 63.02 C ATOM 60 CD1 PHE A 4 -3.299 -8.454 -4.678 1.00 64.45 C ATOM 61 CD2 PHE A 4 -5.559 -8.830 -3.865 1.00 71.11 C ATOM 62 CE1 PHE A 4 -3.767 -8.488 -6.001 1.00 22.24 C ATOM 63 CE2 PHE A 4 -6.021 -8.873 -5.189 1.00 15.21 C ATOM 64 CZ PHE A 4 -5.131 -8.693 -6.258 1.00 62.43 C ATOM 0 H PHE A 4 -5.239 -6.186 -2.610 1.00 74.02 H new ATOM 0 HA PHE A 4 -3.396 -7.236 -0.530 1.00 11.52 H new ATOM 0 HB2 PHE A 4 -2.680 -8.930 -2.148 1.00 41.32 H new ATOM 0 HB3 PHE A 4 -4.313 -9.163 -1.557 1.00 41.32 H new ATOM 0 HD1 PHE A 4 -2.247 -8.310 -4.483 1.00 64.45 H new ATOM 0 HD2 PHE A 4 -6.249 -8.968 -3.046 1.00 71.11 H new ATOM 0 HE1 PHE A 4 -3.077 -8.356 -6.821 1.00 22.24 H new ATOM 0 HE2 PHE A 4 -7.069 -9.046 -5.386 1.00 15.21 H new ATOM 0 HZ PHE A 4 -5.494 -8.712 -7.275 1.00 62.43 H new ATOM 74 N VAL A 5 -1.388 -6.313 -1.723 1.00 60.13 N ATOM 75 CA VAL A 5 -0.278 -5.483 -2.183 1.00 2.43 C ATOM 76 C VAL A 5 0.968 -6.303 -2.509 1.00 24.02 C ATOM 77 O VAL A 5 1.330 -7.220 -1.770 1.00 20.15 O ATOM 78 CB VAL A 5 0.036 -4.417 -1.112 1.00 0.21 C ATOM 79 CG1 VAL A 5 0.815 -3.270 -1.760 1.00 14.23 C ATOM 80 CG2 VAL A 5 -1.201 -3.841 -0.406 1.00 64.14 C ATOM 0 H VAL A 5 -1.128 -6.985 -1.002 1.00 60.13 H new ATOM 0 HA VAL A 5 -0.581 -4.999 -3.111 1.00 2.43 H new ATOM 0 HB VAL A 5 0.620 -4.924 -0.343 1.00 0.21 H new ATOM 0 HG11 VAL A 5 1.040 -2.513 -1.009 1.00 14.23 H new ATOM 0 HG12 VAL A 5 1.745 -3.653 -2.179 1.00 14.23 H new ATOM 0 HG13 VAL A 5 0.215 -2.826 -2.554 1.00 14.23 H new ATOM 0 HG21 VAL A 5 -0.888 -3.100 0.330 1.00 64.14 H new ATOM 0 HG22 VAL A 5 -1.853 -3.369 -1.141 1.00 64.14 H new ATOM 0 HG23 VAL A 5 -1.741 -4.644 0.095 1.00 64.14 H new ATOM 90 N LYS A 6 1.663 -5.946 -3.591 1.00 13.52 N ATOM 91 CA LYS A 6 2.890 -6.580 -4.072 1.00 32.21 C ATOM 92 C LYS A 6 3.908 -5.502 -4.440 1.00 12.33 C ATOM 93 O LYS A 6 3.527 -4.362 -4.733 1.00 53.10 O ATOM 94 CB LYS A 6 2.568 -7.530 -5.238 1.00 60.54 C ATOM 95 CG LYS A 6 1.968 -6.822 -6.472 1.00 65.11 C ATOM 96 CD LYS A 6 0.866 -7.653 -7.147 1.00 4.23 C ATOM 97 CE LYS A 6 1.376 -8.795 -8.035 1.00 40.43 C ATOM 98 NZ LYS A 6 2.013 -8.299 -9.269 1.00 2.21 N ATOM 0 H LYS A 6 1.370 -5.169 -4.184 1.00 13.52 H new ATOM 0 HA LYS A 6 3.337 -7.191 -3.288 1.00 32.21 H new ATOM 0 HB2 LYS A 6 3.480 -8.047 -5.535 1.00 60.54 H new ATOM 0 HB3 LYS A 6 1.869 -8.291 -4.892 1.00 60.54 H new ATOM 0 HG2 LYS A 6 1.559 -5.858 -6.171 1.00 65.11 H new ATOM 0 HG3 LYS A 6 2.760 -6.621 -7.193 1.00 65.11 H new ATOM 0 HD2 LYS A 6 0.221 -8.072 -6.374 1.00 4.23 H new ATOM 0 HD3 LYS A 6 0.248 -6.989 -7.752 1.00 4.23 H new ATOM 0 HE2 LYS A 6 2.092 -9.396 -7.475 1.00 40.43 H new ATOM 0 HE3 LYS A 6 0.544 -9.450 -8.295 1.00 40.43 H new ATOM 0 HZ1 LYS A 6 2.266 -9.104 -9.877 1.00 2.21 H new ATOM 0 HZ2 LYS A 6 1.351 -7.677 -9.776 1.00 2.21 H new ATOM 0 HZ3 LYS A 6 2.872 -7.765 -9.026 1.00 2.21 H new ATOM 112 N THR A 7 5.197 -5.825 -4.356 1.00 54.21 N ATOM 113 CA THR A 7 6.251 -4.877 -4.698 1.00 11.35 C ATOM 114 C THR A 7 6.416 -4.833 -6.226 1.00 43.23 C ATOM 115 O THR A 7 5.745 -5.574 -6.953 1.00 33.34 O ATOM 116 CB THR A 7 7.545 -5.202 -3.934 1.00 42.14 C ATOM 117 OG1 THR A 7 8.124 -6.430 -4.331 1.00 12.14 O ATOM 118 CG2 THR A 7 7.339 -5.221 -2.416 1.00 24.42 C ATOM 0 H THR A 7 5.535 -6.738 -4.053 1.00 54.21 H new ATOM 0 HA THR A 7 5.978 -3.871 -4.381 1.00 11.35 H new ATOM 0 HB THR A 7 8.230 -4.394 -4.192 1.00 42.14 H new ATOM 0 HG1 THR A 7 8.943 -6.587 -3.816 1.00 12.14 H new ATOM 0 HG21 THR A 7 8.283 -5.455 -1.924 1.00 24.42 H new ATOM 0 HG22 THR A 7 6.989 -4.243 -2.084 1.00 24.42 H new ATOM 0 HG23 THR A 7 6.598 -5.978 -2.159 1.00 24.42 H new ATOM 126 N LEU A 8 7.311 -3.988 -6.750 1.00 42.05 N ATOM 127 CA LEU A 8 7.517 -3.884 -8.191 1.00 12.33 C ATOM 128 C LEU A 8 8.247 -5.110 -8.746 1.00 3.13 C ATOM 129 O LEU A 8 7.881 -5.564 -9.830 1.00 53.32 O ATOM 130 CB LEU A 8 8.241 -2.562 -8.480 1.00 20.44 C ATOM 131 CG LEU A 8 8.368 -2.210 -9.973 1.00 30.33 C ATOM 132 CD1 LEU A 8 8.355 -0.686 -10.141 1.00 24.13 C ATOM 133 CD2 LEU A 8 9.652 -2.779 -10.569 1.00 63.44 C ATOM 0 H LEU A 8 7.902 -3.369 -6.195 1.00 42.05 H new ATOM 0 HA LEU A 8 6.558 -3.871 -8.709 1.00 12.33 H new ATOM 0 HB2 LEU A 8 7.710 -1.755 -7.975 1.00 20.44 H new ATOM 0 HB3 LEU A 8 9.240 -2.608 -8.046 1.00 20.44 H new ATOM 0 HG LEU A 8 7.523 -2.652 -10.502 1.00 30.33 H new ATOM 0 HD11 LEU A 8 8.445 -0.436 -11.198 1.00 24.13 H new ATOM 0 HD12 LEU A 8 7.419 -0.285 -9.751 1.00 24.13 H new ATOM 0 HD13 LEU A 8 9.192 -0.252 -9.593 1.00 24.13 H new ATOM 0 HD21 LEU A 8 9.712 -2.513 -11.624 1.00 63.44 H new ATOM 0 HD22 LEU A 8 10.512 -2.367 -10.041 1.00 63.44 H new ATOM 0 HD23 LEU A 8 9.650 -3.864 -10.468 1.00 63.44 H new ATOM 145 N THR A 9 9.165 -5.711 -7.989 1.00 52.40 N ATOM 146 CA THR A 9 9.926 -6.898 -8.370 1.00 0.31 C ATOM 147 C THR A 9 9.857 -7.857 -7.187 1.00 34.42 C ATOM 148 O THR A 9 10.694 -7.779 -6.282 1.00 32.34 O ATOM 149 CB THR A 9 11.388 -6.567 -8.766 1.00 15.43 C ATOM 150 OG1 THR A 9 11.899 -5.403 -8.135 1.00 35.12 O ATOM 151 CG2 THR A 9 11.544 -6.375 -10.270 1.00 63.52 C ATOM 0 H THR A 9 9.407 -5.370 -7.059 1.00 52.40 H new ATOM 0 HA THR A 9 9.496 -7.352 -9.263 1.00 0.31 H new ATOM 0 HB THR A 9 11.956 -7.433 -8.427 1.00 15.43 H new ATOM 0 HG1 THR A 9 12.823 -5.252 -8.426 1.00 35.12 H new ATOM 0 HG21 THR A 9 12.584 -6.145 -10.501 1.00 63.52 H new ATOM 0 HG22 THR A 9 11.251 -7.289 -10.786 1.00 63.52 H new ATOM 0 HG23 THR A 9 10.909 -5.553 -10.600 1.00 63.52 H new ATOM 159 N GLY A 10 8.848 -8.726 -7.144 1.00 53.32 N ATOM 160 CA GLY A 10 8.706 -9.674 -6.055 1.00 14.33 C ATOM 161 C GLY A 10 7.443 -10.501 -6.164 1.00 35.21 C ATOM 162 O GLY A 10 6.575 -10.241 -6.999 1.00 52.43 O ATOM 0 H GLY A 10 8.119 -8.788 -7.855 1.00 53.32 H new ATOM 0 HA2 GLY A 10 9.570 -10.338 -6.041 1.00 14.33 H new ATOM 0 HA3 GLY A 10 8.702 -9.135 -5.107 1.00 14.33 H new ATOM 166 N LYS A 11 7.350 -11.520 -5.314 1.00 1.23 N ATOM 167 CA LYS A 11 6.215 -12.430 -5.279 1.00 4.44 C ATOM 168 C LYS A 11 4.965 -11.739 -4.748 1.00 25.44 C ATOM 169 O LYS A 11 5.022 -10.670 -4.131 1.00 74.24 O ATOM 170 CB LYS A 11 6.591 -13.662 -4.441 1.00 43.25 C ATOM 171 CG LYS A 11 7.570 -14.572 -5.201 1.00 44.31 C ATOM 172 CD LYS A 11 6.930 -15.871 -5.706 1.00 21.44 C ATOM 173 CE LYS A 11 5.788 -15.638 -6.702 1.00 21.12 C ATOM 174 NZ LYS A 11 5.275 -16.916 -7.238 1.00 60.44 N ATOM 0 H LYS A 11 8.069 -11.737 -4.624 1.00 1.23 H new ATOM 0 HA LYS A 11 5.977 -12.753 -6.292 1.00 4.44 H new ATOM 0 HB2 LYS A 11 7.042 -13.342 -3.501 1.00 43.25 H new ATOM 0 HB3 LYS A 11 5.691 -14.222 -4.188 1.00 43.25 H new ATOM 0 HG2 LYS A 11 7.979 -14.024 -6.050 1.00 44.31 H new ATOM 0 HG3 LYS A 11 8.407 -14.819 -4.547 1.00 44.31 H new ATOM 0 HD2 LYS A 11 7.696 -16.485 -6.180 1.00 21.44 H new ATOM 0 HD3 LYS A 11 6.550 -16.436 -4.854 1.00 21.44 H new ATOM 0 HE2 LYS A 11 4.979 -15.096 -6.211 1.00 21.12 H new ATOM 0 HE3 LYS A 11 6.140 -15.012 -7.522 1.00 21.12 H new ATOM 0 HZ1 LYS A 11 4.503 -16.726 -7.909 1.00 60.44 H new ATOM 0 HZ2 LYS A 11 6.042 -17.421 -7.726 1.00 60.44 H new ATOM 0 HZ3 LYS A 11 4.918 -17.502 -6.456 1.00 60.44 H new ATOM 188 N THR A 12 3.832 -12.388 -4.967 1.00 32.11 N ATOM 189 CA THR A 12 2.516 -11.945 -4.562 1.00 22.32 C ATOM 190 C THR A 12 2.326 -12.176 -3.068 1.00 30.11 C ATOM 191 O THR A 12 2.755 -13.206 -2.540 1.00 0.22 O ATOM 192 CB THR A 12 1.488 -12.796 -5.330 1.00 25.51 C ATOM 193 OG1 THR A 12 1.839 -14.174 -5.276 1.00 41.34 O ATOM 194 CG2 THR A 12 1.415 -12.384 -6.800 1.00 4.24 C ATOM 0 H THR A 12 3.809 -13.282 -5.457 1.00 32.11 H new ATOM 0 HA THR A 12 2.393 -10.883 -4.774 1.00 22.32 H new ATOM 0 HB THR A 12 0.520 -12.633 -4.855 1.00 25.51 H new ATOM 0 HG1 THR A 12 1.174 -14.700 -5.767 1.00 41.34 H new ATOM 0 HG21 THR A 12 0.681 -13.003 -7.315 1.00 4.24 H new ATOM 0 HG22 THR A 12 1.120 -11.337 -6.870 1.00 4.24 H new ATOM 0 HG23 THR A 12 2.392 -12.518 -7.264 1.00 4.24 H new ATOM 202 N ILE A 13 1.805 -11.192 -2.350 1.00 64.34 N ATOM 203 CA ILE A 13 1.500 -11.283 -0.933 1.00 15.34 C ATOM 204 C ILE A 13 0.107 -10.677 -0.778 1.00 42.15 C ATOM 205 O ILE A 13 -0.258 -9.758 -1.520 1.00 34.21 O ATOM 206 CB ILE A 13 2.627 -10.796 -0.006 1.00 72.31 C ATOM 207 CG1 ILE A 13 2.208 -11.009 1.465 1.00 41.31 C ATOM 208 CG2 ILE A 13 3.073 -9.354 -0.257 1.00 22.31 C ATOM 209 CD1 ILE A 13 3.407 -11.197 2.390 1.00 20.32 C ATOM 0 H ILE A 13 1.577 -10.282 -2.751 1.00 64.34 H new ATOM 0 HA ILE A 13 1.460 -12.311 -0.573 1.00 15.34 H new ATOM 0 HB ILE A 13 3.506 -11.398 -0.235 1.00 72.31 H new ATOM 0 HG12 ILE A 13 1.624 -10.152 1.801 1.00 41.31 H new ATOM 0 HG13 ILE A 13 1.560 -11.883 1.532 1.00 41.31 H new ATOM 0 HG21 ILE A 13 3.870 -9.093 0.440 1.00 22.31 H new ATOM 0 HG22 ILE A 13 3.439 -9.259 -1.279 1.00 22.31 H new ATOM 0 HG23 ILE A 13 2.228 -8.681 -0.110 1.00 22.31 H new ATOM 0 HD11 ILE A 13 3.058 -11.343 3.412 1.00 20.32 H new ATOM 0 HD12 ILE A 13 3.978 -12.070 2.073 1.00 20.32 H new ATOM 0 HD13 ILE A 13 4.043 -10.313 2.346 1.00 20.32 H new ATOM 221 N THR A 14 -0.688 -11.243 0.113 1.00 72.33 N ATOM 222 CA THR A 14 -2.051 -10.851 0.390 1.00 53.13 C ATOM 223 C THR A 14 -2.164 -10.164 1.751 1.00 52.34 C ATOM 224 O THR A 14 -1.369 -10.427 2.661 1.00 41.03 O ATOM 225 CB THR A 14 -2.938 -12.093 0.205 1.00 44.34 C ATOM 226 OG1 THR A 14 -2.448 -13.204 0.930 1.00 65.22 O ATOM 227 CG2 THR A 14 -2.980 -12.501 -1.271 1.00 74.24 C ATOM 0 H THR A 14 -0.381 -12.027 0.689 1.00 72.33 H new ATOM 0 HA THR A 14 -2.404 -10.091 -0.308 1.00 53.13 H new ATOM 0 HB THR A 14 -3.929 -11.823 0.570 1.00 44.34 H new ATOM 0 HG1 THR A 14 -3.039 -13.973 0.789 1.00 65.22 H new ATOM 0 HG21 THR A 14 -3.612 -13.382 -1.387 1.00 74.24 H new ATOM 0 HG22 THR A 14 -3.387 -11.682 -1.864 1.00 74.24 H new ATOM 0 HG23 THR A 14 -1.971 -12.730 -1.614 1.00 74.24 H new ATOM 235 N LEU A 15 -3.117 -9.234 1.872 1.00 12.24 N ATOM 236 CA LEU A 15 -3.375 -8.492 3.099 1.00 2.02 C ATOM 237 C LEU A 15 -4.846 -8.674 3.474 1.00 52.34 C ATOM 238 O LEU A 15 -5.710 -8.954 2.636 1.00 24.24 O ATOM 239 CB LEU A 15 -3.024 -6.996 2.929 1.00 40.04 C ATOM 240 CG LEU A 15 -1.938 -6.497 3.902 1.00 43.00 C ATOM 241 CD1 LEU A 15 -1.629 -5.022 3.615 1.00 2.13 C ATOM 242 CD2 LEU A 15 -2.345 -6.633 5.377 1.00 44.31 C ATOM 0 H LEU A 15 -3.738 -8.976 1.105 1.00 12.24 H new ATOM 0 HA LEU A 15 -2.743 -8.876 3.900 1.00 2.02 H new ATOM 0 HB2 LEU A 15 -2.688 -6.825 1.906 1.00 40.04 H new ATOM 0 HB3 LEU A 15 -3.927 -6.402 3.072 1.00 40.04 H new ATOM 0 HG LEU A 15 -1.061 -7.124 3.740 1.00 43.00 H new ATOM 0 HD11 LEU A 15 -0.861 -4.670 4.304 1.00 2.13 H new ATOM 0 HD12 LEU A 15 -1.273 -4.918 2.590 1.00 2.13 H new ATOM 0 HD13 LEU A 15 -2.534 -4.428 3.747 1.00 2.13 H new ATOM 0 HD21 LEU A 15 -1.539 -6.265 6.012 1.00 44.31 H new ATOM 0 HD22 LEU A 15 -3.247 -6.049 5.561 1.00 44.31 H new ATOM 0 HD23 LEU A 15 -2.538 -7.681 5.606 1.00 44.31 H new ATOM 254 N GLU A 16 -5.131 -8.517 4.760 1.00 44.43 N ATOM 255 CA GLU A 16 -6.439 -8.639 5.379 1.00 61.32 C ATOM 256 C GLU A 16 -6.521 -7.395 6.254 1.00 64.33 C ATOM 257 O GLU A 16 -5.719 -7.241 7.182 1.00 22.43 O ATOM 258 CB GLU A 16 -6.496 -9.944 6.187 1.00 22.33 C ATOM 259 CG GLU A 16 -6.674 -11.198 5.314 1.00 61.42 C ATOM 260 CD GLU A 16 -6.041 -12.434 5.956 1.00 71.03 C ATOM 261 OE1 GLU A 16 -6.633 -13.025 6.897 1.00 0.32 O ATOM 262 OE2 GLU A 16 -4.902 -12.784 5.579 1.00 43.10 O ATOM 0 H GLU A 16 -4.406 -8.286 5.440 1.00 44.43 H new ATOM 0 HA GLU A 16 -7.276 -8.692 4.682 1.00 61.32 H new ATOM 0 HB2 GLU A 16 -5.579 -10.043 6.768 1.00 22.33 H new ATOM 0 HB3 GLU A 16 -7.320 -9.886 6.898 1.00 22.33 H new ATOM 0 HG2 GLU A 16 -7.736 -11.378 5.149 1.00 61.42 H new ATOM 0 HG3 GLU A 16 -6.225 -11.026 4.336 1.00 61.42 H new ATOM 269 N VAL A 17 -7.430 -6.483 5.917 1.00 60.43 N ATOM 270 CA VAL A 17 -7.629 -5.221 6.615 1.00 23.34 C ATOM 271 C VAL A 17 -9.109 -4.963 6.865 1.00 14.10 C ATOM 272 O VAL A 17 -9.979 -5.658 6.324 1.00 54.32 O ATOM 273 CB VAL A 17 -6.989 -4.081 5.795 1.00 52.53 C ATOM 274 CG1 VAL A 17 -5.468 -4.267 5.694 1.00 4.43 C ATOM 275 CG2 VAL A 17 -7.590 -3.987 4.379 1.00 40.05 C ATOM 0 H VAL A 17 -8.065 -6.608 5.128 1.00 60.43 H new ATOM 0 HA VAL A 17 -7.145 -5.269 7.590 1.00 23.34 H new ATOM 0 HB VAL A 17 -7.205 -3.152 6.322 1.00 52.53 H new ATOM 0 HG11 VAL A 17 -5.040 -3.451 5.112 1.00 4.43 H new ATOM 0 HG12 VAL A 17 -5.034 -4.266 6.694 1.00 4.43 H new ATOM 0 HG13 VAL A 17 -5.249 -5.216 5.205 1.00 4.43 H new ATOM 0 HG21 VAL A 17 -7.113 -3.172 3.834 1.00 40.05 H new ATOM 0 HG22 VAL A 17 -7.422 -4.925 3.849 1.00 40.05 H new ATOM 0 HG23 VAL A 17 -8.661 -3.797 4.450 1.00 40.05 H new ATOM 285 N GLU A 18 -9.388 -3.980 7.712 1.00 53.21 N ATOM 286 CA GLU A 18 -10.739 -3.579 8.060 1.00 51.43 C ATOM 287 C GLU A 18 -11.240 -2.595 7.001 1.00 1.24 C ATOM 288 O GLU A 18 -10.435 -1.851 6.436 1.00 32.13 O ATOM 289 CB GLU A 18 -10.713 -2.913 9.439 1.00 54.13 C ATOM 290 CG GLU A 18 -10.325 -3.886 10.558 1.00 4.23 C ATOM 291 CD GLU A 18 -11.442 -4.874 10.884 1.00 34.25 C ATOM 292 OE1 GLU A 18 -11.773 -5.755 10.055 1.00 33.33 O ATOM 293 OE2 GLU A 18 -11.971 -4.781 12.016 1.00 64.10 O ATOM 0 H GLU A 18 -8.668 -3.432 8.182 1.00 53.21 H new ATOM 0 HA GLU A 18 -11.406 -4.441 8.094 1.00 51.43 H new ATOM 0 HB2 GLU A 18 -10.007 -2.083 9.424 1.00 54.13 H new ATOM 0 HB3 GLU A 18 -11.695 -2.492 9.653 1.00 54.13 H new ATOM 0 HG2 GLU A 18 -9.431 -4.436 10.263 1.00 4.23 H new ATOM 0 HG3 GLU A 18 -10.070 -3.321 11.455 1.00 4.23 H new ATOM 300 N PRO A 19 -12.557 -2.502 6.755 1.00 72.24 N ATOM 301 CA PRO A 19 -13.093 -1.594 5.751 1.00 74.21 C ATOM 302 C PRO A 19 -12.908 -0.118 6.097 1.00 14.15 C ATOM 303 O PRO A 19 -12.992 0.721 5.196 1.00 53.44 O ATOM 304 CB PRO A 19 -14.583 -1.935 5.659 1.00 11.31 C ATOM 305 CG PRO A 19 -14.914 -2.544 7.018 1.00 52.14 C ATOM 306 CD PRO A 19 -13.627 -3.291 7.345 1.00 33.44 C ATOM 0 HA PRO A 19 -12.561 -1.726 4.809 1.00 74.21 H new ATOM 0 HB2 PRO A 19 -15.183 -1.046 5.464 1.00 11.31 H new ATOM 0 HB3 PRO A 19 -14.781 -2.637 4.849 1.00 11.31 H new ATOM 0 HG2 PRO A 19 -15.145 -1.782 7.762 1.00 52.14 H new ATOM 0 HG3 PRO A 19 -15.774 -3.212 6.968 1.00 52.14 H new ATOM 0 HD2 PRO A 19 -13.494 -3.389 8.422 1.00 33.44 H new ATOM 0 HD3 PRO A 19 -13.644 -4.300 6.933 1.00 33.44 H new ATOM 314 N SER A 20 -12.603 0.195 7.355 1.00 12.12 N ATOM 315 CA SER A 20 -12.429 1.544 7.867 1.00 5.34 C ATOM 316 C SER A 20 -10.960 1.940 8.098 1.00 14.20 C ATOM 317 O SER A 20 -10.709 3.044 8.582 1.00 5.05 O ATOM 318 CB SER A 20 -13.319 1.702 9.096 1.00 65.20 C ATOM 319 OG SER A 20 -14.628 1.293 8.731 1.00 74.41 O ATOM 0 H SER A 20 -12.466 -0.518 8.072 1.00 12.12 H new ATOM 0 HA SER A 20 -12.746 2.258 7.107 1.00 5.34 H new ATOM 0 HB2 SER A 20 -12.944 1.096 9.921 1.00 65.20 H new ATOM 0 HB3 SER A 20 -13.322 2.737 9.437 1.00 65.20 H new ATOM 0 HG SER A 20 -15.225 1.381 9.503 1.00 74.41 H new ATOM 325 N ASP A 21 -9.997 1.103 7.693 1.00 12.44 N ATOM 326 CA ASP A 21 -8.572 1.398 7.862 1.00 21.32 C ATOM 327 C ASP A 21 -8.105 2.519 6.922 1.00 14.32 C ATOM 328 O ASP A 21 -8.743 2.811 5.901 1.00 23.14 O ATOM 329 CB ASP A 21 -7.726 0.134 7.601 1.00 23.14 C ATOM 330 CG ASP A 21 -7.388 -0.687 8.849 1.00 72.02 C ATOM 331 OD1 ASP A 21 -7.697 -0.263 9.983 1.00 12.33 O ATOM 332 OD2 ASP A 21 -6.713 -1.729 8.690 1.00 70.25 O ATOM 0 H ASP A 21 -10.184 0.208 7.242 1.00 12.44 H new ATOM 0 HA ASP A 21 -8.434 1.731 8.891 1.00 21.32 H new ATOM 0 HB2 ASP A 21 -8.261 -0.505 6.898 1.00 23.14 H new ATOM 0 HB3 ASP A 21 -6.796 0.431 7.117 1.00 23.14 H new ATOM 337 N THR A 22 -6.960 3.122 7.245 1.00 3.12 N ATOM 338 CA THR A 22 -6.321 4.202 6.497 1.00 13.44 C ATOM 339 C THR A 22 -5.266 3.591 5.570 1.00 52.13 C ATOM 340 O THR A 22 -4.620 2.615 5.957 1.00 42.24 O ATOM 341 CB THR A 22 -5.609 5.144 7.497 1.00 50.30 C ATOM 342 OG1 THR A 22 -6.374 5.336 8.676 1.00 4.21 O ATOM 343 CG2 THR A 22 -5.280 6.509 6.883 1.00 2.44 C ATOM 0 H THR A 22 -6.429 2.857 8.075 1.00 3.12 H new ATOM 0 HA THR A 22 -7.063 4.754 5.920 1.00 13.44 H new ATOM 0 HB THR A 22 -4.674 4.647 7.754 1.00 50.30 H new ATOM 0 HG1 THR A 22 -5.893 5.935 9.285 1.00 4.21 H new ATOM 0 HG21 THR A 22 -4.782 7.132 7.626 1.00 2.44 H new ATOM 0 HG22 THR A 22 -4.623 6.373 6.024 1.00 2.44 H new ATOM 0 HG23 THR A 22 -6.201 6.995 6.562 1.00 2.44 H new ATOM 351 N ILE A 23 -5.008 4.168 4.388 1.00 34.14 N ATOM 352 CA ILE A 23 -3.978 3.612 3.505 1.00 72.31 C ATOM 353 C ILE A 23 -2.601 3.831 4.157 1.00 1.24 C ATOM 354 O ILE A 23 -1.695 3.022 3.977 1.00 53.14 O ATOM 355 CB ILE A 23 -4.084 4.121 2.051 1.00 64.25 C ATOM 356 CG1 ILE A 23 -5.360 3.613 1.336 1.00 74.43 C ATOM 357 CG2 ILE A 23 -2.869 3.652 1.230 1.00 71.44 C ATOM 358 CD1 ILE A 23 -6.603 4.477 1.552 1.00 24.12 C ATOM 0 H ILE A 23 -5.484 4.996 4.030 1.00 34.14 H new ATOM 0 HA ILE A 23 -4.134 2.538 3.399 1.00 72.31 H new ATOM 0 HB ILE A 23 -4.122 5.209 2.111 1.00 64.25 H new ATOM 0 HG12 ILE A 23 -5.160 3.550 0.266 1.00 74.43 H new ATOM 0 HG13 ILE A 23 -5.574 2.601 1.680 1.00 74.43 H new ATOM 0 HG21 ILE A 23 -2.958 4.018 0.207 1.00 71.44 H new ATOM 0 HG22 ILE A 23 -1.955 4.042 1.677 1.00 71.44 H new ATOM 0 HG23 ILE A 23 -2.833 2.563 1.223 1.00 71.44 H new ATOM 0 HD11 ILE A 23 -7.446 4.043 1.014 1.00 24.12 H new ATOM 0 HD12 ILE A 23 -6.836 4.520 2.616 1.00 24.12 H new ATOM 0 HD13 ILE A 23 -6.415 5.484 1.180 1.00 24.12 H new ATOM 370 N GLU A 24 -2.420 4.883 4.959 1.00 3.23 N ATOM 371 CA GLU A 24 -1.146 5.142 5.628 1.00 72.22 C ATOM 372 C GLU A 24 -0.758 3.954 6.530 1.00 33.35 C ATOM 373 O GLU A 24 0.429 3.704 6.737 1.00 40.13 O ATOM 374 CB GLU A 24 -1.193 6.478 6.386 1.00 51.30 C ATOM 375 CG GLU A 24 -1.441 7.688 5.465 1.00 4.25 C ATOM 376 CD GLU A 24 -0.404 7.788 4.344 1.00 1.33 C ATOM 377 OE1 GLU A 24 0.746 8.203 4.619 1.00 12.31 O ATOM 378 OE2 GLU A 24 -0.727 7.389 3.204 1.00 44.31 O ATOM 0 H GLU A 24 -3.145 5.572 5.161 1.00 3.23 H new ATOM 0 HA GLU A 24 -0.361 5.237 4.878 1.00 72.22 H new ATOM 0 HB2 GLU A 24 -1.981 6.434 7.138 1.00 51.30 H new ATOM 0 HB3 GLU A 24 -0.252 6.620 6.917 1.00 51.30 H new ATOM 0 HG2 GLU A 24 -2.437 7.612 5.029 1.00 4.25 H new ATOM 0 HG3 GLU A 24 -1.421 8.603 6.058 1.00 4.25 H new ATOM 385 N ASN A 25 -1.732 3.209 7.080 1.00 62.35 N ATOM 386 CA ASN A 25 -1.443 2.043 7.920 1.00 73.32 C ATOM 387 C ASN A 25 -0.727 0.979 7.090 1.00 23.23 C ATOM 388 O ASN A 25 0.185 0.322 7.585 1.00 44.03 O ATOM 389 CB ASN A 25 -2.722 1.428 8.502 1.00 10.05 C ATOM 390 CG ASN A 25 -2.422 0.071 9.136 1.00 12.31 C ATOM 391 OD1 ASN A 25 -2.572 -0.969 8.508 1.00 33.52 O ATOM 392 ND2 ASN A 25 -1.952 0.045 10.366 1.00 65.22 N ATOM 0 H ASN A 25 -2.727 3.397 6.955 1.00 62.35 H new ATOM 0 HA ASN A 25 -0.814 2.381 8.744 1.00 73.32 H new ATOM 0 HB2 ASN A 25 -3.148 2.099 9.248 1.00 10.05 H new ATOM 0 HB3 ASN A 25 -3.467 1.312 7.715 1.00 10.05 H new ATOM 0 HD21 ASN A 25 -1.710 -0.845 10.801 1.00 65.22 H new ATOM 0 HD22 ASN A 25 -1.829 0.915 10.884 1.00 65.22 H new ATOM 399 N VAL A 26 -1.101 0.814 5.825 1.00 14.43 N ATOM 400 CA VAL A 26 -0.533 -0.143 4.884 1.00 25.03 C ATOM 401 C VAL A 26 0.985 0.087 4.796 1.00 35.22 C ATOM 402 O VAL A 26 1.742 -0.874 4.644 1.00 13.02 O ATOM 403 CB VAL A 26 -1.297 -0.048 3.543 1.00 74.42 C ATOM 404 CG1 VAL A 26 -0.931 -1.104 2.496 1.00 21.35 C ATOM 405 CG2 VAL A 26 -2.806 -0.177 3.811 1.00 10.55 C ATOM 0 H VAL A 26 -1.846 1.373 5.408 1.00 14.43 H new ATOM 0 HA VAL A 26 -0.656 -1.174 5.215 1.00 25.03 H new ATOM 0 HB VAL A 26 -1.010 0.918 3.129 1.00 74.42 H new ATOM 0 HG11 VAL A 26 -1.525 -0.945 1.596 1.00 21.35 H new ATOM 0 HG12 VAL A 26 0.128 -1.022 2.251 1.00 21.35 H new ATOM 0 HG13 VAL A 26 -1.135 -2.098 2.895 1.00 21.35 H new ATOM 0 HG21 VAL A 26 -3.350 -0.111 2.869 1.00 10.55 H new ATOM 0 HG22 VAL A 26 -3.011 -1.139 4.281 1.00 10.55 H new ATOM 0 HG23 VAL A 26 -3.128 0.627 4.473 1.00 10.55 H new ATOM 415 N LYS A 27 1.436 1.352 4.824 1.00 55.01 N ATOM 416 CA LYS A 27 2.857 1.711 4.786 1.00 54.21 C ATOM 417 C LYS A 27 3.528 1.245 6.079 1.00 12.02 C ATOM 418 O LYS A 27 4.543 0.554 6.035 1.00 31.13 O ATOM 419 CB LYS A 27 3.027 3.227 4.596 1.00 54.25 C ATOM 420 CG LYS A 27 4.198 3.591 3.658 1.00 71.12 C ATOM 421 CD LYS A 27 3.965 3.346 2.154 1.00 35.23 C ATOM 422 CE LYS A 27 3.133 4.406 1.409 1.00 64.41 C ATOM 423 NZ LYS A 27 1.753 4.536 1.918 1.00 21.13 N ATOM 0 H LYS A 27 0.815 2.160 4.874 1.00 55.01 H new ATOM 0 HA LYS A 27 3.333 1.216 3.939 1.00 54.21 H new ATOM 0 HB2 LYS A 27 2.103 3.643 4.193 1.00 54.25 H new ATOM 0 HB3 LYS A 27 3.189 3.693 5.568 1.00 54.25 H new ATOM 0 HG2 LYS A 27 4.437 4.645 3.801 1.00 71.12 H new ATOM 0 HG3 LYS A 27 5.074 3.021 3.967 1.00 71.12 H new ATOM 0 HD2 LYS A 27 4.937 3.269 1.666 1.00 35.23 H new ATOM 0 HD3 LYS A 27 3.472 2.381 2.037 1.00 35.23 H new ATOM 0 HE2 LYS A 27 3.634 5.371 1.488 1.00 64.41 H new ATOM 0 HE3 LYS A 27 3.099 4.151 0.350 1.00 64.41 H new ATOM 0 HZ1 LYS A 27 1.150 4.958 1.183 1.00 21.13 H new ATOM 0 HZ2 LYS A 27 1.386 3.596 2.169 1.00 21.13 H new ATOM 0 HZ3 LYS A 27 1.750 5.145 2.761 1.00 21.13 H new ATOM 437 N ALA A 28 2.923 1.571 7.223 1.00 2.14 N ATOM 438 CA ALA A 28 3.425 1.192 8.535 1.00 51.02 C ATOM 439 C ALA A 28 3.504 -0.333 8.661 1.00 62.21 C ATOM 440 O ALA A 28 4.448 -0.875 9.236 1.00 24.53 O ATOM 441 CB ALA A 28 2.538 1.800 9.625 1.00 61.42 C ATOM 0 H ALA A 28 2.060 2.113 7.259 1.00 2.14 H new ATOM 0 HA ALA A 28 4.435 1.583 8.660 1.00 51.02 H new ATOM 0 HB1 ALA A 28 2.918 1.513 10.605 1.00 61.42 H new ATOM 0 HB2 ALA A 28 2.546 2.886 9.536 1.00 61.42 H new ATOM 0 HB3 ALA A 28 1.518 1.434 9.510 1.00 61.42 H new ATOM 447 N LYS A 29 2.525 -1.051 8.109 1.00 64.32 N ATOM 448 CA LYS A 29 2.483 -2.502 8.165 1.00 11.31 C ATOM 449 C LYS A 29 3.661 -3.096 7.385 1.00 12.12 C ATOM 450 O LYS A 29 4.409 -3.900 7.945 1.00 2.20 O ATOM 451 CB LYS A 29 1.126 -2.934 7.566 1.00 43.45 C ATOM 452 CG LYS A 29 0.775 -4.422 7.718 1.00 51.24 C ATOM 453 CD LYS A 29 -0.217 -4.735 8.848 1.00 53.31 C ATOM 454 CE LYS A 29 0.377 -4.562 10.249 1.00 11.22 C ATOM 455 NZ LYS A 29 0.259 -3.180 10.759 1.00 54.12 N ATOM 0 H LYS A 29 1.739 -0.635 7.610 1.00 64.32 H new ATOM 0 HA LYS A 29 2.571 -2.865 9.189 1.00 11.31 H new ATOM 0 HB2 LYS A 29 0.338 -2.344 8.035 1.00 43.45 H new ATOM 0 HB3 LYS A 29 1.122 -2.685 6.505 1.00 43.45 H new ATOM 0 HG2 LYS A 29 0.358 -4.781 6.777 1.00 51.24 H new ATOM 0 HG3 LYS A 29 1.694 -4.982 7.894 1.00 51.24 H new ATOM 0 HD2 LYS A 29 -1.086 -4.085 8.748 1.00 53.31 H new ATOM 0 HD3 LYS A 29 -0.571 -5.760 8.736 1.00 53.31 H new ATOM 0 HE2 LYS A 29 -0.125 -5.242 10.937 1.00 11.22 H new ATOM 0 HE3 LYS A 29 1.429 -4.848 10.230 1.00 11.22 H new ATOM 0 HZ1 LYS A 29 1.207 -2.763 10.855 1.00 54.12 H new ATOM 0 HZ2 LYS A 29 -0.303 -2.611 10.094 1.00 54.12 H new ATOM 0 HZ3 LYS A 29 -0.210 -3.191 11.687 1.00 54.12 H new ATOM 469 N ILE A 30 3.870 -2.659 6.137 1.00 2.04 N ATOM 470 CA ILE A 30 4.945 -3.141 5.276 1.00 3.25 C ATOM 471 C ILE A 30 6.362 -2.669 5.622 1.00 23.13 C ATOM 472 O ILE A 30 7.299 -3.421 5.346 1.00 33.03 O ATOM 473 CB ILE A 30 4.592 -2.940 3.790 1.00 11.31 C ATOM 474 CG1 ILE A 30 5.466 -3.858 2.913 1.00 72.05 C ATOM 475 CG2 ILE A 30 4.726 -1.472 3.367 1.00 74.12 C ATOM 476 CD1 ILE A 30 5.141 -3.790 1.424 1.00 51.10 C ATOM 0 H ILE A 30 3.285 -1.950 5.695 1.00 2.04 H new ATOM 0 HA ILE A 30 5.003 -4.210 5.483 1.00 3.25 H new ATOM 0 HB ILE A 30 3.546 -3.214 3.648 1.00 11.31 H new ATOM 0 HG12 ILE A 30 6.513 -3.592 3.058 1.00 72.05 H new ATOM 0 HG13 ILE A 30 5.349 -4.887 3.253 1.00 72.05 H new ATOM 0 HG21 ILE A 30 4.468 -1.372 2.313 1.00 74.12 H new ATOM 0 HG22 ILE A 30 4.052 -0.858 3.965 1.00 74.12 H new ATOM 0 HG23 ILE A 30 5.753 -1.141 3.523 1.00 74.12 H new ATOM 0 HD11 ILE A 30 5.799 -4.465 0.877 1.00 51.10 H new ATOM 0 HD12 ILE A 30 4.104 -4.086 1.264 1.00 51.10 H new ATOM 0 HD13 ILE A 30 5.287 -2.771 1.066 1.00 51.10 H new ATOM 488 N GLN A 31 6.571 -1.495 6.238 1.00 3.31 N ATOM 489 CA GLN A 31 7.941 -1.041 6.527 1.00 61.23 C ATOM 490 C GLN A 31 8.694 -2.050 7.395 1.00 4.13 C ATOM 491 O GLN A 31 9.899 -2.245 7.219 1.00 13.22 O ATOM 492 CB GLN A 31 7.980 0.388 7.107 1.00 12.24 C ATOM 493 CG GLN A 31 7.507 0.542 8.561 1.00 50.31 C ATOM 494 CD GLN A 31 7.600 1.988 9.040 1.00 22.04 C ATOM 495 OE1 GLN A 31 6.594 2.676 9.215 1.00 55.35 O ATOM 496 NE2 GLN A 31 8.804 2.496 9.228 1.00 1.13 N ATOM 0 H GLN A 31 5.833 -0.858 6.538 1.00 3.31 H new ATOM 0 HA GLN A 31 8.468 -0.987 5.574 1.00 61.23 H new ATOM 0 HB2 GLN A 31 9.003 0.758 7.038 1.00 12.24 H new ATOM 0 HB3 GLN A 31 7.365 1.031 6.477 1.00 12.24 H new ATOM 0 HG2 GLN A 31 6.476 0.197 8.646 1.00 50.31 H new ATOM 0 HG3 GLN A 31 8.110 -0.094 9.208 1.00 50.31 H new ATOM 0 HE21 GLN A 31 9.631 1.917 9.080 1.00 1.13 H new ATOM 0 HE22 GLN A 31 8.908 3.467 9.521 1.00 1.13 H new ATOM 505 N ASP A 32 7.972 -2.741 8.277 1.00 41.44 N ATOM 506 CA ASP A 32 8.541 -3.744 9.159 1.00 24.31 C ATOM 507 C ASP A 32 8.896 -5.029 8.400 1.00 12.31 C ATOM 508 O ASP A 32 9.671 -5.838 8.907 1.00 11.22 O ATOM 509 CB ASP A 32 7.529 -4.173 10.223 1.00 52.53 C ATOM 510 CG ASP A 32 7.106 -3.140 11.260 1.00 32.45 C ATOM 511 OD1 ASP A 32 7.696 -2.046 11.368 1.00 75.33 O ATOM 512 OD2 ASP A 32 6.147 -3.464 11.999 1.00 20.01 O ATOM 0 H ASP A 32 6.967 -2.615 8.396 1.00 41.44 H new ATOM 0 HA ASP A 32 9.427 -3.284 9.597 1.00 24.31 H new ATOM 0 HB2 ASP A 32 6.632 -4.520 9.711 1.00 52.53 H new ATOM 0 HB3 ASP A 32 7.944 -5.030 10.754 1.00 52.53 H new ATOM 517 N LYS A 33 8.253 -5.290 7.260 1.00 71.23 N ATOM 518 CA LYS A 33 8.455 -6.480 6.435 1.00 61.42 C ATOM 519 C LYS A 33 9.497 -6.298 5.337 1.00 14.31 C ATOM 520 O LYS A 33 10.287 -7.205 5.102 1.00 40.03 O ATOM 521 CB LYS A 33 7.103 -6.942 5.864 1.00 31.02 C ATOM 522 CG LYS A 33 6.117 -7.358 6.973 1.00 52.21 C ATOM 523 CD LYS A 33 4.703 -7.596 6.433 1.00 71.32 C ATOM 524 CE LYS A 33 3.732 -7.857 7.592 1.00 34.51 C ATOM 525 NZ LYS A 33 3.549 -9.296 7.877 1.00 4.33 N ATOM 0 H LYS A 33 7.554 -4.656 6.874 1.00 71.23 H new ATOM 0 HA LYS A 33 8.864 -7.257 7.081 1.00 61.42 H new ATOM 0 HB2 LYS A 33 6.665 -6.137 5.274 1.00 31.02 H new ATOM 0 HB3 LYS A 33 7.263 -7.782 5.188 1.00 31.02 H new ATOM 0 HG2 LYS A 33 6.478 -8.267 7.455 1.00 52.21 H new ATOM 0 HG3 LYS A 33 6.086 -6.582 7.738 1.00 52.21 H new ATOM 0 HD2 LYS A 33 4.373 -6.729 5.861 1.00 71.32 H new ATOM 0 HD3 LYS A 33 4.704 -8.446 5.751 1.00 71.32 H new ATOM 0 HE2 LYS A 33 4.102 -7.359 8.488 1.00 34.51 H new ATOM 0 HE3 LYS A 33 2.765 -7.413 7.356 1.00 34.51 H new ATOM 0 HZ1 LYS A 33 2.884 -9.411 8.668 1.00 4.33 H new ATOM 0 HZ2 LYS A 33 3.170 -9.771 7.033 1.00 4.33 H new ATOM 0 HZ3 LYS A 33 4.465 -9.719 8.130 1.00 4.33 H new ATOM 539 N GLU A 34 9.503 -5.156 4.644 1.00 62.23 N ATOM 540 CA GLU A 34 10.443 -4.882 3.550 1.00 61.13 C ATOM 541 C GLU A 34 11.729 -4.202 4.046 1.00 24.54 C ATOM 542 O GLU A 34 12.585 -3.847 3.240 1.00 55.53 O ATOM 543 CB GLU A 34 9.752 -4.096 2.423 1.00 12.45 C ATOM 544 CG GLU A 34 8.623 -4.874 1.713 1.00 34.52 C ATOM 545 CD GLU A 34 9.042 -6.088 0.867 1.00 72.41 C ATOM 546 OE1 GLU A 34 10.242 -6.295 0.594 1.00 60.11 O ATOM 547 OE2 GLU A 34 8.134 -6.833 0.424 1.00 21.42 O ATOM 0 H GLU A 34 8.853 -4.391 4.826 1.00 62.23 H new ATOM 0 HA GLU A 34 10.758 -5.838 3.132 1.00 61.13 H new ATOM 0 HB2 GLU A 34 9.340 -3.175 2.836 1.00 12.45 H new ATOM 0 HB3 GLU A 34 10.500 -3.807 1.684 1.00 12.45 H new ATOM 0 HG2 GLU A 34 7.917 -5.215 2.471 1.00 34.52 H new ATOM 0 HG3 GLU A 34 8.086 -4.179 1.067 1.00 34.52 H new ATOM 554 N GLY A 35 11.848 -3.941 5.349 1.00 41.22 N ATOM 555 CA GLY A 35 13.032 -3.339 5.947 1.00 52.01 C ATOM 556 C GLY A 35 13.418 -1.930 5.504 1.00 75.42 C ATOM 557 O GLY A 35 14.563 -1.547 5.747 1.00 35.32 O ATOM 0 H GLY A 35 11.112 -4.146 6.025 1.00 41.22 H new ATOM 0 HA2 GLY A 35 12.889 -3.323 7.027 1.00 52.01 H new ATOM 0 HA3 GLY A 35 13.878 -3.996 5.747 1.00 52.01 H new ATOM 561 N ILE A 36 12.530 -1.157 4.865 1.00 44.40 N ATOM 562 CA ILE A 36 12.859 0.204 4.426 1.00 44.20 C ATOM 563 C ILE A 36 11.860 1.234 4.972 1.00 61.40 C ATOM 564 O ILE A 36 10.665 0.933 5.079 1.00 50.03 O ATOM 565 CB ILE A 36 13.014 0.297 2.891 1.00 4.21 C ATOM 566 CG1 ILE A 36 11.732 -0.090 2.124 1.00 63.32 C ATOM 567 CG2 ILE A 36 14.221 -0.530 2.417 1.00 12.12 C ATOM 568 CD1 ILE A 36 11.715 0.509 0.718 1.00 40.15 C ATOM 0 H ILE A 36 11.579 -1.451 4.641 1.00 44.40 H new ATOM 0 HA ILE A 36 13.832 0.451 4.851 1.00 44.20 H new ATOM 0 HB ILE A 36 13.195 1.346 2.659 1.00 4.21 H new ATOM 0 HG12 ILE A 36 11.660 -1.176 2.058 1.00 63.32 H new ATOM 0 HG13 ILE A 36 10.858 0.254 2.677 1.00 63.32 H new ATOM 0 HG21 ILE A 36 14.313 -0.452 1.334 1.00 12.12 H new ATOM 0 HG22 ILE A 36 15.129 -0.151 2.887 1.00 12.12 H new ATOM 0 HG23 ILE A 36 14.078 -1.574 2.694 1.00 12.12 H new ATOM 0 HD11 ILE A 36 10.797 0.215 0.208 1.00 40.15 H new ATOM 0 HD12 ILE A 36 11.761 1.596 0.785 1.00 40.15 H new ATOM 0 HD13 ILE A 36 12.575 0.144 0.157 1.00 40.15 H new ATOM 580 N PRO A 37 12.304 2.469 5.268 1.00 72.25 N ATOM 581 CA PRO A 37 11.441 3.523 5.785 1.00 42.40 C ATOM 582 C PRO A 37 10.389 3.959 4.751 1.00 44.23 C ATOM 583 O PRO A 37 10.614 3.859 3.539 1.00 21.33 O ATOM 584 CB PRO A 37 12.376 4.674 6.168 1.00 53.20 C ATOM 585 CG PRO A 37 13.586 4.462 5.269 1.00 64.04 C ATOM 586 CD PRO A 37 13.680 2.944 5.183 1.00 55.43 C ATOM 0 HA PRO A 37 10.867 3.178 6.645 1.00 42.40 H new ATOM 0 HB2 PRO A 37 11.911 5.644 5.993 1.00 53.20 H new ATOM 0 HB3 PRO A 37 12.648 4.636 7.223 1.00 53.20 H new ATOM 0 HG2 PRO A 37 13.445 4.915 4.288 1.00 64.04 H new ATOM 0 HG3 PRO A 37 14.489 4.900 5.695 1.00 64.04 H new ATOM 0 HD2 PRO A 37 14.147 2.631 4.249 1.00 55.43 H new ATOM 0 HD3 PRO A 37 14.286 2.541 5.994 1.00 55.43 H new ATOM 594 N PRO A 38 9.232 4.487 5.190 1.00 30.42 N ATOM 595 CA PRO A 38 8.160 4.927 4.300 1.00 1.03 C ATOM 596 C PRO A 38 8.573 6.093 3.393 1.00 35.45 C ATOM 597 O PRO A 38 7.959 6.290 2.344 1.00 34.35 O ATOM 598 CB PRO A 38 6.999 5.311 5.224 1.00 52.23 C ATOM 599 CG PRO A 38 7.688 5.681 6.533 1.00 65.31 C ATOM 600 CD PRO A 38 8.836 4.676 6.576 1.00 12.23 C ATOM 0 HA PRO A 38 7.885 4.133 3.606 1.00 1.03 H new ATOM 0 HB2 PRO A 38 6.427 6.147 4.822 1.00 52.23 H new ATOM 0 HB3 PRO A 38 6.303 4.483 5.358 1.00 52.23 H new ATOM 0 HG2 PRO A 38 8.046 6.711 6.530 1.00 65.31 H new ATOM 0 HG3 PRO A 38 7.022 5.578 7.389 1.00 65.31 H new ATOM 0 HD2 PRO A 38 9.666 5.052 7.174 1.00 12.23 H new ATOM 0 HD3 PRO A 38 8.519 3.735 7.026 1.00 12.23 H new ATOM 608 N ASP A 39 9.634 6.824 3.746 1.00 32.11 N ATOM 609 CA ASP A 39 10.147 7.966 2.988 1.00 1.15 C ATOM 610 C ASP A 39 10.657 7.567 1.603 1.00 55.24 C ATOM 611 O ASP A 39 10.731 8.422 0.716 1.00 25.21 O ATOM 612 CB ASP A 39 11.321 8.618 3.732 1.00 64.13 C ATOM 613 CG ASP A 39 10.946 9.443 4.954 1.00 5.02 C ATOM 614 OD1 ASP A 39 9.757 9.550 5.329 1.00 12.11 O ATOM 615 OD2 ASP A 39 11.891 9.985 5.575 1.00 15.02 O ATOM 0 H ASP A 39 10.174 6.632 4.590 1.00 32.11 H new ATOM 0 HA ASP A 39 9.310 8.656 2.880 1.00 1.15 H new ATOM 0 HB2 ASP A 39 12.012 7.834 4.043 1.00 64.13 H new ATOM 0 HB3 ASP A 39 11.860 9.259 3.034 1.00 64.13 H new ATOM 620 N GLN A 40 11.067 6.308 1.417 1.00 52.13 N ATOM 621 CA GLN A 40 11.571 5.777 0.149 1.00 63.10 C ATOM 622 C GLN A 40 10.513 4.926 -0.567 1.00 0.23 C ATOM 623 O GLN A 40 10.755 4.444 -1.675 1.00 24.53 O ATOM 624 CB GLN A 40 12.870 4.988 0.397 1.00 52.12 C ATOM 625 CG GLN A 40 14.123 5.877 0.440 1.00 31.14 C ATOM 626 CD GLN A 40 14.095 6.927 1.550 1.00 24.33 C ATOM 627 OE1 GLN A 40 14.230 6.616 2.726 1.00 13.30 O ATOM 628 NE2 GLN A 40 13.954 8.203 1.236 1.00 50.31 N ATOM 0 H GLN A 40 11.057 5.614 2.164 1.00 52.13 H new ATOM 0 HA GLN A 40 11.796 6.611 -0.515 1.00 63.10 H new ATOM 0 HB2 GLN A 40 12.784 4.447 1.340 1.00 52.12 H new ATOM 0 HB3 GLN A 40 12.989 4.242 -0.389 1.00 52.12 H new ATOM 0 HG2 GLN A 40 15.001 5.245 0.572 1.00 31.14 H new ATOM 0 HG3 GLN A 40 14.234 6.380 -0.521 1.00 31.14 H new ATOM 0 HE21 GLN A 40 13.840 8.479 0.261 1.00 50.31 H new ATOM 0 HE22 GLN A 40 13.959 8.912 1.969 1.00 50.31 H new ATOM 637 N GLN A 41 9.344 4.732 0.047 1.00 73.21 N ATOM 638 CA GLN A 41 8.266 3.937 -0.514 1.00 31.22 C ATOM 639 C GLN A 41 7.209 4.830 -1.158 1.00 2.13 C ATOM 640 O GLN A 41 7.016 5.985 -0.762 1.00 53.41 O ATOM 641 CB GLN A 41 7.583 3.146 0.611 1.00 62.31 C ATOM 642 CG GLN A 41 8.465 2.108 1.320 1.00 10.35 C ATOM 643 CD GLN A 41 7.675 1.409 2.428 1.00 12.31 C ATOM 644 OE1 GLN A 41 6.540 0.993 2.211 1.00 25.04 O ATOM 645 NE2 GLN A 41 8.217 1.233 3.619 1.00 14.21 N ATOM 0 H GLN A 41 9.123 5.131 0.960 1.00 73.21 H new ATOM 0 HA GLN A 41 8.692 3.272 -1.265 1.00 31.22 H new ATOM 0 HB2 GLN A 41 7.214 3.852 1.355 1.00 62.31 H new ATOM 0 HB3 GLN A 41 6.714 2.636 0.196 1.00 62.31 H new ATOM 0 HG2 GLN A 41 8.823 1.372 0.600 1.00 10.35 H new ATOM 0 HG3 GLN A 41 9.344 2.595 1.742 1.00 10.35 H new ATOM 0 HE21 GLN A 41 9.159 1.576 3.806 1.00 14.21 H new ATOM 0 HE22 GLN A 41 7.694 0.754 4.352 1.00 14.21 H new ATOM 654 N ARG A 42 6.499 4.297 -2.149 1.00 71.40 N ATOM 655 CA ARG A 42 5.416 4.982 -2.848 1.00 43.23 C ATOM 656 C ARG A 42 4.401 3.911 -3.243 1.00 44.04 C ATOM 657 O ARG A 42 4.784 2.746 -3.384 1.00 11.25 O ATOM 658 CB ARG A 42 5.941 5.807 -4.031 1.00 32.13 C ATOM 659 CG ARG A 42 5.035 7.016 -4.303 1.00 51.03 C ATOM 660 CD ARG A 42 5.402 8.222 -3.438 1.00 53.15 C ATOM 661 NE ARG A 42 6.563 8.908 -4.014 1.00 72.31 N ATOM 662 CZ ARG A 42 7.059 10.073 -3.601 1.00 72.00 C ATOM 663 NH1 ARG A 42 6.683 10.621 -2.456 1.00 53.44 N ATOM 664 NH2 ARG A 42 7.933 10.728 -4.346 1.00 34.53 N ATOM 0 H ARG A 42 6.665 3.353 -2.497 1.00 71.40 H new ATOM 0 HA ARG A 42 4.928 5.718 -2.208 1.00 43.23 H new ATOM 0 HB2 ARG A 42 6.955 6.148 -3.820 1.00 32.13 H new ATOM 0 HB3 ARG A 42 5.994 5.180 -4.921 1.00 32.13 H new ATOM 0 HG2 ARG A 42 5.106 7.291 -5.355 1.00 51.03 H new ATOM 0 HG3 ARG A 42 3.998 6.739 -4.115 1.00 51.03 H new ATOM 0 HD2 ARG A 42 4.557 8.907 -3.375 1.00 53.15 H new ATOM 0 HD3 ARG A 42 5.626 7.898 -2.422 1.00 53.15 H new ATOM 0 HE ARG A 42 7.031 8.454 -4.798 1.00 72.31 H new ATOM 0 HH11 ARG A 42 5.997 10.150 -1.866 1.00 53.44 H new ATOM 0 HH12 ARG A 42 7.079 11.514 -2.164 1.00 53.44 H new ATOM 0 HH21 ARG A 42 8.231 10.341 -5.242 1.00 34.53 H new ATOM 0 HH22 ARG A 42 8.310 11.620 -4.025 1.00 34.53 H new ATOM 678 N LEU A 43 3.133 4.288 -3.409 1.00 34.33 N ATOM 679 CA LEU A 43 2.028 3.391 -3.740 1.00 2.30 C ATOM 680 C LEU A 43 1.254 3.942 -4.937 1.00 60.42 C ATOM 681 O LEU A 43 0.755 5.071 -4.880 1.00 4.14 O ATOM 682 CB LEU A 43 1.172 3.305 -2.460 1.00 41.31 C ATOM 683 CG LEU A 43 0.136 2.173 -2.349 1.00 2.30 C ATOM 684 CD1 LEU A 43 -0.502 2.325 -0.960 1.00 50.52 C ATOM 685 CD2 LEU A 43 -0.928 2.227 -3.447 1.00 63.35 C ATOM 0 H LEU A 43 2.838 5.260 -3.313 1.00 34.33 H new ATOM 0 HA LEU A 43 2.359 2.396 -4.036 1.00 2.30 H new ATOM 0 HB2 LEU A 43 1.851 3.219 -1.612 1.00 41.31 H new ATOM 0 HB3 LEU A 43 0.643 4.252 -2.350 1.00 41.31 H new ATOM 0 HG LEU A 43 0.622 1.206 -2.476 1.00 2.30 H new ATOM 0 HD11 LEU A 43 -1.251 1.547 -0.817 1.00 50.52 H new ATOM 0 HD12 LEU A 43 0.268 2.233 -0.194 1.00 50.52 H new ATOM 0 HD13 LEU A 43 -0.976 3.304 -0.882 1.00 50.52 H new ATOM 0 HD21 LEU A 43 -1.629 1.403 -3.315 1.00 63.35 H new ATOM 0 HD22 LEU A 43 -1.465 3.174 -3.387 1.00 63.35 H new ATOM 0 HD23 LEU A 43 -0.449 2.143 -4.422 1.00 63.35 H new ATOM 697 N ILE A 44 1.117 3.144 -5.998 1.00 10.32 N ATOM 698 CA ILE A 44 0.419 3.505 -7.230 1.00 0.03 C ATOM 699 C ILE A 44 -0.546 2.383 -7.619 1.00 64.33 C ATOM 700 O ILE A 44 -0.187 1.200 -7.582 1.00 1.44 O ATOM 701 CB ILE A 44 1.452 3.857 -8.339 1.00 31.15 C ATOM 702 CG1 ILE A 44 0.764 4.131 -9.696 1.00 32.21 C ATOM 703 CG2 ILE A 44 2.579 2.806 -8.476 1.00 22.44 C ATOM 704 CD1 ILE A 44 1.691 4.652 -10.798 1.00 54.10 C ATOM 0 H ILE A 44 1.501 2.200 -6.022 1.00 10.32 H new ATOM 0 HA ILE A 44 -0.187 4.399 -7.083 1.00 0.03 H new ATOM 0 HB ILE A 44 1.934 4.780 -8.018 1.00 31.15 H new ATOM 0 HG12 ILE A 44 0.296 3.209 -10.042 1.00 32.21 H new ATOM 0 HG13 ILE A 44 -0.035 4.856 -9.541 1.00 32.21 H new ATOM 0 HG21 ILE A 44 3.266 3.110 -9.266 1.00 22.44 H new ATOM 0 HG22 ILE A 44 3.121 2.729 -7.533 1.00 22.44 H new ATOM 0 HG23 ILE A 44 2.145 1.838 -8.725 1.00 22.44 H new ATOM 0 HD11 ILE A 44 1.117 4.814 -11.710 1.00 54.10 H new ATOM 0 HD12 ILE A 44 2.141 5.593 -10.481 1.00 54.10 H new ATOM 0 HD13 ILE A 44 2.476 3.921 -10.989 1.00 54.10 H new ATOM 716 N PHE A 45 -1.761 2.739 -8.033 1.00 51.40 N ATOM 717 CA PHE A 45 -2.804 1.811 -8.460 1.00 52.42 C ATOM 718 C PHE A 45 -3.619 2.466 -9.576 1.00 65.12 C ATOM 719 O PHE A 45 -3.852 3.673 -9.539 1.00 12.23 O ATOM 720 CB PHE A 45 -3.709 1.379 -7.297 1.00 14.23 C ATOM 721 CG PHE A 45 -4.913 0.578 -7.771 1.00 44.35 C ATOM 722 CD1 PHE A 45 -4.733 -0.584 -8.547 1.00 61.41 C ATOM 723 CD2 PHE A 45 -6.216 1.052 -7.535 1.00 23.24 C ATOM 724 CE1 PHE A 45 -5.840 -1.253 -9.095 1.00 32.11 C ATOM 725 CE2 PHE A 45 -7.327 0.376 -8.071 1.00 5.31 C ATOM 726 CZ PHE A 45 -7.138 -0.769 -8.861 1.00 22.22 C ATOM 0 H PHE A 45 -2.055 3.714 -8.082 1.00 51.40 H new ATOM 0 HA PHE A 45 -2.330 0.902 -8.832 1.00 52.42 H new ATOM 0 HB2 PHE A 45 -3.131 0.781 -6.593 1.00 14.23 H new ATOM 0 HB3 PHE A 45 -4.052 2.262 -6.758 1.00 14.23 H new ATOM 0 HD1 PHE A 45 -3.737 -0.963 -8.722 1.00 61.41 H new ATOM 0 HD2 PHE A 45 -6.364 1.940 -6.939 1.00 23.24 H new ATOM 0 HE1 PHE A 45 -5.693 -2.139 -9.696 1.00 32.11 H new ATOM 0 HE2 PHE A 45 -8.325 0.738 -7.875 1.00 5.31 H new ATOM 0 HZ PHE A 45 -7.990 -1.277 -9.288 1.00 22.22 H new ATOM 736 N ALA A 46 -3.996 1.684 -10.591 1.00 33.41 N ATOM 737 CA ALA A 46 -4.781 2.108 -11.743 1.00 70.33 C ATOM 738 C ALA A 46 -4.165 3.307 -12.472 1.00 51.31 C ATOM 739 O ALA A 46 -4.889 4.154 -13.005 1.00 52.44 O ATOM 740 CB ALA A 46 -6.233 2.346 -11.318 1.00 72.12 C ATOM 0 H ALA A 46 -3.749 0.695 -10.630 1.00 33.41 H new ATOM 0 HA ALA A 46 -4.772 1.304 -12.479 1.00 70.33 H new ATOM 0 HB1 ALA A 46 -6.818 2.663 -12.182 1.00 72.12 H new ATOM 0 HB2 ALA A 46 -6.651 1.423 -10.916 1.00 72.12 H new ATOM 0 HB3 ALA A 46 -6.266 3.122 -10.553 1.00 72.12 H new ATOM 746 N GLY A 47 -2.836 3.402 -12.473 1.00 33.31 N ATOM 747 CA GLY A 47 -2.096 4.465 -13.126 1.00 45.14 C ATOM 748 C GLY A 47 -2.035 5.773 -12.346 1.00 14.40 C ATOM 749 O GLY A 47 -1.555 6.754 -12.907 1.00 33.34 O ATOM 0 H GLY A 47 -2.235 2.722 -12.007 1.00 33.31 H new ATOM 0 HA2 GLY A 47 -1.079 4.120 -13.310 1.00 45.14 H new ATOM 0 HA3 GLY A 47 -2.548 4.659 -14.099 1.00 45.14 H new ATOM 753 N LYS A 48 -2.544 5.851 -11.110 1.00 50.33 N ATOM 754 CA LYS A 48 -2.496 7.079 -10.319 1.00 41.55 C ATOM 755 C LYS A 48 -1.871 6.779 -8.971 1.00 65.43 C ATOM 756 O LYS A 48 -2.047 5.687 -8.420 1.00 31.43 O ATOM 757 CB LYS A 48 -3.878 7.717 -10.118 1.00 41.12 C ATOM 758 CG LYS A 48 -4.424 8.478 -11.337 1.00 31.12 C ATOM 759 CD LYS A 48 -5.104 7.610 -12.399 1.00 65.34 C ATOM 760 CE LYS A 48 -6.418 7.033 -11.865 1.00 50.43 C ATOM 761 NZ LYS A 48 -6.999 6.031 -12.776 1.00 30.43 N ATOM 0 H LYS A 48 -2.997 5.069 -10.636 1.00 50.33 H new ATOM 0 HA LYS A 48 -1.894 7.799 -10.873 1.00 41.55 H new ATOM 0 HB2 LYS A 48 -4.587 6.934 -9.849 1.00 41.12 H new ATOM 0 HB3 LYS A 48 -3.825 8.404 -9.273 1.00 41.12 H new ATOM 0 HG2 LYS A 48 -5.139 9.224 -10.989 1.00 31.12 H new ATOM 0 HG3 LYS A 48 -3.602 9.019 -11.805 1.00 31.12 H new ATOM 0 HD2 LYS A 48 -5.298 8.204 -13.292 1.00 65.34 H new ATOM 0 HD3 LYS A 48 -4.438 6.799 -12.694 1.00 65.34 H new ATOM 0 HE2 LYS A 48 -6.243 6.577 -10.891 1.00 50.43 H new ATOM 0 HE3 LYS A 48 -7.133 7.842 -11.714 1.00 50.43 H new ATOM 0 HZ1 LYS A 48 -7.860 5.632 -12.350 1.00 30.43 H new ATOM 0 HZ2 LYS A 48 -7.239 6.483 -13.682 1.00 30.43 H new ATOM 0 HZ3 LYS A 48 -6.309 5.270 -12.941 1.00 30.43 H new ATOM 775 N GLN A 49 -1.105 7.729 -8.453 1.00 31.35 N ATOM 776 CA GLN A 49 -0.469 7.588 -7.164 1.00 21.02 C ATOM 777 C GLN A 49 -1.603 7.738 -6.154 1.00 42.30 C ATOM 778 O GLN A 49 -2.427 8.649 -6.262 1.00 42.03 O ATOM 779 CB GLN A 49 0.637 8.641 -7.009 1.00 30.35 C ATOM 780 CG GLN A 49 1.282 8.548 -5.624 1.00 2.33 C ATOM 781 CD GLN A 49 2.489 9.464 -5.480 1.00 73.35 C ATOM 782 OE1 GLN A 49 3.540 9.198 -6.052 1.00 53.30 O ATOM 783 NE2 GLN A 49 2.390 10.509 -4.680 1.00 14.43 N ATOM 0 H GLN A 49 -0.911 8.615 -8.919 1.00 31.35 H new ATOM 0 HA GLN A 49 0.033 6.631 -7.023 1.00 21.02 H new ATOM 0 HB2 GLN A 49 1.395 8.496 -7.779 1.00 30.35 H new ATOM 0 HB3 GLN A 49 0.220 9.638 -7.156 1.00 30.35 H new ATOM 0 HG2 GLN A 49 0.543 8.804 -4.865 1.00 2.33 H new ATOM 0 HG3 GLN A 49 1.587 7.518 -5.437 1.00 2.33 H new ATOM 0 HE21 GLN A 49 1.506 10.712 -4.214 1.00 14.43 H new ATOM 0 HE22 GLN A 49 3.198 11.113 -4.528 1.00 14.43 H new ATOM 792 N LEU A 50 -1.671 6.832 -5.182 1.00 65.54 N ATOM 793 CA LEU A 50 -2.716 6.870 -4.169 1.00 21.52 C ATOM 794 C LEU A 50 -2.342 8.009 -3.221 1.00 24.52 C ATOM 795 O LEU A 50 -1.253 7.991 -2.634 1.00 20.34 O ATOM 796 CB LEU A 50 -2.825 5.485 -3.510 1.00 42.55 C ATOM 797 CG LEU A 50 -4.181 5.195 -2.840 1.00 73.13 C ATOM 798 CD1 LEU A 50 -4.311 3.686 -2.597 1.00 74.42 C ATOM 799 CD2 LEU A 50 -4.351 5.945 -1.519 1.00 62.35 C ATOM 0 H LEU A 50 -1.011 6.061 -5.077 1.00 65.54 H new ATOM 0 HA LEU A 50 -3.712 7.073 -4.563 1.00 21.52 H new ATOM 0 HB2 LEU A 50 -2.639 4.722 -4.266 1.00 42.55 H new ATOM 0 HB3 LEU A 50 -2.038 5.391 -2.762 1.00 42.55 H new ATOM 0 HG LEU A 50 -4.965 5.544 -3.513 1.00 73.13 H new ATOM 0 HD11 LEU A 50 -5.269 3.475 -2.123 1.00 74.42 H new ATOM 0 HD12 LEU A 50 -4.253 3.158 -3.549 1.00 74.42 H new ATOM 0 HD13 LEU A 50 -3.503 3.351 -1.947 1.00 74.42 H new ATOM 0 HD21 LEU A 50 -5.323 5.706 -1.087 1.00 62.35 H new ATOM 0 HD22 LEU A 50 -3.564 5.646 -0.827 1.00 62.35 H new ATOM 0 HD23 LEU A 50 -4.288 7.018 -1.699 1.00 62.35 H new ATOM 811 N GLU A 51 -3.216 9.010 -3.123 1.00 43.24 N ATOM 812 CA GLU A 51 -3.030 10.195 -2.299 1.00 23.02 C ATOM 813 C GLU A 51 -3.084 9.812 -0.821 1.00 11.03 C ATOM 814 O GLU A 51 -3.959 9.062 -0.396 1.00 21.00 O ATOM 815 CB GLU A 51 -4.083 11.243 -2.688 1.00 20.55 C ATOM 816 CG GLU A 51 -3.697 12.636 -2.180 1.00 62.11 C ATOM 817 CD GLU A 51 -4.402 13.769 -2.935 1.00 33.41 C ATOM 818 OE1 GLU A 51 -4.361 13.791 -4.187 1.00 2.23 O ATOM 819 OE2 GLU A 51 -4.859 14.740 -2.298 1.00 42.52 O ATOM 0 H GLU A 51 -4.100 9.015 -3.633 1.00 43.24 H new ATOM 0 HA GLU A 51 -2.049 10.637 -2.470 1.00 23.02 H new ATOM 0 HB2 GLU A 51 -4.192 11.267 -3.772 1.00 20.55 H new ATOM 0 HB3 GLU A 51 -5.051 10.959 -2.276 1.00 20.55 H new ATOM 0 HG2 GLU A 51 -3.938 12.709 -1.120 1.00 62.11 H new ATOM 0 HG3 GLU A 51 -2.618 12.763 -2.271 1.00 62.11 H new ATOM 826 N ASP A 52 -2.085 10.259 -0.066 1.00 43.30 N ATOM 827 CA ASP A 52 -1.866 10.030 1.362 1.00 62.12 C ATOM 828 C ASP A 52 -2.923 10.660 2.274 1.00 25.32 C ATOM 829 O ASP A 52 -3.533 11.676 1.936 1.00 4.44 O ATOM 830 CB ASP A 52 -0.470 10.532 1.764 1.00 62.32 C ATOM 831 CG ASP A 52 -0.419 12.039 1.994 1.00 34.25 C ATOM 832 OD1 ASP A 52 -0.632 12.805 1.028 1.00 43.33 O ATOM 833 OD2 ASP A 52 -0.118 12.471 3.129 1.00 71.43 O ATOM 0 H ASP A 52 -1.347 10.838 -0.468 1.00 43.30 H new ATOM 0 HA ASP A 52 -1.948 8.953 1.506 1.00 62.12 H new ATOM 0 HB2 ASP A 52 -0.155 10.021 2.674 1.00 62.32 H new ATOM 0 HB3 ASP A 52 0.244 10.265 0.985 1.00 62.32 H new ATOM 838 N GLY A 53 -3.161 10.022 3.423 1.00 62.40 N ATOM 839 CA GLY A 53 -4.103 10.477 4.440 1.00 35.11 C ATOM 840 C GLY A 53 -5.564 10.104 4.214 1.00 13.34 C ATOM 841 O GLY A 53 -6.429 10.624 4.922 1.00 44.12 O ATOM 0 H GLY A 53 -2.690 9.153 3.675 1.00 62.40 H new ATOM 0 HA2 GLY A 53 -3.790 10.073 5.403 1.00 35.11 H new ATOM 0 HA3 GLY A 53 -4.033 11.562 4.512 1.00 35.11 H new ATOM 845 N ARG A 54 -5.884 9.276 3.223 1.00 32.05 N ATOM 846 CA ARG A 54 -7.246 8.847 2.910 1.00 70.20 C ATOM 847 C ARG A 54 -7.462 7.436 3.457 1.00 44.13 C ATOM 848 O ARG A 54 -6.513 6.741 3.839 1.00 63.13 O ATOM 849 CB ARG A 54 -7.495 8.934 1.392 1.00 73.13 C ATOM 850 CG ARG A 54 -7.840 10.347 0.887 1.00 21.34 C ATOM 851 CD ARG A 54 -6.677 11.346 0.942 1.00 0.42 C ATOM 852 NE ARG A 54 -7.108 12.669 0.477 1.00 34.21 N ATOM 853 CZ ARG A 54 -6.384 13.790 0.544 1.00 51.33 C ATOM 854 NH1 ARG A 54 -5.120 13.793 0.957 1.00 33.11 N ATOM 855 NH2 ARG A 54 -6.948 14.933 0.187 1.00 25.11 N ATOM 0 H ARG A 54 -5.185 8.874 2.598 1.00 32.05 H new ATOM 0 HA ARG A 54 -7.971 9.507 3.386 1.00 70.20 H new ATOM 0 HB2 ARG A 54 -6.606 8.581 0.869 1.00 73.13 H new ATOM 0 HB3 ARG A 54 -8.309 8.258 1.130 1.00 73.13 H new ATOM 0 HG2 ARG A 54 -8.192 10.275 -0.142 1.00 21.34 H new ATOM 0 HG3 ARG A 54 -8.667 10.739 1.480 1.00 21.34 H new ATOM 0 HD2 ARG A 54 -6.301 11.418 1.963 1.00 0.42 H new ATOM 0 HD3 ARG A 54 -5.854 10.988 0.324 1.00 0.42 H new ATOM 0 HE ARG A 54 -8.040 12.739 0.068 1.00 34.21 H new ATOM 0 HH11 ARG A 54 -4.672 12.920 1.236 1.00 33.11 H new ATOM 0 HH12 ARG A 54 -4.598 14.668 0.995 1.00 33.11 H new ATOM 0 HH21 ARG A 54 -7.917 14.946 -0.131 1.00 25.11 H new ATOM 0 HH22 ARG A 54 -6.414 15.801 0.230 1.00 25.11 H new ATOM 869 N THR A 55 -8.717 7.004 3.502 1.00 52.11 N ATOM 870 CA THR A 55 -9.100 5.693 3.997 1.00 61.35 C ATOM 871 C THR A 55 -9.750 4.900 2.859 1.00 54.53 C ATOM 872 O THR A 55 -10.138 5.470 1.840 1.00 34.32 O ATOM 873 CB THR A 55 -10.002 5.864 5.230 1.00 2.22 C ATOM 874 OG1 THR A 55 -11.278 6.315 4.828 1.00 22.21 O ATOM 875 CG2 THR A 55 -9.462 6.829 6.291 1.00 64.43 C ATOM 0 H THR A 55 -9.508 7.567 3.190 1.00 52.11 H new ATOM 0 HA THR A 55 -8.233 5.118 4.323 1.00 61.35 H new ATOM 0 HB THR A 55 -10.044 4.879 5.694 1.00 2.22 H new ATOM 0 HG1 THR A 55 -11.851 6.421 5.616 1.00 22.21 H new ATOM 0 HG21 THR A 55 -10.165 6.886 7.122 1.00 64.43 H new ATOM 0 HG22 THR A 55 -8.499 6.469 6.654 1.00 64.43 H new ATOM 0 HG23 THR A 55 -9.338 7.819 5.853 1.00 64.43 H new ATOM 883 N LEU A 56 -9.866 3.580 2.993 1.00 20.13 N ATOM 884 CA LEU A 56 -10.471 2.693 2.020 1.00 25.21 C ATOM 885 C LEU A 56 -11.915 3.143 1.779 1.00 44.20 C ATOM 886 O LEU A 56 -12.366 3.154 0.640 1.00 71.24 O ATOM 887 CB LEU A 56 -10.463 1.243 2.562 1.00 22.04 C ATOM 888 CG LEU A 56 -9.125 0.684 3.082 1.00 30.41 C ATOM 889 CD1 LEU A 56 -9.329 -0.777 3.485 1.00 62.44 C ATOM 890 CD2 LEU A 56 -7.952 0.777 2.102 1.00 63.15 C ATOM 0 H LEU A 56 -9.525 3.086 3.818 1.00 20.13 H new ATOM 0 HA LEU A 56 -9.909 2.726 1.087 1.00 25.21 H new ATOM 0 HB2 LEU A 56 -11.190 1.183 3.372 1.00 22.04 H new ATOM 0 HB3 LEU A 56 -10.816 0.585 1.768 1.00 22.04 H new ATOM 0 HG LEU A 56 -8.846 1.313 3.927 1.00 30.41 H new ATOM 0 HD11 LEU A 56 -8.389 -1.187 3.856 1.00 62.44 H new ATOM 0 HD12 LEU A 56 -10.085 -0.836 4.268 1.00 62.44 H new ATOM 0 HD13 LEU A 56 -9.659 -1.351 2.619 1.00 62.44 H new ATOM 0 HD21 LEU A 56 -7.058 0.357 2.563 1.00 63.15 H new ATOM 0 HD22 LEU A 56 -8.189 0.219 1.196 1.00 63.15 H new ATOM 0 HD23 LEU A 56 -7.772 1.822 1.847 1.00 63.15 H new ATOM 902 N SER A 57 -12.640 3.472 2.847 1.00 14.54 N ATOM 903 CA SER A 57 -14.012 3.921 2.783 1.00 54.43 C ATOM 904 C SER A 57 -14.108 5.312 2.150 1.00 34.23 C ATOM 905 O SER A 57 -14.893 5.491 1.215 1.00 51.11 O ATOM 906 CB SER A 57 -14.618 3.901 4.194 1.00 4.52 C ATOM 907 OG SER A 57 -16.036 3.915 4.134 1.00 31.41 O ATOM 0 H SER A 57 -12.273 3.430 3.798 1.00 14.54 H new ATOM 0 HA SER A 57 -14.582 3.244 2.147 1.00 54.43 H new ATOM 0 HB2 SER A 57 -14.281 3.012 4.727 1.00 4.52 H new ATOM 0 HB3 SER A 57 -14.265 4.764 4.759 1.00 4.52 H new ATOM 0 HG SER A 57 -16.402 3.900 5.043 1.00 31.41 H new ATOM 913 N ASP A 58 -13.282 6.268 2.575 1.00 20.20 N ATOM 914 CA ASP A 58 -13.319 7.636 2.059 1.00 55.41 C ATOM 915 C ASP A 58 -12.949 7.665 0.583 1.00 52.55 C ATOM 916 O ASP A 58 -13.581 8.384 -0.191 1.00 74.21 O ATOM 917 CB ASP A 58 -12.407 8.581 2.862 1.00 12.10 C ATOM 918 CG ASP A 58 -12.901 8.901 4.281 1.00 64.24 C ATOM 919 OD1 ASP A 58 -13.761 8.180 4.837 1.00 34.12 O ATOM 920 OD2 ASP A 58 -12.385 9.876 4.873 1.00 61.10 O ATOM 0 H ASP A 58 -12.568 6.115 3.287 1.00 20.20 H new ATOM 0 HA ASP A 58 -14.342 7.995 2.172 1.00 55.41 H new ATOM 0 HB2 ASP A 58 -11.415 8.135 2.930 1.00 12.10 H new ATOM 0 HB3 ASP A 58 -12.300 9.515 2.311 1.00 12.10 H new ATOM 925 N TYR A 59 -11.951 6.878 0.167 1.00 61.40 N ATOM 926 CA TYR A 59 -11.493 6.797 -1.216 1.00 45.24 C ATOM 927 C TYR A 59 -12.305 5.766 -2.008 1.00 41.23 C ATOM 928 O TYR A 59 -12.038 5.545 -3.197 1.00 25.25 O ATOM 929 CB TYR A 59 -9.989 6.465 -1.257 1.00 2.10 C ATOM 930 CG TYR A 59 -9.112 7.356 -2.114 1.00 44.01 C ATOM 931 CD1 TYR A 59 -9.600 8.011 -3.264 1.00 65.43 C ATOM 932 CD2 TYR A 59 -7.772 7.541 -1.722 1.00 72.04 C ATOM 933 CE1 TYR A 59 -8.758 8.864 -3.995 1.00 72.43 C ATOM 934 CE2 TYR A 59 -6.930 8.395 -2.447 1.00 65.03 C ATOM 935 CZ TYR A 59 -7.420 9.056 -3.588 1.00 53.41 C ATOM 936 OH TYR A 59 -6.563 9.790 -4.341 1.00 74.23 O ATOM 0 H TYR A 59 -11.431 6.269 0.799 1.00 61.40 H new ATOM 0 HA TYR A 59 -11.647 7.768 -1.688 1.00 45.24 H new ATOM 0 HB2 TYR A 59 -9.607 6.494 -0.236 1.00 2.10 H new ATOM 0 HB3 TYR A 59 -9.878 5.440 -1.610 1.00 2.10 H new ATOM 0 HD1 TYR A 59 -10.621 7.856 -3.582 1.00 65.43 H new ATOM 0 HD2 TYR A 59 -7.390 7.021 -0.856 1.00 72.04 H new ATOM 0 HE1 TYR A 59 -9.134 9.374 -4.870 1.00 72.43 H new ATOM 0 HE2 TYR A 59 -5.908 8.545 -2.131 1.00 65.03 H new ATOM 0 HH TYR A 59 -7.062 10.479 -4.827 1.00 74.23 H new ATOM 946 N ASN A 60 -13.296 5.132 -1.367 1.00 32.12 N ATOM 947 CA ASN A 60 -14.184 4.110 -1.911 1.00 51.03 C ATOM 948 C ASN A 60 -13.382 3.050 -2.677 1.00 71.22 C ATOM 949 O ASN A 60 -13.776 2.692 -3.795 1.00 33.24 O ATOM 950 CB ASN A 60 -15.233 4.765 -2.827 1.00 5.40 C ATOM 951 CG ASN A 60 -16.157 5.754 -2.147 1.00 14.42 C ATOM 952 OD1 ASN A 60 -15.933 6.959 -2.204 1.00 50.41 O ATOM 953 ND2 ASN A 60 -17.241 5.277 -1.563 1.00 51.02 N ATOM 0 H ASN A 60 -13.508 5.337 -0.391 1.00 32.12 H new ATOM 0 HA ASN A 60 -14.697 3.613 -1.087 1.00 51.03 H new ATOM 0 HB2 ASN A 60 -14.715 5.276 -3.639 1.00 5.40 H new ATOM 0 HB3 ASN A 60 -15.838 3.979 -3.279 1.00 5.40 H new ATOM 0 HD21 ASN A 60 -17.918 5.915 -1.145 1.00 51.02 H new ATOM 0 HD22 ASN A 60 -17.402 4.270 -1.530 1.00 51.02 H new ATOM 960 N ILE A 61 -12.242 2.588 -2.143 1.00 41.54 N ATOM 961 CA ILE A 61 -11.429 1.604 -2.874 1.00 13.22 C ATOM 962 C ILE A 61 -12.195 0.319 -3.235 1.00 12.22 C ATOM 963 O ILE A 61 -13.127 -0.083 -2.529 1.00 33.12 O ATOM 964 CB ILE A 61 -10.106 1.312 -2.143 1.00 3.12 C ATOM 965 CG1 ILE A 61 -10.317 0.621 -0.786 1.00 53.30 C ATOM 966 CG2 ILE A 61 -9.313 2.610 -1.910 1.00 4.40 C ATOM 967 CD1 ILE A 61 -10.385 -0.901 -0.835 1.00 23.43 C ATOM 0 H ILE A 61 -11.870 2.869 -1.236 1.00 41.54 H new ATOM 0 HA ILE A 61 -11.181 2.065 -3.830 1.00 13.22 H new ATOM 0 HB ILE A 61 -9.548 0.636 -2.791 1.00 3.12 H new ATOM 0 HG12 ILE A 61 -9.505 0.911 -0.119 1.00 53.30 H new ATOM 0 HG13 ILE A 61 -11.241 0.996 -0.345 1.00 53.30 H new ATOM 0 HG21 ILE A 61 -8.382 2.380 -1.392 1.00 4.40 H new ATOM 0 HG22 ILE A 61 -9.089 3.077 -2.869 1.00 4.40 H new ATOM 0 HG23 ILE A 61 -9.906 3.295 -1.303 1.00 4.40 H new ATOM 0 HD11 ILE A 61 -10.536 -1.291 0.172 1.00 23.43 H new ATOM 0 HD12 ILE A 61 -11.215 -1.208 -1.471 1.00 23.43 H new ATOM 0 HD13 ILE A 61 -9.453 -1.294 -1.241 1.00 23.43 H new ATOM 979 N GLN A 62 -11.786 -0.336 -4.324 1.00 42.23 N ATOM 980 CA GLN A 62 -12.376 -1.576 -4.826 1.00 32.12 C ATOM 981 C GLN A 62 -11.837 -2.757 -4.003 1.00 12.12 C ATOM 982 O GLN A 62 -10.687 -2.733 -3.565 1.00 13.31 O ATOM 983 CB GLN A 62 -12.029 -1.710 -6.327 1.00 42.12 C ATOM 984 CG GLN A 62 -12.697 -2.907 -7.028 1.00 2.44 C ATOM 985 CD GLN A 62 -12.484 -2.907 -8.545 1.00 1.11 C ATOM 986 OE1 GLN A 62 -12.965 -2.030 -9.257 1.00 71.22 O ATOM 987 NE2 GLN A 62 -11.772 -3.884 -9.087 1.00 53.45 N ATOM 0 H GLN A 62 -11.010 -0.006 -4.898 1.00 42.23 H new ATOM 0 HA GLN A 62 -13.461 -1.568 -4.724 1.00 32.12 H new ATOM 0 HB2 GLN A 62 -12.323 -0.794 -6.839 1.00 42.12 H new ATOM 0 HB3 GLN A 62 -10.948 -1.800 -6.431 1.00 42.12 H new ATOM 0 HG2 GLN A 62 -12.301 -3.833 -6.611 1.00 2.44 H new ATOM 0 HG3 GLN A 62 -13.766 -2.894 -6.817 1.00 2.44 H new ATOM 0 HE21 GLN A 62 -11.372 -4.613 -8.495 1.00 53.45 H new ATOM 0 HE22 GLN A 62 -11.623 -3.908 -10.096 1.00 53.45 H new ATOM 996 N LYS A 63 -12.649 -3.789 -3.738 1.00 73.35 N ATOM 997 CA LYS A 63 -12.180 -4.955 -2.974 1.00 34.14 C ATOM 998 C LYS A 63 -11.217 -5.746 -3.862 1.00 73.51 C ATOM 999 O LYS A 63 -11.437 -5.796 -5.078 1.00 52.35 O ATOM 1000 CB LYS A 63 -13.378 -5.819 -2.520 1.00 14.33 C ATOM 1001 CG LYS A 63 -12.967 -6.956 -1.565 1.00 23.33 C ATOM 1002 CD LYS A 63 -14.158 -7.702 -0.948 1.00 33.13 C ATOM 1003 CE LYS A 63 -14.617 -8.930 -1.740 1.00 64.21 C ATOM 1004 NZ LYS A 63 -13.734 -10.102 -1.555 1.00 4.10 N ATOM 0 H LYS A 63 -13.623 -3.842 -4.037 1.00 73.35 H new ATOM 0 HA LYS A 63 -11.659 -4.638 -2.071 1.00 34.14 H new ATOM 0 HB2 LYS A 63 -14.112 -5.183 -2.025 1.00 14.33 H new ATOM 0 HB3 LYS A 63 -13.865 -6.246 -3.397 1.00 14.33 H new ATOM 0 HG2 LYS A 63 -12.345 -7.668 -2.108 1.00 23.33 H new ATOM 0 HG3 LYS A 63 -12.354 -6.543 -0.764 1.00 23.33 H new ATOM 0 HD2 LYS A 63 -13.891 -8.015 0.061 1.00 33.13 H new ATOM 0 HD3 LYS A 63 -14.996 -7.011 -0.856 1.00 33.13 H new ATOM 0 HE2 LYS A 63 -15.630 -9.194 -1.435 1.00 64.21 H new ATOM 0 HE3 LYS A 63 -14.658 -8.677 -2.799 1.00 64.21 H new ATOM 0 HZ1 LYS A 63 -13.014 -10.116 -2.305 1.00 4.10 H new ATOM 0 HZ2 LYS A 63 -13.267 -10.042 -0.628 1.00 4.10 H new ATOM 0 HZ3 LYS A 63 -14.299 -10.974 -1.602 1.00 4.10 H new ATOM 1018 N GLU A 64 -10.211 -6.408 -3.280 1.00 52.12 N ATOM 1019 CA GLU A 64 -9.235 -7.206 -4.021 1.00 2.02 C ATOM 1020 C GLU A 64 -8.507 -6.360 -5.076 1.00 62.42 C ATOM 1021 O GLU A 64 -8.270 -6.794 -6.204 1.00 14.12 O ATOM 1022 CB GLU A 64 -9.893 -8.508 -4.526 1.00 51.34 C ATOM 1023 CG GLU A 64 -10.068 -9.478 -3.352 1.00 33.12 C ATOM 1024 CD GLU A 64 -11.021 -10.622 -3.679 1.00 12.24 C ATOM 1025 OE1 GLU A 64 -12.240 -10.365 -3.812 1.00 45.11 O ATOM 1026 OE2 GLU A 64 -10.582 -11.793 -3.687 1.00 2.21 O ATOM 0 H GLU A 64 -10.052 -6.403 -2.272 1.00 52.12 H new ATOM 0 HA GLU A 64 -8.431 -7.535 -3.363 1.00 2.02 H new ATOM 0 HB2 GLU A 64 -10.860 -8.288 -4.978 1.00 51.34 H new ATOM 0 HB3 GLU A 64 -9.276 -8.964 -5.300 1.00 51.34 H new ATOM 0 HG2 GLU A 64 -9.096 -9.887 -3.074 1.00 33.12 H new ATOM 0 HG3 GLU A 64 -10.444 -8.932 -2.486 1.00 33.12 H new ATOM 1033 N SER A 65 -8.246 -5.095 -4.744 1.00 45.43 N ATOM 1034 CA SER A 65 -7.527 -4.173 -5.601 1.00 41.42 C ATOM 1035 C SER A 65 -6.074 -4.658 -5.596 1.00 11.34 C ATOM 1036 O SER A 65 -5.584 -5.130 -4.563 1.00 4.35 O ATOM 1037 CB SER A 65 -7.649 -2.759 -5.027 1.00 53.23 C ATOM 1038 OG SER A 65 -7.042 -1.813 -5.866 1.00 4.34 O ATOM 0 H SER A 65 -8.536 -4.683 -3.857 1.00 45.43 H new ATOM 0 HA SER A 65 -7.918 -4.143 -6.618 1.00 41.42 H new ATOM 0 HB2 SER A 65 -8.701 -2.508 -4.894 1.00 53.23 H new ATOM 0 HB3 SER A 65 -7.186 -2.724 -4.041 1.00 53.23 H new ATOM 0 HG SER A 65 -7.506 -1.796 -6.729 1.00 4.34 H new ATOM 1044 N THR A 66 -5.398 -4.543 -6.736 1.00 41.55 N ATOM 1045 CA THR A 66 -4.019 -4.962 -6.900 1.00 61.33 C ATOM 1046 C THR A 66 -3.141 -3.717 -6.780 1.00 13.50 C ATOM 1047 O THR A 66 -2.875 -3.006 -7.748 1.00 25.31 O ATOM 1048 CB THR A 66 -3.899 -5.780 -8.204 1.00 75.54 C ATOM 1049 OG1 THR A 66 -2.573 -6.191 -8.450 1.00 20.14 O ATOM 1050 CG2 THR A 66 -4.444 -5.108 -9.470 1.00 33.43 C ATOM 0 H THR A 66 -5.805 -4.148 -7.584 1.00 41.55 H new ATOM 0 HA THR A 66 -3.665 -5.642 -6.126 1.00 61.33 H new ATOM 0 HB THR A 66 -4.542 -6.638 -8.007 1.00 75.54 H new ATOM 0 HG1 THR A 66 -2.540 -6.707 -9.283 1.00 20.14 H new ATOM 0 HG21 THR A 66 -4.307 -5.773 -10.323 1.00 33.43 H new ATOM 0 HG22 THR A 66 -5.506 -4.897 -9.342 1.00 33.43 H new ATOM 0 HG23 THR A 66 -3.907 -4.176 -9.647 1.00 33.43 H new ATOM 1058 N LEU A 67 -2.679 -3.423 -5.565 1.00 35.11 N ATOM 1059 CA LEU A 67 -1.831 -2.264 -5.317 1.00 71.52 C ATOM 1060 C LEU A 67 -0.385 -2.621 -5.641 1.00 1.44 C ATOM 1061 O LEU A 67 0.053 -3.737 -5.352 1.00 61.31 O ATOM 1062 CB LEU A 67 -1.907 -1.854 -3.845 1.00 33.10 C ATOM 1063 CG LEU A 67 -3.160 -1.061 -3.450 1.00 43.14 C ATOM 1064 CD1 LEU A 67 -4.434 -1.904 -3.436 1.00 1.50 C ATOM 1065 CD2 LEU A 67 -2.957 -0.531 -2.036 1.00 52.20 C ATOM 0 H LEU A 67 -2.881 -3.978 -4.733 1.00 35.11 H new ATOM 0 HA LEU A 67 -2.174 -1.441 -5.944 1.00 71.52 H new ATOM 0 HB2 LEU A 67 -1.858 -2.753 -3.231 1.00 33.10 H new ATOM 0 HB3 LEU A 67 -1.028 -1.256 -3.605 1.00 33.10 H new ATOM 0 HG LEU A 67 -3.287 -0.273 -4.193 1.00 43.14 H new ATOM 0 HD11 LEU A 67 -5.280 -1.280 -3.148 1.00 1.50 H new ATOM 0 HD12 LEU A 67 -4.608 -2.316 -4.430 1.00 1.50 H new ATOM 0 HD13 LEU A 67 -4.324 -2.718 -2.720 1.00 1.50 H new ATOM 0 HD21 LEU A 67 -3.836 0.038 -1.731 1.00 52.20 H new ATOM 0 HD22 LEU A 67 -2.810 -1.367 -1.352 1.00 52.20 H new ATOM 0 HD23 LEU A 67 -2.080 0.116 -2.012 1.00 52.20 H new ATOM 1077 N HIS A 68 0.369 -1.670 -6.194 1.00 65.13 N ATOM 1078 CA HIS A 68 1.774 -1.848 -6.537 1.00 72.12 C ATOM 1079 C HIS A 68 2.569 -0.868 -5.677 1.00 14.42 C ATOM 1080 O HIS A 68 2.273 0.335 -5.670 1.00 24.20 O ATOM 1081 CB HIS A 68 2.045 -1.574 -8.026 1.00 14.51 C ATOM 1082 CG HIS A 68 1.473 -2.565 -9.017 1.00 52.12 C ATOM 1083 ND1 HIS A 68 2.182 -3.199 -10.017 1.00 64.14 N ATOM 1084 CD2 HIS A 68 0.155 -2.908 -9.172 1.00 12.01 C ATOM 1085 CE1 HIS A 68 1.310 -3.916 -10.745 1.00 35.43 C ATOM 1086 NE2 HIS A 68 0.060 -3.766 -10.274 1.00 64.50 N ATOM 0 H HIS A 68 0.012 -0.741 -6.418 1.00 65.13 H new ATOM 0 HA HIS A 68 2.067 -2.881 -6.351 1.00 72.12 H new ATOM 0 HB2 HIS A 68 1.651 -0.587 -8.267 1.00 14.51 H new ATOM 0 HB3 HIS A 68 3.124 -1.531 -8.173 1.00 14.51 H new ATOM 0 HD2 HIS A 68 -0.665 -2.575 -8.553 1.00 12.01 H new ATOM 0 HE1 HIS A 68 1.577 -4.529 -11.593 1.00 35.43 H new ATOM 0 HE2 HIS A 68 -0.789 -4.192 -10.646 1.00 64.50 H new ATOM 1094 N LEU A 69 3.546 -1.385 -4.938 1.00 1.02 N ATOM 1095 CA LEU A 69 4.437 -0.628 -4.065 1.00 52.33 C ATOM 1096 C LEU A 69 5.825 -0.634 -4.680 1.00 1.13 C ATOM 1097 O LEU A 69 6.227 -1.636 -5.276 1.00 74.14 O ATOM 1098 CB LEU A 69 4.505 -1.230 -2.657 1.00 32.55 C ATOM 1099 CG LEU A 69 3.314 -0.854 -1.763 1.00 61.03 C ATOM 1100 CD1 LEU A 69 3.391 -1.650 -0.464 1.00 45.25 C ATOM 1101 CD2 LEU A 69 3.292 0.627 -1.378 1.00 32.41 C ATOM 0 H LEU A 69 3.747 -2.385 -4.931 1.00 1.02 H new ATOM 0 HA LEU A 69 4.051 0.387 -3.971 1.00 52.33 H new ATOM 0 HB2 LEU A 69 4.557 -2.316 -2.738 1.00 32.55 H new ATOM 0 HB3 LEU A 69 5.426 -0.902 -2.176 1.00 32.55 H new ATOM 0 HG LEU A 69 2.416 -1.077 -2.340 1.00 61.03 H new ATOM 0 HD11 LEU A 69 2.548 -1.387 0.175 1.00 45.25 H new ATOM 0 HD12 LEU A 69 3.358 -2.716 -0.688 1.00 45.25 H new ATOM 0 HD13 LEU A 69 4.323 -1.417 0.051 1.00 45.25 H new ATOM 0 HD21 LEU A 69 2.426 0.826 -0.747 1.00 32.41 H new ATOM 0 HD22 LEU A 69 4.203 0.875 -0.833 1.00 32.41 H new ATOM 0 HD23 LEU A 69 3.231 1.236 -2.280 1.00 32.41 H new ATOM 1113 N VAL A 70 6.528 0.489 -4.587 1.00 71.01 N ATOM 1114 CA VAL A 70 7.877 0.633 -5.110 1.00 22.13 C ATOM 1115 C VAL A 70 8.814 0.853 -3.925 1.00 50.41 C ATOM 1116 O VAL A 70 8.529 1.665 -3.041 1.00 12.40 O ATOM 1117 CB VAL A 70 7.950 1.741 -6.180 1.00 3.14 C ATOM 1118 CG1 VAL A 70 7.048 1.400 -7.375 1.00 62.02 C ATOM 1119 CG2 VAL A 70 7.532 3.123 -5.672 1.00 10.11 C ATOM 0 H VAL A 70 6.171 1.334 -4.141 1.00 71.01 H new ATOM 0 HA VAL A 70 8.192 -0.270 -5.633 1.00 22.13 H new ATOM 0 HB VAL A 70 9.001 1.785 -6.467 1.00 3.14 H new ATOM 0 HG11 VAL A 70 7.114 2.194 -8.119 1.00 62.02 H new ATOM 0 HG12 VAL A 70 7.373 0.459 -7.819 1.00 62.02 H new ATOM 0 HG13 VAL A 70 6.016 1.304 -7.037 1.00 62.02 H new ATOM 0 HG21 VAL A 70 7.610 3.848 -6.483 1.00 10.11 H new ATOM 0 HG22 VAL A 70 6.502 3.084 -5.318 1.00 10.11 H new ATOM 0 HG23 VAL A 70 8.186 3.423 -4.853 1.00 10.11 H new ATOM 1129 N LEU A 71 9.892 0.075 -3.882 1.00 22.15 N ATOM 1130 CA LEU A 71 10.932 0.122 -2.859 1.00 31.03 C ATOM 1131 C LEU A 71 12.076 0.988 -3.398 1.00 35.31 C ATOM 1132 O LEU A 71 12.061 1.369 -4.573 1.00 32.32 O ATOM 1133 CB LEU A 71 11.449 -1.309 -2.573 1.00 44.34 C ATOM 1134 CG LEU A 71 10.623 -2.152 -1.580 1.00 21.14 C ATOM 1135 CD1 LEU A 71 9.135 -2.254 -1.926 1.00 14.04 C ATOM 1136 CD2 LEU A 71 11.222 -3.558 -1.499 1.00 63.42 C ATOM 0 H LEU A 71 10.072 -0.636 -4.590 1.00 22.15 H new ATOM 0 HA LEU A 71 10.539 0.540 -1.932 1.00 31.03 H new ATOM 0 HB2 LEU A 71 11.501 -1.849 -3.519 1.00 44.34 H new ATOM 0 HB3 LEU A 71 12.468 -1.234 -2.193 1.00 44.34 H new ATOM 0 HG LEU A 71 10.676 -1.637 -0.621 1.00 21.14 H new ATOM 0 HD11 LEU A 71 8.628 -2.863 -1.178 1.00 14.04 H new ATOM 0 HD12 LEU A 71 8.695 -1.257 -1.940 1.00 14.04 H new ATOM 0 HD13 LEU A 71 9.020 -2.715 -2.907 1.00 14.04 H new ATOM 0 HD21 LEU A 71 10.643 -4.160 -0.799 1.00 63.42 H new ATOM 0 HD22 LEU A 71 11.195 -4.022 -2.485 1.00 63.42 H new ATOM 0 HD23 LEU A 71 12.255 -3.494 -1.156 1.00 63.42 H new ATOM 1148 N ARG A 72 13.040 1.309 -2.533 1.00 33.52 N ATOM 1149 CA ARG A 72 14.266 2.080 -2.740 1.00 0.42 C ATOM 1150 C ARG A 72 14.965 2.139 -1.386 1.00 52.11 C ATOM 1151 O ARG A 72 14.304 2.010 -0.355 1.00 43.43 O ATOM 1152 CB ARG A 72 14.021 3.503 -3.287 1.00 63.33 C ATOM 1153 CG ARG A 72 14.326 3.631 -4.794 1.00 50.22 C ATOM 1154 CD ARG A 72 15.818 3.485 -5.125 1.00 54.32 C ATOM 1155 NE ARG A 72 16.601 4.599 -4.577 1.00 32.15 N ATOM 1156 CZ ARG A 72 17.928 4.725 -4.616 1.00 44.13 C ATOM 1157 NH1 ARG A 72 18.692 3.773 -5.137 1.00 41.32 N ATOM 1158 NH2 ARG A 72 18.502 5.823 -4.152 1.00 11.43 N ATOM 0 H ARG A 72 12.972 1.000 -1.563 1.00 33.52 H new ATOM 0 HA ARG A 72 14.873 1.591 -3.502 1.00 0.42 H new ATOM 0 HB2 ARG A 72 12.983 3.781 -3.107 1.00 63.33 H new ATOM 0 HB3 ARG A 72 14.641 4.210 -2.735 1.00 63.33 H new ATOM 0 HG2 ARG A 72 13.764 2.871 -5.337 1.00 50.22 H new ATOM 0 HG3 ARG A 72 13.975 4.601 -5.148 1.00 50.22 H new ATOM 0 HD2 ARG A 72 16.191 2.543 -4.722 1.00 54.32 H new ATOM 0 HD3 ARG A 72 15.950 3.443 -6.206 1.00 54.32 H new ATOM 0 HE ARG A 72 16.080 5.349 -4.123 1.00 32.15 H new ATOM 0 HH11 ARG A 72 18.266 2.927 -5.516 1.00 41.32 H new ATOM 0 HH12 ARG A 72 19.705 3.887 -5.158 1.00 41.32 H new ATOM 0 HH21 ARG A 72 17.930 6.573 -3.764 1.00 11.43 H new ATOM 0 HH22 ARG A 72 19.517 5.919 -4.182 1.00 11.43 H new