USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 532 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 43 HIS : no HD1:sc= 1.08 K(o=2.4,f=-5!) USER MOD Set 1.2: A 44 SER OG : rot -103:sc= 1.29 USER MOD Set 2.1: A 33 HIS : no HD1:sc= -0.306 X(o=-0.35,f=-0.044) USER MOD Set 2.2: A 35 SER OG : rot 180:sc= -0.0412 USER MOD Set 3.1: A 23 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.3) USER MOD Set 3.2: A 25 ASN : amide:sc= 0 X(o=-0.14,f=-0.14) USER MOD Set 4.1: A 12 TYR OH : rot -124:sc= 0.241 USER MOD Set 4.2: A 17 ASN :FLIP amide:sc= -0.696 F(o=-1.6,f=-0.45) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.08) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= 1.93 (180deg=1.61) USER MOD Single : A 13 ASN : amide:sc= 0.131 K(o=0.13,f=-9.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc=-0.00715 (180deg=-0.111) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0469 F(o=-2.4!,f=-0.047) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0471 (180deg=-0.307) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.522 K(o=-0.52,f=-2.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.243 11.338 3.739 1.00 5.01 N ATOM 21 CA ALA A 2 1.851 11.424 4.095 1.00 73.22 C ATOM 22 C ALA A 2 1.531 10.345 5.100 1.00 13.05 C ATOM 23 O ALA A 2 2.134 9.275 5.063 1.00 53.04 O ATOM 24 CB ALA A 2 0.992 11.282 2.863 1.00 20.41 C ATOM 0 HA ALA A 2 1.643 12.397 4.540 1.00 73.22 H new ATOM 0 HB1 ALA A 2 -0.059 11.348 3.143 1.00 20.41 H new ATOM 0 HB2 ALA A 2 1.231 12.079 2.159 1.00 20.41 H new ATOM 0 HB3 ALA A 2 1.183 10.316 2.396 1.00 20.41 H new ATOM 30 N THR A 3 0.617 10.617 5.982 1.00 31.22 N ATOM 31 CA THR A 3 0.278 9.693 7.030 1.00 1.02 C ATOM 32 C THR A 3 -1.231 9.486 7.153 1.00 10.22 C ATOM 33 O THR A 3 -2.018 10.364 6.776 1.00 14.21 O ATOM 34 CB THR A 3 0.843 10.190 8.387 1.00 60.03 C ATOM 35 OG1 THR A 3 0.478 11.571 8.596 1.00 4.12 O ATOM 36 CG2 THR A 3 2.356 10.045 8.442 1.00 71.23 C ATOM 0 H THR A 3 0.083 11.486 5.998 1.00 31.22 H new ATOM 0 HA THR A 3 0.727 8.735 6.768 1.00 1.02 H new ATOM 0 HB THR A 3 0.413 9.574 9.177 1.00 60.03 H new ATOM 0 HG1 THR A 3 0.836 11.878 9.455 1.00 4.12 H new ATOM 0 HG21 THR A 3 2.721 10.402 9.405 1.00 71.23 H new ATOM 0 HG22 THR A 3 2.626 8.996 8.318 1.00 71.23 H new ATOM 0 HG23 THR A 3 2.807 10.633 7.643 1.00 71.23 H new ATOM 44 N ASN A 4 -1.617 8.297 7.662 1.00 22.31 N ATOM 45 CA ASN A 4 -3.029 7.941 7.967 1.00 61.55 C ATOM 46 C ASN A 4 -3.890 7.938 6.713 1.00 34.32 C ATOM 47 O ASN A 4 -5.058 8.330 6.742 1.00 32.42 O ATOM 48 CB ASN A 4 -3.619 8.914 9.021 1.00 51.42 C ATOM 49 CG ASN A 4 -2.892 8.862 10.352 1.00 13.14 C ATOM 50 OD1 ASN A 4 -1.922 9.588 10.579 1.00 72.45 O ATOM 51 ND2 ASN A 4 -3.343 8.016 11.239 1.00 63.44 N ATOM 0 H ASN A 4 -0.958 7.549 7.876 1.00 22.31 H new ATOM 0 HA ASN A 4 -3.032 6.931 8.376 1.00 61.55 H new ATOM 0 HB2 ASN A 4 -3.578 9.931 8.631 1.00 51.42 H new ATOM 0 HB3 ASN A 4 -4.671 8.675 9.179 1.00 51.42 H new ATOM 0 HD21 ASN A 4 -2.890 7.942 12.150 1.00 63.44 H new ATOM 0 HD22 ASN A 4 -4.148 7.429 11.021 1.00 63.44 H new ATOM 58 N ILE A 5 -3.336 7.427 5.644 1.00 50.05 N ATOM 59 CA ILE A 5 -3.996 7.418 4.350 1.00 21.22 C ATOM 60 C ILE A 5 -5.093 6.360 4.297 1.00 23.13 C ATOM 61 O ILE A 5 -5.047 5.351 5.024 1.00 2.11 O ATOM 62 CB ILE A 5 -2.974 7.151 3.217 1.00 35.34 C ATOM 63 CG1 ILE A 5 -1.839 8.153 3.316 1.00 14.43 C ATOM 64 CG2 ILE A 5 -3.627 7.199 1.827 1.00 53.14 C ATOM 65 CD1 ILE A 5 -0.860 8.074 2.188 1.00 53.23 C ATOM 0 H ILE A 5 -2.409 7.001 5.639 1.00 50.05 H new ATOM 0 HA ILE A 5 -4.447 8.400 4.208 1.00 21.22 H new ATOM 0 HB ILE A 5 -2.581 6.142 3.343 1.00 35.34 H new ATOM 0 HG12 ILE A 5 -2.258 9.159 3.351 1.00 14.43 H new ATOM 0 HG13 ILE A 5 -1.309 7.995 4.255 1.00 14.43 H new ATOM 0 HG21 ILE A 5 -2.873 7.006 1.064 1.00 53.14 H new ATOM 0 HG22 ILE A 5 -4.408 6.441 1.765 1.00 53.14 H new ATOM 0 HG23 ILE A 5 -4.064 8.184 1.664 1.00 53.14 H new ATOM 0 HD11 ILE A 5 -0.079 8.821 2.331 1.00 53.23 H new ATOM 0 HD12 ILE A 5 -0.412 7.081 2.164 1.00 53.23 H new ATOM 0 HD13 ILE A 5 -1.375 8.262 1.246 1.00 53.23 H new ATOM 77 N VAL A 6 -6.068 6.609 3.467 1.00 75.21 N ATOM 78 CA VAL A 6 -7.145 5.705 3.227 1.00 42.14 C ATOM 79 C VAL A 6 -6.970 5.083 1.872 1.00 43.05 C ATOM 80 O VAL A 6 -6.602 5.771 0.910 1.00 12.01 O ATOM 81 CB VAL A 6 -8.502 6.442 3.181 1.00 12.25 C ATOM 82 CG1 VAL A 6 -9.645 5.473 2.865 1.00 34.03 C ATOM 83 CG2 VAL A 6 -8.757 7.203 4.458 1.00 63.55 C ATOM 0 H VAL A 6 -6.132 7.472 2.927 1.00 75.21 H new ATOM 0 HA VAL A 6 -7.138 4.971 4.033 1.00 42.14 H new ATOM 0 HB VAL A 6 -8.457 7.172 2.373 1.00 12.25 H new ATOM 0 HG11 VAL A 6 -10.588 6.019 2.839 1.00 34.03 H new ATOM 0 HG12 VAL A 6 -9.469 5.006 1.896 1.00 34.03 H new ATOM 0 HG13 VAL A 6 -9.693 4.703 3.635 1.00 34.03 H new ATOM 0 HG21 VAL A 6 -9.720 7.710 4.393 1.00 63.55 H new ATOM 0 HG22 VAL A 6 -8.768 6.509 5.299 1.00 63.55 H new ATOM 0 HG23 VAL A 6 -7.968 7.940 4.606 1.00 63.55 H new ATOM 93 N GLY A 7 -7.187 3.818 1.787 1.00 72.43 N ATOM 94 CA GLY A 7 -7.302 3.228 0.518 1.00 70.31 C ATOM 95 C GLY A 7 -7.634 1.797 0.558 1.00 25.05 C ATOM 96 O GLY A 7 -7.630 1.173 1.598 1.00 64.35 O ATOM 0 H GLY A 7 -7.287 3.183 2.579 1.00 72.43 H new ATOM 0 HA2 GLY A 7 -8.070 3.754 -0.049 1.00 70.31 H new ATOM 0 HA3 GLY A 7 -6.363 3.359 -0.020 1.00 70.31 H new ATOM 100 N LYS A 8 -7.961 1.303 -0.564 1.00 72.22 N ATOM 101 CA LYS A 8 -8.277 -0.059 -0.762 1.00 22.05 C ATOM 102 C LYS A 8 -7.218 -0.687 -1.646 1.00 63.14 C ATOM 103 O LYS A 8 -6.784 -0.078 -2.640 1.00 33.24 O ATOM 104 CB LYS A 8 -9.655 -0.151 -1.397 1.00 45.01 C ATOM 105 CG LYS A 8 -10.115 -1.556 -1.743 1.00 2.42 C ATOM 106 CD LYS A 8 -11.554 -1.549 -2.218 1.00 72.11 C ATOM 107 CE LYS A 8 -12.511 -1.215 -1.078 1.00 52.30 C ATOM 108 NZ LYS A 8 -13.893 -1.014 -1.556 1.00 60.44 N ATOM 0 H LYS A 8 -8.021 1.860 -1.417 1.00 72.22 H new ATOM 0 HA LYS A 8 -8.295 -0.598 0.185 1.00 22.05 H new ATOM 0 HB2 LYS A 8 -10.381 0.295 -0.717 1.00 45.01 H new ATOM 0 HB3 LYS A 8 -9.659 0.450 -2.306 1.00 45.01 H new ATOM 0 HG2 LYS A 8 -9.473 -1.973 -2.519 1.00 2.42 H new ATOM 0 HG3 LYS A 8 -10.019 -2.201 -0.869 1.00 2.42 H new ATOM 0 HD2 LYS A 8 -11.671 -0.820 -3.020 1.00 72.11 H new ATOM 0 HD3 LYS A 8 -11.807 -2.524 -2.634 1.00 72.11 H new ATOM 0 HE2 LYS A 8 -12.495 -2.020 -0.344 1.00 52.30 H new ATOM 0 HE3 LYS A 8 -12.169 -0.314 -0.570 1.00 52.30 H new ATOM 0 HZ1 LYS A 8 -14.486 -0.674 -0.772 1.00 60.44 H new ATOM 0 HZ2 LYS A 8 -13.896 -0.311 -2.323 1.00 60.44 H new ATOM 0 HZ3 LYS A 8 -14.272 -1.915 -1.911 1.00 60.44 H new ATOM 122 N VAL A 9 -6.788 -1.873 -1.272 1.00 42.32 N ATOM 123 CA VAL A 9 -5.786 -2.609 -2.009 1.00 3.04 C ATOM 124 C VAL A 9 -6.320 -2.918 -3.391 1.00 43.11 C ATOM 125 O VAL A 9 -7.241 -3.739 -3.554 1.00 44.05 O ATOM 126 CB VAL A 9 -5.377 -3.935 -1.282 1.00 14.31 C ATOM 127 CG1 VAL A 9 -4.259 -4.672 -2.031 1.00 13.51 C ATOM 128 CG2 VAL A 9 -4.955 -3.661 0.148 1.00 64.31 C ATOM 0 H VAL A 9 -7.128 -2.357 -0.441 1.00 42.32 H new ATOM 0 HA VAL A 9 -4.891 -1.991 -2.078 1.00 3.04 H new ATOM 0 HB VAL A 9 -6.256 -4.579 -1.271 1.00 14.31 H new ATOM 0 HG11 VAL A 9 -4.004 -5.586 -1.495 1.00 13.51 H new ATOM 0 HG12 VAL A 9 -4.598 -4.923 -3.036 1.00 13.51 H new ATOM 0 HG13 VAL A 9 -3.380 -4.031 -2.095 1.00 13.51 H new ATOM 0 HG21 VAL A 9 -4.676 -4.598 0.631 1.00 64.31 H new ATOM 0 HG22 VAL A 9 -4.102 -2.982 0.152 1.00 64.31 H new ATOM 0 HG23 VAL A 9 -5.783 -3.206 0.691 1.00 64.31 H new ATOM 138 N LYS A 10 -5.778 -2.217 -4.357 1.00 61.13 N ATOM 139 CA LYS A 10 -6.148 -2.360 -5.747 1.00 1.53 C ATOM 140 C LYS A 10 -5.799 -3.750 -6.232 1.00 22.32 C ATOM 141 O LYS A 10 -6.638 -4.458 -6.772 1.00 53.42 O ATOM 142 CB LYS A 10 -5.442 -1.284 -6.570 1.00 13.44 C ATOM 143 CG LYS A 10 -5.654 -1.370 -8.055 1.00 65.54 C ATOM 144 CD LYS A 10 -5.061 -0.163 -8.750 1.00 3.43 C ATOM 145 CE LYS A 10 -5.866 1.070 -8.428 1.00 23.11 C ATOM 146 NZ LYS A 10 -5.480 2.250 -9.224 1.00 64.00 N ATOM 0 H LYS A 10 -5.053 -1.517 -4.198 1.00 61.13 H new ATOM 0 HA LYS A 10 -7.224 -2.229 -5.863 1.00 1.53 H new ATOM 0 HB2 LYS A 10 -5.781 -0.307 -6.227 1.00 13.44 H new ATOM 0 HB3 LYS A 10 -4.372 -1.339 -6.368 1.00 13.44 H new ATOM 0 HG2 LYS A 10 -5.195 -2.280 -8.441 1.00 65.54 H new ATOM 0 HG3 LYS A 10 -6.720 -1.434 -8.272 1.00 65.54 H new ATOM 0 HD2 LYS A 10 -4.027 -0.024 -8.434 1.00 3.43 H new ATOM 0 HD3 LYS A 10 -5.046 -0.325 -9.828 1.00 3.43 H new ATOM 0 HE2 LYS A 10 -6.922 0.859 -8.595 1.00 23.11 H new ATOM 0 HE3 LYS A 10 -5.751 1.303 -7.369 1.00 23.11 H new ATOM 0 HZ1 LYS A 10 -6.193 2.997 -9.105 1.00 64.00 H new ATOM 0 HZ2 LYS A 10 -4.555 2.599 -8.901 1.00 64.00 H new ATOM 0 HZ3 LYS A 10 -5.419 1.986 -10.228 1.00 64.00 H new ATOM 160 N TRP A 11 -4.571 -4.128 -6.031 1.00 13.20 N ATOM 161 CA TRP A 11 -4.116 -5.461 -6.326 1.00 11.12 C ATOM 162 C TRP A 11 -2.864 -5.715 -5.580 1.00 61.41 C ATOM 163 O TRP A 11 -2.193 -4.772 -5.155 1.00 60.54 O ATOM 164 CB TRP A 11 -3.913 -5.755 -7.842 1.00 3.54 C ATOM 165 CG TRP A 11 -2.835 -4.969 -8.541 1.00 33.32 C ATOM 166 CD1 TRP A 11 -2.955 -3.770 -9.172 1.00 4.43 C ATOM 167 CD2 TRP A 11 -1.474 -5.366 -8.704 1.00 5.34 C ATOM 168 NE1 TRP A 11 -1.748 -3.390 -9.691 1.00 51.52 N ATOM 169 CE2 TRP A 11 -0.822 -4.356 -9.419 1.00 64.30 C ATOM 170 CE3 TRP A 11 -0.753 -6.477 -8.300 1.00 21.03 C ATOM 171 CZ2 TRP A 11 0.527 -4.426 -9.742 1.00 22.54 C ATOM 172 CZ3 TRP A 11 0.587 -6.553 -8.621 1.00 70.30 C ATOM 173 CH2 TRP A 11 1.215 -5.531 -9.334 1.00 13.51 C ATOM 0 H TRP A 11 -3.847 -3.516 -5.654 1.00 13.20 H new ATOM 0 HA TRP A 11 -4.908 -6.140 -6.009 1.00 11.12 H new ATOM 0 HB2 TRP A 11 -3.690 -6.816 -7.957 1.00 3.54 H new ATOM 0 HB3 TRP A 11 -4.857 -5.570 -8.355 1.00 3.54 H new ATOM 0 HD1 TRP A 11 -3.870 -3.201 -9.252 1.00 4.43 H new ATOM 0 HE1 TRP A 11 -1.568 -2.524 -10.199 1.00 51.52 H new ATOM 0 HE3 TRP A 11 -1.231 -7.270 -7.744 1.00 21.03 H new ATOM 0 HZ2 TRP A 11 1.013 -3.636 -10.295 1.00 22.54 H new ATOM 0 HZ3 TRP A 11 1.159 -7.417 -8.316 1.00 70.30 H new ATOM 0 HH2 TRP A 11 2.266 -5.617 -9.567 1.00 13.51 H new ATOM 184 N TYR A 12 -2.552 -6.954 -5.416 1.00 14.51 N ATOM 185 CA TYR A 12 -1.350 -7.355 -4.745 1.00 30.23 C ATOM 186 C TYR A 12 -0.985 -8.748 -5.172 1.00 21.41 C ATOM 187 O TYR A 12 -1.807 -9.674 -5.090 1.00 73.10 O ATOM 188 CB TYR A 12 -1.490 -7.281 -3.212 1.00 14.41 C ATOM 189 CG TYR A 12 -0.218 -7.658 -2.473 1.00 11.44 C ATOM 190 CD1 TYR A 12 0.837 -6.763 -2.380 1.00 4.30 C ATOM 191 CD2 TYR A 12 -0.069 -8.905 -1.879 1.00 50.35 C ATOM 192 CE1 TYR A 12 2.003 -7.095 -1.722 1.00 2.33 C ATOM 193 CE2 TYR A 12 1.094 -9.245 -1.216 1.00 11.03 C ATOM 194 CZ TYR A 12 2.127 -8.336 -1.141 1.00 51.43 C ATOM 195 OH TYR A 12 3.293 -8.671 -0.487 1.00 73.10 O ATOM 0 H TYR A 12 -3.126 -7.730 -5.745 1.00 14.51 H new ATOM 0 HA TYR A 12 -0.557 -6.662 -5.025 1.00 30.23 H new ATOM 0 HB2 TYR A 12 -1.780 -6.269 -2.929 1.00 14.41 H new ATOM 0 HB3 TYR A 12 -2.296 -7.943 -2.895 1.00 14.41 H new ATOM 0 HD1 TYR A 12 0.744 -5.786 -2.832 1.00 4.30 H new ATOM 0 HD2 TYR A 12 -0.876 -9.620 -1.937 1.00 50.35 H new ATOM 0 HE1 TYR A 12 2.814 -6.385 -1.663 1.00 2.33 H new ATOM 0 HE2 TYR A 12 1.193 -10.218 -0.759 1.00 11.03 H new ATOM 0 HH TYR A 12 3.664 -9.489 -0.879 1.00 73.10 H new ATOM 205 N ASN A 13 0.205 -8.892 -5.643 1.00 2.10 N ATOM 206 CA ASN A 13 0.724 -10.166 -6.045 1.00 61.34 C ATOM 207 C ASN A 13 1.597 -10.668 -4.924 1.00 34.31 C ATOM 208 O ASN A 13 2.605 -10.050 -4.609 1.00 2.34 O ATOM 209 CB ASN A 13 1.545 -10.018 -7.327 1.00 24.14 C ATOM 210 CG ASN A 13 2.042 -11.343 -7.855 1.00 20.22 C ATOM 211 OD1 ASN A 13 3.122 -11.788 -7.507 1.00 33.12 O ATOM 212 ND2 ASN A 13 1.263 -11.973 -8.693 1.00 1.13 N ATOM 0 H ASN A 13 0.860 -8.120 -5.764 1.00 2.10 H new ATOM 0 HA ASN A 13 -0.086 -10.867 -6.245 1.00 61.34 H new ATOM 0 HB2 ASN A 13 0.936 -9.532 -8.090 1.00 24.14 H new ATOM 0 HB3 ASN A 13 2.396 -9.365 -7.135 1.00 24.14 H new ATOM 0 HD21 ASN A 13 1.552 -12.871 -9.081 1.00 1.13 H new ATOM 0 HD22 ASN A 13 0.366 -11.567 -8.959 1.00 1.13 H new ATOM 219 N SER A 14 1.215 -11.758 -4.321 1.00 42.13 N ATOM 220 CA SER A 14 1.908 -12.276 -3.161 1.00 43.31 C ATOM 221 C SER A 14 3.255 -12.891 -3.548 1.00 51.55 C ATOM 222 O SER A 14 4.185 -12.933 -2.737 1.00 50.52 O ATOM 223 CB SER A 14 1.018 -13.296 -2.442 1.00 54.33 C ATOM 224 OG SER A 14 1.606 -13.757 -1.237 1.00 10.44 O ATOM 0 H SER A 14 0.415 -12.318 -4.615 1.00 42.13 H new ATOM 0 HA SER A 14 2.117 -11.451 -2.480 1.00 43.31 H new ATOM 0 HB2 SER A 14 0.051 -12.843 -2.224 1.00 54.33 H new ATOM 0 HB3 SER A 14 0.831 -14.143 -3.102 1.00 54.33 H new ATOM 0 HG SER A 14 1.008 -14.404 -0.808 1.00 10.44 H new ATOM 230 N THR A 15 3.364 -13.344 -4.780 1.00 11.32 N ATOM 231 CA THR A 15 4.581 -13.954 -5.254 1.00 44.33 C ATOM 232 C THR A 15 5.703 -12.901 -5.360 1.00 0.11 C ATOM 233 O THR A 15 6.767 -13.043 -4.759 1.00 34.23 O ATOM 234 CB THR A 15 4.343 -14.583 -6.634 1.00 64.00 C ATOM 235 OG1 THR A 15 3.168 -15.409 -6.578 1.00 33.52 O ATOM 236 CG2 THR A 15 5.533 -15.437 -7.063 1.00 41.41 C ATOM 0 H THR A 15 2.617 -13.299 -5.473 1.00 11.32 H new ATOM 0 HA THR A 15 4.882 -14.726 -4.546 1.00 44.33 H new ATOM 0 HB THR A 15 4.213 -13.781 -7.361 1.00 64.00 H new ATOM 0 HG1 THR A 15 3.009 -15.812 -7.457 1.00 33.52 H new ATOM 0 HG21 THR A 15 5.336 -15.869 -8.044 1.00 41.41 H new ATOM 0 HG22 THR A 15 6.427 -14.816 -7.114 1.00 41.41 H new ATOM 0 HG23 THR A 15 5.687 -16.237 -6.338 1.00 41.41 H new ATOM 244 N LYS A 16 5.435 -11.837 -6.100 1.00 22.24 N ATOM 245 CA LYS A 16 6.426 -10.805 -6.343 1.00 51.31 C ATOM 246 C LYS A 16 6.381 -9.715 -5.273 1.00 23.33 C ATOM 247 O LYS A 16 7.252 -8.850 -5.234 1.00 70.25 O ATOM 248 CB LYS A 16 6.185 -10.179 -7.715 1.00 72.11 C ATOM 249 CG LYS A 16 6.197 -11.165 -8.857 1.00 4.40 C ATOM 250 CD LYS A 16 5.982 -10.464 -10.186 1.00 31.14 C ATOM 251 CE LYS A 16 7.080 -9.447 -10.494 1.00 13.13 C ATOM 252 NZ LYS A 16 8.409 -10.078 -10.582 1.00 75.42 N ATOM 0 H LYS A 16 4.533 -11.666 -6.545 1.00 22.24 H new ATOM 0 HA LYS A 16 7.411 -11.271 -6.308 1.00 51.31 H new ATOM 0 HB2 LYS A 16 5.224 -9.666 -7.704 1.00 72.11 H new ATOM 0 HB3 LYS A 16 6.948 -9.422 -7.895 1.00 72.11 H new ATOM 0 HG2 LYS A 16 7.148 -11.697 -8.872 1.00 4.40 H new ATOM 0 HG3 LYS A 16 5.417 -11.911 -8.706 1.00 4.40 H new ATOM 0 HD2 LYS A 16 5.945 -11.206 -10.983 1.00 31.14 H new ATOM 0 HD3 LYS A 16 5.016 -9.959 -10.175 1.00 31.14 H new ATOM 0 HE2 LYS A 16 6.855 -8.944 -11.434 1.00 13.13 H new ATOM 0 HE3 LYS A 16 7.093 -8.681 -9.718 1.00 13.13 H new ATOM 0 HZ1 LYS A 16 9.099 -9.387 -10.940 1.00 75.42 H new ATOM 0 HZ2 LYS A 16 8.702 -10.403 -9.639 1.00 75.42 H new ATOM 0 HZ3 LYS A 16 8.365 -10.891 -11.230 1.00 75.42 H new ATOM 266 N ASN A 17 5.363 -9.770 -4.410 1.00 71.14 N ATOM 267 CA ASN A 17 5.194 -8.818 -3.287 1.00 61.13 C ATOM 268 C ASN A 17 4.962 -7.377 -3.748 1.00 62.01 C ATOM 269 O ASN A 17 5.231 -6.429 -3.006 1.00 45.34 O ATOM 270 CB ASN A 17 6.381 -8.899 -2.314 1.00 60.55 C ATOM 271 CG ASN A 17 6.431 -10.194 -1.527 1.00 72.01 C ATOM 272 OD1 ASN A 17 5.288 -10.695 -1.130 1.00 52.21 O flip ATOM 273 ND2 ASN A 17 7.513 -10.709 -1.224 1.00 11.12 N flip ATOM 0 H ASN A 17 4.627 -10.474 -4.463 1.00 71.14 H new ATOM 0 HA ASN A 17 4.288 -9.122 -2.762 1.00 61.13 H new ATOM 0 HB2 ASN A 17 7.309 -8.788 -2.875 1.00 60.55 H new ATOM 0 HB3 ASN A 17 6.328 -8.062 -1.618 1.00 60.55 H new ATOM 0 HD21 ASN A 17 8.385 -10.293 -1.550 1.00 11.12 H new ATOM 0 HD22 ASN A 17 7.534 -11.550 -0.648 1.00 11.12 H new ATOM 280 N PHE A 18 4.423 -7.210 -4.938 1.00 41.22 N ATOM 281 CA PHE A 18 4.116 -5.881 -5.450 1.00 32.45 C ATOM 282 C PHE A 18 2.620 -5.725 -5.611 1.00 2.22 C ATOM 283 O PHE A 18 1.894 -6.724 -5.711 1.00 4.41 O ATOM 284 CB PHE A 18 4.795 -5.601 -6.801 1.00 72.31 C ATOM 285 CG PHE A 18 6.293 -5.607 -6.776 1.00 35.24 C ATOM 286 CD1 PHE A 18 6.993 -4.607 -6.125 1.00 70.33 C ATOM 287 CD2 PHE A 18 7.003 -6.598 -7.426 1.00 42.21 C ATOM 288 CE1 PHE A 18 8.372 -4.601 -6.120 1.00 52.03 C ATOM 289 CE2 PHE A 18 8.383 -6.601 -7.421 1.00 54.11 C ATOM 290 CZ PHE A 18 9.068 -5.602 -6.768 1.00 31.45 C ATOM 0 H PHE A 18 4.187 -7.974 -5.572 1.00 41.22 H new ATOM 0 HA PHE A 18 4.501 -5.164 -4.725 1.00 32.45 H new ATOM 0 HB2 PHE A 18 4.457 -6.346 -7.521 1.00 72.31 H new ATOM 0 HB3 PHE A 18 4.458 -4.630 -7.165 1.00 72.31 H new ATOM 0 HD1 PHE A 18 6.454 -3.822 -5.615 1.00 70.33 H new ATOM 0 HD2 PHE A 18 6.471 -7.381 -7.945 1.00 42.21 H new ATOM 0 HE1 PHE A 18 8.907 -3.814 -5.610 1.00 52.03 H new ATOM 0 HE2 PHE A 18 8.924 -7.386 -7.929 1.00 54.11 H new ATOM 0 HZ PHE A 18 10.148 -5.601 -6.762 1.00 31.45 H new ATOM 300 N GLY A 19 2.158 -4.498 -5.626 1.00 44.31 N ATOM 301 CA GLY A 19 0.767 -4.232 -5.840 1.00 54.01 C ATOM 302 C GLY A 19 0.488 -2.759 -5.814 1.00 21.23 C ATOM 303 O GLY A 19 1.413 -1.967 -5.715 1.00 33.04 O ATOM 0 H GLY A 19 2.734 -3.667 -5.491 1.00 44.31 H new ATOM 0 HA2 GLY A 19 0.458 -4.647 -6.799 1.00 54.01 H new ATOM 0 HA3 GLY A 19 0.176 -4.731 -5.072 1.00 54.01 H new ATOM 307 N PHE A 20 -0.766 -2.396 -5.880 1.00 23.12 N ATOM 308 CA PHE A 20 -1.195 -1.003 -5.844 1.00 42.55 C ATOM 309 C PHE A 20 -2.350 -0.818 -4.910 1.00 65.33 C ATOM 310 O PHE A 20 -3.045 -1.775 -4.582 1.00 2.21 O ATOM 311 CB PHE A 20 -1.555 -0.453 -7.230 1.00 0.15 C ATOM 312 CG PHE A 20 -0.378 -0.051 -8.080 1.00 43.10 C ATOM 313 CD1 PHE A 20 0.305 -0.974 -8.842 1.00 65.12 C ATOM 314 CD2 PHE A 20 0.039 1.272 -8.109 1.00 12.30 C ATOM 315 CE1 PHE A 20 1.380 -0.594 -9.619 1.00 53.23 C ATOM 316 CE2 PHE A 20 1.112 1.660 -8.883 1.00 60.24 C ATOM 317 CZ PHE A 20 1.785 0.723 -9.639 1.00 13.21 C ATOM 0 H PHE A 20 -1.536 -3.060 -5.961 1.00 23.12 H new ATOM 0 HA PHE A 20 -0.340 -0.435 -5.479 1.00 42.55 H new ATOM 0 HB2 PHE A 20 -2.130 -1.208 -7.766 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -2.205 0.413 -7.103 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -0.005 -2.008 -8.831 1.00 65.12 H new ATOM 0 HD2 PHE A 20 -0.484 2.008 -7.517 1.00 12.30 H new ATOM 0 HE1 PHE A 20 1.904 -1.329 -10.212 1.00 53.23 H new ATOM 0 HE2 PHE A 20 1.424 2.694 -8.897 1.00 60.24 H new ATOM 0 HZ PHE A 20 2.628 1.021 -10.245 1.00 13.21 H new ATOM 327 N ILE A 21 -2.551 0.409 -4.486 1.00 3.24 N ATOM 328 CA ILE A 21 -3.613 0.770 -3.562 1.00 50.52 C ATOM 329 C ILE A 21 -4.178 2.151 -3.947 1.00 43.20 C ATOM 330 O ILE A 21 -3.415 3.051 -4.294 1.00 71.11 O ATOM 331 CB ILE A 21 -3.058 0.871 -2.097 1.00 43.54 C ATOM 332 CG1 ILE A 21 -2.359 -0.432 -1.668 1.00 31.04 C ATOM 333 CG2 ILE A 21 -4.178 1.208 -1.126 1.00 15.44 C ATOM 334 CD1 ILE A 21 -1.718 -0.370 -0.295 1.00 73.02 C ATOM 0 H ILE A 21 -1.975 1.199 -4.775 1.00 3.24 H new ATOM 0 HA ILE A 21 -4.386 0.003 -3.613 1.00 50.52 H new ATOM 0 HB ILE A 21 -2.319 1.672 -2.079 1.00 43.54 H new ATOM 0 HG12 ILE A 21 -3.087 -1.243 -1.680 1.00 31.04 H new ATOM 0 HG13 ILE A 21 -1.593 -0.680 -2.403 1.00 31.04 H new ATOM 0 HG21 ILE A 21 -3.776 1.274 -0.115 1.00 15.44 H new ATOM 0 HG22 ILE A 21 -4.624 2.163 -1.402 1.00 15.44 H new ATOM 0 HG23 ILE A 21 -4.939 0.428 -1.163 1.00 15.44 H new ATOM 0 HD11 ILE A 21 -1.248 -1.327 -0.069 1.00 73.02 H new ATOM 0 HD12 ILE A 21 -0.964 0.417 -0.281 1.00 73.02 H new ATOM 0 HD13 ILE A 21 -2.481 -0.155 0.453 1.00 73.02 H new ATOM 346 N GLU A 22 -5.500 2.293 -3.945 1.00 65.54 N ATOM 347 CA GLU A 22 -6.139 3.599 -4.102 1.00 11.24 C ATOM 348 C GLU A 22 -7.363 3.601 -3.229 1.00 42.22 C ATOM 349 O GLU A 22 -7.916 2.537 -2.958 1.00 32.24 O ATOM 350 CB GLU A 22 -6.572 3.921 -5.548 1.00 41.31 C ATOM 351 CG GLU A 22 -7.722 3.071 -6.083 1.00 12.00 C ATOM 352 CD GLU A 22 -8.295 3.640 -7.366 1.00 11.30 C ATOM 353 OE1 GLU A 22 -9.155 4.538 -7.293 1.00 50.33 O ATOM 354 OE2 GLU A 22 -7.891 3.223 -8.461 1.00 62.21 O ATOM 0 H GLU A 22 -6.153 1.517 -3.836 1.00 65.54 H new ATOM 0 HA GLU A 22 -5.408 4.358 -3.825 1.00 11.24 H new ATOM 0 HB2 GLU A 22 -6.862 4.971 -5.599 1.00 41.31 H new ATOM 0 HB3 GLU A 22 -5.711 3.796 -6.205 1.00 41.31 H new ATOM 0 HG2 GLU A 22 -7.370 2.055 -6.262 1.00 12.00 H new ATOM 0 HG3 GLU A 22 -8.508 3.008 -5.330 1.00 12.00 H new ATOM 361 N GLN A 23 -7.800 4.740 -2.775 1.00 21.42 N ATOM 362 CA GLN A 23 -9.016 4.748 -2.001 1.00 33.24 C ATOM 363 C GLN A 23 -10.193 4.807 -2.925 1.00 52.23 C ATOM 364 O GLN A 23 -10.087 5.324 -4.051 1.00 63.01 O ATOM 365 CB GLN A 23 -9.073 5.872 -0.978 1.00 63.45 C ATOM 366 CG GLN A 23 -9.173 7.252 -1.553 1.00 30.13 C ATOM 367 CD GLN A 23 -9.246 8.295 -0.487 1.00 52.10 C ATOM 368 OE1 GLN A 23 -10.329 8.666 -0.044 1.00 11.13 O ATOM 369 NE2 GLN A 23 -8.112 8.749 -0.050 1.00 61.43 N ATOM 0 H GLN A 23 -7.355 5.647 -2.917 1.00 21.42 H new ATOM 0 HA GLN A 23 -9.040 3.823 -1.425 1.00 33.24 H new ATOM 0 HB2 GLN A 23 -9.930 5.705 -0.325 1.00 63.45 H new ATOM 0 HB3 GLN A 23 -8.181 5.819 -0.354 1.00 63.45 H new ATOM 0 HG2 GLN A 23 -8.309 7.443 -2.190 1.00 30.13 H new ATOM 0 HG3 GLN A 23 -10.057 7.318 -2.187 1.00 30.13 H new ATOM 0 HE21 GLN A 23 -7.238 8.409 -0.451 1.00 61.43 H new ATOM 0 HE22 GLN A 23 -8.095 9.446 0.695 1.00 61.43 H new ATOM 378 N ASP A 24 -11.302 4.317 -2.446 1.00 50.33 N ATOM 379 CA ASP A 24 -12.540 4.230 -3.210 1.00 21.32 C ATOM 380 C ASP A 24 -13.036 5.573 -3.690 1.00 43.05 C ATOM 381 O ASP A 24 -13.785 5.651 -4.665 1.00 34.32 O ATOM 382 CB ASP A 24 -13.623 3.546 -2.408 1.00 43.12 C ATOM 383 CG ASP A 24 -13.294 2.131 -2.076 1.00 62.44 C ATOM 384 OD1 ASP A 24 -13.432 1.244 -2.958 1.00 1.03 O ATOM 385 OD2 ASP A 24 -12.901 1.870 -0.931 1.00 62.34 O ATOM 0 H ASP A 24 -11.384 3.956 -1.495 1.00 50.33 H new ATOM 0 HA ASP A 24 -12.306 3.635 -4.093 1.00 21.32 H new ATOM 0 HB2 ASP A 24 -13.790 4.101 -1.485 1.00 43.12 H new ATOM 0 HB3 ASP A 24 -14.557 3.574 -2.970 1.00 43.12 H new ATOM 390 N ASN A 25 -12.620 6.632 -3.034 1.00 32.23 N ATOM 391 CA ASN A 25 -13.032 7.970 -3.440 1.00 40.45 C ATOM 392 C ASN A 25 -12.254 8.456 -4.653 1.00 72.24 C ATOM 393 O ASN A 25 -12.521 9.527 -5.171 1.00 34.43 O ATOM 394 CB ASN A 25 -12.926 8.992 -2.286 1.00 14.31 C ATOM 395 CG ASN A 25 -13.907 8.724 -1.159 1.00 42.52 C ATOM 396 OD1 ASN A 25 -15.048 9.203 -1.187 1.00 32.42 O ATOM 397 ND2 ASN A 25 -13.482 7.997 -0.156 1.00 14.34 N ATOM 0 H ASN A 25 -12.002 6.602 -2.223 1.00 32.23 H new ATOM 0 HA ASN A 25 -14.083 7.893 -3.718 1.00 40.45 H new ATOM 0 HB2 ASN A 25 -11.912 8.977 -1.888 1.00 14.31 H new ATOM 0 HB3 ASN A 25 -13.099 9.994 -2.679 1.00 14.31 H new ATOM 0 HD21 ASN A 25 -14.098 7.810 0.635 1.00 14.34 H new ATOM 0 HD22 ASN A 25 -12.535 7.618 -0.166 1.00 14.34 H new ATOM 404 N GLY A 26 -11.310 7.662 -5.115 1.00 34.40 N ATOM 405 CA GLY A 26 -10.511 8.071 -6.239 1.00 61.20 C ATOM 406 C GLY A 26 -9.187 8.580 -5.774 1.00 1.11 C ATOM 407 O GLY A 26 -8.774 9.693 -6.120 1.00 24.50 O ATOM 0 H GLY A 26 -11.083 6.744 -4.733 1.00 34.40 H new ATOM 0 HA2 GLY A 26 -10.367 7.230 -6.917 1.00 61.20 H new ATOM 0 HA3 GLY A 26 -11.031 8.848 -6.800 1.00 61.20 H new ATOM 411 N GLY A 27 -8.530 7.790 -4.955 1.00 71.33 N ATOM 412 CA GLY A 27 -7.260 8.197 -4.414 1.00 43.34 C ATOM 413 C GLY A 27 -6.149 8.055 -5.412 1.00 65.23 C ATOM 414 O GLY A 27 -6.305 7.376 -6.434 1.00 11.32 O ATOM 0 H GLY A 27 -8.853 6.871 -4.653 1.00 71.33 H new ATOM 0 HA2 GLY A 27 -7.322 9.235 -4.087 1.00 43.34 H new ATOM 0 HA3 GLY A 27 -7.033 7.598 -3.532 1.00 43.34 H new ATOM 418 N LYS A 28 -5.047 8.685 -5.122 1.00 1.43 N ATOM 419 CA LYS A 28 -3.898 8.655 -5.983 1.00 0.22 C ATOM 420 C LYS A 28 -3.244 7.288 -6.002 1.00 21.01 C ATOM 421 O LYS A 28 -3.385 6.504 -5.055 1.00 41.04 O ATOM 422 CB LYS A 28 -2.918 9.721 -5.573 1.00 22.33 C ATOM 423 CG LYS A 28 -2.476 9.642 -4.147 1.00 74.33 C ATOM 424 CD LYS A 28 -1.620 10.809 -3.843 1.00 22.32 C ATOM 425 CE LYS A 28 -1.206 10.826 -2.387 1.00 64.20 C ATOM 426 NZ LYS A 28 -0.378 12.002 -2.057 1.00 45.14 N ATOM 0 H LYS A 28 -4.919 9.239 -4.275 1.00 1.43 H new ATOM 0 HA LYS A 28 -4.232 8.859 -7.000 1.00 0.22 H new ATOM 0 HB2 LYS A 28 -2.040 9.657 -6.216 1.00 22.33 H new ATOM 0 HB3 LYS A 28 -3.369 10.698 -5.747 1.00 22.33 H new ATOM 0 HG2 LYS A 28 -3.342 9.627 -3.485 1.00 74.33 H new ATOM 0 HG3 LYS A 28 -1.927 8.717 -3.974 1.00 74.33 H new ATOM 0 HD2 LYS A 28 -0.732 10.785 -4.475 1.00 22.32 H new ATOM 0 HD3 LYS A 28 -2.156 11.728 -4.081 1.00 22.32 H new ATOM 0 HE2 LYS A 28 -2.096 10.822 -1.758 1.00 64.20 H new ATOM 0 HE3 LYS A 28 -0.650 9.917 -2.158 1.00 64.20 H new ATOM 0 HZ1 LYS A 28 -0.118 11.972 -1.050 1.00 45.14 H new ATOM 0 HZ2 LYS A 28 0.485 11.993 -2.638 1.00 45.14 H new ATOM 0 HZ3 LYS A 28 -0.916 12.871 -2.250 1.00 45.14 H new ATOM 440 N ASP A 29 -2.535 7.001 -7.071 1.00 13.44 N ATOM 441 CA ASP A 29 -1.892 5.719 -7.224 1.00 41.14 C ATOM 442 C ASP A 29 -0.580 5.668 -6.492 1.00 14.14 C ATOM 443 O ASP A 29 0.337 6.480 -6.728 1.00 75.21 O ATOM 444 CB ASP A 29 -1.684 5.326 -8.699 1.00 64.41 C ATOM 445 CG ASP A 29 -2.962 5.044 -9.460 1.00 42.03 C ATOM 446 OD1 ASP A 29 -3.413 3.865 -9.479 1.00 72.34 O ATOM 447 OD2 ASP A 29 -3.522 5.978 -10.090 1.00 5.42 O ATOM 0 H ASP A 29 -2.390 7.643 -7.850 1.00 13.44 H new ATOM 0 HA ASP A 29 -2.573 4.992 -6.782 1.00 41.14 H new ATOM 0 HB2 ASP A 29 -1.145 6.128 -9.203 1.00 64.41 H new ATOM 0 HB3 ASP A 29 -1.049 4.441 -8.740 1.00 64.41 H new ATOM 452 N VAL A 30 -0.505 4.749 -5.596 1.00 31.22 N ATOM 453 CA VAL A 30 0.681 4.455 -4.863 1.00 2.01 C ATOM 454 C VAL A 30 0.837 2.951 -4.814 1.00 23.32 C ATOM 455 O VAL A 30 -0.150 2.222 -4.613 1.00 32.41 O ATOM 456 CB VAL A 30 0.664 5.096 -3.427 1.00 4.44 C ATOM 457 CG1 VAL A 30 -0.615 4.794 -2.682 1.00 63.50 C ATOM 458 CG2 VAL A 30 1.821 4.603 -2.604 1.00 55.50 C ATOM 0 H VAL A 30 -1.296 4.157 -5.342 1.00 31.22 H new ATOM 0 HA VAL A 30 1.542 4.897 -5.364 1.00 2.01 H new ATOM 0 HB VAL A 30 0.740 6.173 -3.574 1.00 4.44 H new ATOM 0 HG11 VAL A 30 -0.580 5.257 -1.696 1.00 63.50 H new ATOM 0 HG12 VAL A 30 -1.463 5.191 -3.240 1.00 63.50 H new ATOM 0 HG13 VAL A 30 -0.726 3.715 -2.572 1.00 63.50 H new ATOM 0 HG21 VAL A 30 1.786 5.061 -1.616 1.00 55.50 H new ATOM 0 HG22 VAL A 30 1.761 3.519 -2.504 1.00 55.50 H new ATOM 0 HG23 VAL A 30 2.757 4.870 -3.095 1.00 55.50 H new ATOM 468 N PHE A 31 2.034 2.467 -5.053 1.00 22.11 N ATOM 469 CA PHE A 31 2.233 1.051 -5.049 1.00 23.02 C ATOM 470 C PHE A 31 2.601 0.569 -3.681 1.00 32.13 C ATOM 471 O PHE A 31 3.192 1.298 -2.891 1.00 2.20 O ATOM 472 CB PHE A 31 3.235 0.567 -6.121 1.00 2.10 C ATOM 473 CG PHE A 31 4.646 1.074 -6.024 1.00 14.41 C ATOM 474 CD1 PHE A 31 5.589 0.399 -5.263 1.00 31.52 C ATOM 475 CD2 PHE A 31 5.035 2.202 -6.715 1.00 1.34 C ATOM 476 CE1 PHE A 31 6.890 0.845 -5.192 1.00 24.41 C ATOM 477 CE2 PHE A 31 6.332 2.658 -6.646 1.00 70.30 C ATOM 478 CZ PHE A 31 7.264 1.977 -5.884 1.00 53.12 C ATOM 0 H PHE A 31 2.864 3.026 -5.248 1.00 22.11 H new ATOM 0 HA PHE A 31 1.278 0.602 -5.324 1.00 23.02 H new ATOM 0 HB2 PHE A 31 3.265 -0.522 -6.088 1.00 2.10 H new ATOM 0 HB3 PHE A 31 2.843 0.845 -7.099 1.00 2.10 H new ATOM 0 HD1 PHE A 31 5.299 -0.488 -4.719 1.00 31.52 H new ATOM 0 HD2 PHE A 31 4.314 2.734 -7.317 1.00 1.34 H new ATOM 0 HE1 PHE A 31 7.615 0.310 -4.596 1.00 24.41 H new ATOM 0 HE2 PHE A 31 6.622 3.547 -7.187 1.00 70.30 H new ATOM 0 HZ PHE A 31 8.283 2.331 -5.831 1.00 53.12 H new ATOM 488 N VAL A 32 2.244 -0.629 -3.388 1.00 53.32 N ATOM 489 CA VAL A 32 2.556 -1.190 -2.123 1.00 52.44 C ATOM 490 C VAL A 32 3.838 -1.998 -2.226 1.00 50.12 C ATOM 491 O VAL A 32 3.991 -2.857 -3.103 1.00 23.35 O ATOM 492 CB VAL A 32 1.377 -2.019 -1.518 1.00 55.53 C ATOM 493 CG1 VAL A 32 0.957 -3.161 -2.425 1.00 23.32 C ATOM 494 CG2 VAL A 32 1.730 -2.539 -0.138 1.00 2.43 C ATOM 0 H VAL A 32 1.729 -1.247 -4.015 1.00 53.32 H new ATOM 0 HA VAL A 32 2.716 -0.372 -1.421 1.00 52.44 H new ATOM 0 HB VAL A 32 0.527 -1.343 -1.429 1.00 55.53 H new ATOM 0 HG11 VAL A 32 0.135 -3.709 -1.964 1.00 23.32 H new ATOM 0 HG12 VAL A 32 0.633 -2.762 -3.386 1.00 23.32 H new ATOM 0 HG13 VAL A 32 1.801 -3.834 -2.578 1.00 23.32 H new ATOM 0 HG21 VAL A 32 0.893 -3.112 0.260 1.00 2.43 H new ATOM 0 HG22 VAL A 32 2.609 -3.180 -0.205 1.00 2.43 H new ATOM 0 HG23 VAL A 32 1.942 -1.699 0.524 1.00 2.43 H new ATOM 504 N HIS A 33 4.764 -1.686 -1.369 1.00 33.01 N ATOM 505 CA HIS A 33 6.035 -2.338 -1.359 1.00 3.43 C ATOM 506 C HIS A 33 6.161 -3.147 -0.070 1.00 24.02 C ATOM 507 O HIS A 33 5.634 -2.741 0.963 1.00 65.41 O ATOM 508 CB HIS A 33 7.142 -1.290 -1.494 1.00 63.23 C ATOM 509 CG HIS A 33 8.479 -1.887 -1.590 1.00 62.25 C ATOM 510 ND1 HIS A 33 8.824 -2.752 -2.577 1.00 5.21 N ATOM 511 CD2 HIS A 33 9.528 -1.813 -0.777 1.00 30.32 C ATOM 512 CE1 HIS A 33 10.021 -3.192 -2.357 1.00 71.45 C ATOM 513 NE2 HIS A 33 10.477 -2.635 -1.272 1.00 31.11 N ATOM 0 H HIS A 33 4.656 -0.967 -0.654 1.00 33.01 H new ATOM 0 HA HIS A 33 6.129 -3.025 -2.200 1.00 3.43 H new ATOM 0 HB2 HIS A 33 6.955 -0.683 -2.380 1.00 63.23 H new ATOM 0 HB3 HIS A 33 7.109 -0.620 -0.635 1.00 63.23 H new ATOM 0 HD2 HIS A 33 9.606 -1.208 0.114 1.00 30.32 H new ATOM 0 HE1 HIS A 33 10.553 -3.903 -2.971 1.00 71.45 H new ATOM 0 HE2 HIS A 33 11.398 -2.794 -0.864 1.00 31.11 H new ATOM 522 N LYS A 34 6.873 -4.272 -0.117 1.00 44.31 N ATOM 523 CA LYS A 34 6.923 -5.182 1.024 1.00 52.14 C ATOM 524 C LYS A 34 7.587 -4.584 2.252 1.00 3.51 C ATOM 525 O LYS A 34 7.330 -5.027 3.362 1.00 41.14 O ATOM 526 CB LYS A 34 7.483 -6.562 0.677 1.00 72.02 C ATOM 527 CG LYS A 34 7.462 -7.513 1.867 1.00 64.42 C ATOM 528 CD LYS A 34 7.836 -8.899 1.500 1.00 71.34 C ATOM 529 CE LYS A 34 7.875 -9.786 2.724 1.00 4.23 C ATOM 530 NZ LYS A 34 8.263 -11.170 2.400 1.00 2.22 N ATOM 0 H LYS A 34 7.418 -4.572 -0.925 1.00 44.31 H new ATOM 0 HA LYS A 34 5.879 -5.337 1.295 1.00 52.14 H new ATOM 0 HB2 LYS A 34 6.902 -6.992 -0.139 1.00 72.02 H new ATOM 0 HB3 LYS A 34 8.507 -6.456 0.318 1.00 72.02 H new ATOM 0 HG2 LYS A 34 8.147 -7.147 2.631 1.00 64.42 H new ATOM 0 HG3 LYS A 34 6.465 -7.515 2.307 1.00 64.42 H new ATOM 0 HD2 LYS A 34 7.120 -9.296 0.781 1.00 71.34 H new ATOM 0 HD3 LYS A 34 8.811 -8.901 1.013 1.00 71.34 H new ATOM 0 HE2 LYS A 34 8.579 -9.373 3.447 1.00 4.23 H new ATOM 0 HE3 LYS A 34 6.894 -9.788 3.200 1.00 4.23 H new ATOM 0 HZ1 LYS A 34 8.276 -11.740 3.270 1.00 2.22 H new ATOM 0 HZ2 LYS A 34 7.578 -11.575 1.731 1.00 2.22 H new ATOM 0 HZ3 LYS A 34 9.210 -11.173 1.970 1.00 2.22 H new ATOM 544 N SER A 35 8.411 -3.567 2.071 1.00 1.11 N ATOM 545 CA SER A 35 8.984 -2.857 3.218 1.00 31.15 C ATOM 546 C SER A 35 7.879 -2.361 4.182 1.00 30.22 C ATOM 547 O SER A 35 8.122 -2.152 5.347 1.00 15.33 O ATOM 548 CB SER A 35 9.853 -1.708 2.752 1.00 33.03 C ATOM 549 OG SER A 35 10.892 -2.192 1.917 1.00 25.34 O ATOM 0 H SER A 35 8.699 -3.213 1.159 1.00 1.11 H new ATOM 0 HA SER A 35 9.610 -3.558 3.769 1.00 31.15 H new ATOM 0 HB2 SER A 35 9.248 -0.981 2.210 1.00 33.03 H new ATOM 0 HB3 SER A 35 10.278 -1.191 3.612 1.00 33.03 H new ATOM 0 HG SER A 35 11.448 -1.442 1.619 1.00 25.34 H new ATOM 555 N ALA A 36 6.655 -2.216 3.675 1.00 53.42 N ATOM 556 CA ALA A 36 5.532 -1.842 4.499 1.00 13.21 C ATOM 557 C ALA A 36 5.084 -3.007 5.363 1.00 52.13 C ATOM 558 O ALA A 36 4.776 -2.840 6.555 1.00 12.00 O ATOM 559 CB ALA A 36 4.405 -1.420 3.646 1.00 50.35 C ATOM 0 H ALA A 36 6.427 -2.355 2.691 1.00 53.42 H new ATOM 0 HA ALA A 36 5.843 -1.020 5.143 1.00 13.21 H new ATOM 0 HB1 ALA A 36 3.559 -1.139 4.273 1.00 50.35 H new ATOM 0 HB2 ALA A 36 4.707 -0.566 3.040 1.00 50.35 H new ATOM 0 HB3 ALA A 36 4.114 -2.243 2.993 1.00 50.35 H new ATOM 565 N VAL A 37 5.044 -4.192 4.753 1.00 42.12 N ATOM 566 CA VAL A 37 4.677 -5.404 5.459 1.00 14.41 C ATOM 567 C VAL A 37 5.805 -5.756 6.418 1.00 61.32 C ATOM 568 O VAL A 37 5.592 -6.318 7.457 1.00 62.51 O ATOM 569 CB VAL A 37 4.430 -6.612 4.500 1.00 44.33 C ATOM 570 CG1 VAL A 37 4.035 -7.852 5.312 1.00 30.31 C ATOM 571 CG2 VAL A 37 3.333 -6.272 3.498 1.00 25.31 C ATOM 0 H VAL A 37 5.264 -4.331 3.767 1.00 42.12 H new ATOM 0 HA VAL A 37 3.742 -5.215 5.986 1.00 14.41 H new ATOM 0 HB VAL A 37 5.350 -6.823 3.954 1.00 44.33 H new ATOM 0 HG11 VAL A 37 3.864 -8.690 4.636 1.00 30.31 H new ATOM 0 HG12 VAL A 37 4.837 -8.103 6.006 1.00 30.31 H new ATOM 0 HG13 VAL A 37 3.123 -7.645 5.871 1.00 30.31 H new ATOM 0 HG21 VAL A 37 3.170 -7.122 2.835 1.00 25.31 H new ATOM 0 HG22 VAL A 37 2.410 -6.046 4.032 1.00 25.31 H new ATOM 0 HG23 VAL A 37 3.634 -5.405 2.910 1.00 25.31 H new ATOM 581 N ASP A 38 6.999 -5.400 6.048 1.00 71.20 N ATOM 582 CA ASP A 38 8.152 -5.623 6.890 1.00 60.23 C ATOM 583 C ASP A 38 8.145 -4.641 8.056 1.00 21.13 C ATOM 584 O ASP A 38 8.497 -4.994 9.183 1.00 64.23 O ATOM 585 CB ASP A 38 9.449 -5.488 6.077 1.00 61.25 C ATOM 586 CG ASP A 38 10.700 -5.726 6.905 1.00 25.01 C ATOM 587 OD1 ASP A 38 11.123 -6.893 7.049 1.00 3.05 O ATOM 588 OD2 ASP A 38 11.293 -4.744 7.403 1.00 2.22 O ATOM 0 H ASP A 38 7.208 -4.948 5.158 1.00 71.20 H new ATOM 0 HA ASP A 38 8.104 -6.637 7.287 1.00 60.23 H new ATOM 0 HB2 ASP A 38 9.428 -6.198 5.250 1.00 61.25 H new ATOM 0 HB3 ASP A 38 9.494 -4.491 5.640 1.00 61.25 H new ATOM 593 N ALA A 39 7.691 -3.416 7.794 1.00 13.42 N ATOM 594 CA ALA A 39 7.682 -2.384 8.813 1.00 32.41 C ATOM 595 C ALA A 39 6.597 -2.610 9.860 1.00 12.24 C ATOM 596 O ALA A 39 6.874 -2.575 11.062 1.00 62.21 O ATOM 597 CB ALA A 39 7.539 -1.007 8.191 1.00 73.23 C ATOM 0 H ALA A 39 7.328 -3.121 6.888 1.00 13.42 H new ATOM 0 HA ALA A 39 8.643 -2.441 9.325 1.00 32.41 H new ATOM 0 HB1 ALA A 39 7.535 -0.251 8.977 1.00 73.23 H new ATOM 0 HB2 ALA A 39 8.375 -0.824 7.516 1.00 73.23 H new ATOM 0 HB3 ALA A 39 6.604 -0.955 7.633 1.00 73.23 H new ATOM 603 N ALA A 40 5.372 -2.845 9.412 1.00 51.42 N ATOM 604 CA ALA A 40 4.249 -3.005 10.343 1.00 73.25 C ATOM 605 C ALA A 40 3.895 -4.470 10.582 1.00 1.23 C ATOM 606 O ALA A 40 3.319 -4.814 11.608 1.00 23.01 O ATOM 607 CB ALA A 40 3.034 -2.239 9.850 1.00 14.04 C ATOM 0 H ALA A 40 5.126 -2.929 8.426 1.00 51.42 H new ATOM 0 HA ALA A 40 4.567 -2.592 11.300 1.00 73.25 H new ATOM 0 HB1 ALA A 40 2.212 -2.370 10.553 1.00 14.04 H new ATOM 0 HB2 ALA A 40 3.279 -1.180 9.771 1.00 14.04 H new ATOM 0 HB3 ALA A 40 2.738 -2.617 8.871 1.00 14.04 H new ATOM 613 N GLY A 41 4.256 -5.316 9.649 1.00 3.23 N ATOM 614 CA GLY A 41 3.946 -6.730 9.748 1.00 12.02 C ATOM 615 C GLY A 41 2.524 -7.022 9.400 1.00 72.34 C ATOM 616 O GLY A 41 1.750 -7.479 10.242 1.00 44.41 O ATOM 0 H GLY A 41 4.767 -5.053 8.807 1.00 3.23 H new ATOM 0 HA2 GLY A 41 4.603 -7.292 9.084 1.00 12.02 H new ATOM 0 HA3 GLY A 41 4.148 -7.074 10.762 1.00 12.02 H new ATOM 620 N LEU A 42 2.173 -6.741 8.170 1.00 11.11 N ATOM 621 CA LEU A 42 0.855 -6.977 7.672 1.00 25.23 C ATOM 622 C LEU A 42 0.719 -8.495 7.476 1.00 64.25 C ATOM 623 O LEU A 42 1.589 -9.119 6.869 1.00 34.55 O ATOM 624 CB LEU A 42 0.713 -6.229 6.336 1.00 43.14 C ATOM 625 CG LEU A 42 -0.698 -5.929 5.813 1.00 41.21 C ATOM 626 CD1 LEU A 42 -1.518 -7.170 5.577 1.00 22.51 C ATOM 627 CD2 LEU A 42 -1.420 -4.988 6.734 1.00 4.01 C ATOM 0 H LEU A 42 2.809 -6.336 7.483 1.00 11.11 H new ATOM 0 HA LEU A 42 0.078 -6.625 8.351 1.00 25.23 H new ATOM 0 HB2 LEU A 42 1.241 -5.280 6.429 1.00 43.14 H new ATOM 0 HB3 LEU A 42 1.233 -6.809 5.574 1.00 43.14 H new ATOM 0 HG LEU A 42 -0.569 -5.451 4.842 1.00 41.21 H new ATOM 0 HD11 LEU A 42 -2.505 -6.890 5.208 1.00 22.51 H new ATOM 0 HD12 LEU A 42 -1.020 -7.800 4.840 1.00 22.51 H new ATOM 0 HD13 LEU A 42 -1.623 -7.720 6.512 1.00 22.51 H new ATOM 0 HD21 LEU A 42 -2.418 -4.790 6.343 1.00 4.01 H new ATOM 0 HD22 LEU A 42 -1.501 -5.438 7.724 1.00 4.01 H new ATOM 0 HD23 LEU A 42 -0.866 -4.052 6.805 1.00 4.01 H new ATOM 639 N HIS A 43 -0.345 -9.068 7.997 1.00 4.23 N ATOM 640 CA HIS A 43 -0.550 -10.516 7.951 1.00 11.14 C ATOM 641 C HIS A 43 -0.617 -11.056 6.513 1.00 74.04 C ATOM 642 O HIS A 43 0.069 -12.031 6.180 1.00 34.33 O ATOM 643 CB HIS A 43 -1.825 -10.901 8.717 1.00 35.03 C ATOM 644 CG HIS A 43 -2.080 -12.384 8.777 1.00 62.30 C ATOM 645 ND1 HIS A 43 -2.895 -13.051 7.889 1.00 2.22 N ATOM 646 CD2 HIS A 43 -1.620 -13.319 9.630 1.00 74.12 C ATOM 647 CE1 HIS A 43 -2.925 -14.325 8.196 1.00 71.32 C ATOM 648 NE2 HIS A 43 -2.160 -14.517 9.248 1.00 74.15 N ATOM 0 H HIS A 43 -1.093 -8.555 8.463 1.00 4.23 H new ATOM 0 HA HIS A 43 0.316 -10.974 8.429 1.00 11.14 H new ATOM 0 HB2 HIS A 43 -1.757 -10.513 9.733 1.00 35.03 H new ATOM 0 HB3 HIS A 43 -2.680 -10.415 8.247 1.00 35.03 H new ATOM 0 HD2 HIS A 43 -0.950 -13.154 10.461 1.00 74.12 H new ATOM 0 HE1 HIS A 43 -3.483 -15.088 7.673 1.00 71.32 H new ATOM 0 HE2 HIS A 43 -1.996 -15.414 9.705 1.00 74.15 H new ATOM 657 N SER A 44 -1.429 -10.418 5.688 1.00 72.21 N ATOM 658 CA SER A 44 -1.678 -10.855 4.320 1.00 24.01 C ATOM 659 C SER A 44 -2.563 -9.852 3.579 1.00 31.11 C ATOM 660 O SER A 44 -3.531 -9.316 4.150 1.00 40.41 O ATOM 661 CB SER A 44 -2.331 -12.251 4.329 1.00 52.11 C ATOM 662 OG SER A 44 -3.438 -12.299 5.248 1.00 54.01 O ATOM 0 H SER A 44 -1.940 -9.574 5.949 1.00 72.21 H new ATOM 0 HA SER A 44 -0.725 -10.912 3.793 1.00 24.01 H new ATOM 0 HB2 SER A 44 -2.676 -12.501 3.326 1.00 52.11 H new ATOM 0 HB3 SER A 44 -1.590 -13.001 4.607 1.00 52.11 H new ATOM 0 HG SER A 44 -3.165 -12.767 6.065 1.00 54.01 H new ATOM 668 N LEU A 45 -2.227 -9.580 2.339 1.00 42.14 N ATOM 669 CA LEU A 45 -3.019 -8.668 1.526 1.00 43.14 C ATOM 670 C LEU A 45 -3.742 -9.416 0.445 1.00 11.42 C ATOM 671 O LEU A 45 -3.438 -10.577 0.158 1.00 32.24 O ATOM 672 CB LEU A 45 -2.172 -7.558 0.872 1.00 11.21 C ATOM 673 CG LEU A 45 -1.468 -6.573 1.799 1.00 4.44 C ATOM 674 CD1 LEU A 45 -0.566 -5.665 0.986 1.00 31.33 C ATOM 675 CD2 LEU A 45 -2.494 -5.733 2.545 1.00 71.50 C ATOM 0 H LEU A 45 -1.413 -9.973 1.866 1.00 42.14 H new ATOM 0 HA LEU A 45 -3.729 -8.198 2.207 1.00 43.14 H new ATOM 0 HB2 LEU A 45 -1.415 -8.035 0.250 1.00 11.21 H new ATOM 0 HB3 LEU A 45 -2.820 -6.989 0.205 1.00 11.21 H new ATOM 0 HG LEU A 45 -0.871 -7.130 2.521 1.00 4.44 H new ATOM 0 HD11 LEU A 45 -0.064 -4.962 1.650 1.00 31.33 H new ATOM 0 HD12 LEU A 45 0.179 -6.265 0.463 1.00 31.33 H new ATOM 0 HD13 LEU A 45 -1.164 -5.114 0.259 1.00 31.33 H new ATOM 0 HD21 LEU A 45 -1.981 -5.033 3.204 1.00 71.50 H new ATOM 0 HD22 LEU A 45 -3.101 -5.179 1.829 1.00 71.50 H new ATOM 0 HD23 LEU A 45 -3.136 -6.385 3.137 1.00 71.50 H new ATOM 687 N GLU A 46 -4.704 -8.753 -0.117 1.00 42.23 N ATOM 688 CA GLU A 46 -5.467 -9.201 -1.240 1.00 54.55 C ATOM 689 C GLU A 46 -6.271 -8.021 -1.699 1.00 15.35 C ATOM 690 O GLU A 46 -6.408 -7.047 -0.942 1.00 51.42 O ATOM 691 CB GLU A 46 -6.361 -10.404 -0.899 1.00 51.21 C ATOM 692 CG GLU A 46 -7.334 -10.183 0.241 1.00 63.13 C ATOM 693 CD GLU A 46 -8.143 -11.411 0.522 1.00 43.15 C ATOM 694 OE1 GLU A 46 -7.690 -12.261 1.314 1.00 55.44 O ATOM 695 OE2 GLU A 46 -9.242 -11.554 -0.048 1.00 15.03 O ATOM 0 H GLU A 46 -4.994 -7.833 0.214 1.00 42.23 H new ATOM 0 HA GLU A 46 -4.808 -9.559 -2.031 1.00 54.55 H new ATOM 0 HB2 GLU A 46 -6.926 -10.680 -1.789 1.00 51.21 H new ATOM 0 HB3 GLU A 46 -5.722 -11.252 -0.651 1.00 51.21 H new ATOM 0 HG2 GLU A 46 -6.785 -9.895 1.138 1.00 63.13 H new ATOM 0 HG3 GLU A 46 -8.000 -9.356 -0.004 1.00 63.13 H new ATOM 702 N GLU A 47 -6.779 -8.065 -2.887 1.00 41.00 N ATOM 703 CA GLU A 47 -7.515 -6.948 -3.408 1.00 51.11 C ATOM 704 C GLU A 47 -8.892 -6.847 -2.799 1.00 5.42 C ATOM 705 O GLU A 47 -9.466 -7.842 -2.347 1.00 4.35 O ATOM 706 CB GLU A 47 -7.555 -6.897 -4.942 1.00 52.41 C ATOM 707 CG GLU A 47 -8.067 -8.135 -5.653 1.00 10.44 C ATOM 708 CD GLU A 47 -7.132 -9.325 -5.551 1.00 52.14 C ATOM 709 OE1 GLU A 47 -6.184 -9.434 -6.366 1.00 31.22 O ATOM 710 OE2 GLU A 47 -7.332 -10.165 -4.652 1.00 54.13 O ATOM 0 H GLU A 47 -6.701 -8.861 -3.520 1.00 41.00 H new ATOM 0 HA GLU A 47 -6.958 -6.062 -3.104 1.00 51.11 H new ATOM 0 HB2 GLU A 47 -8.178 -6.053 -5.238 1.00 52.41 H new ATOM 0 HB3 GLU A 47 -6.547 -6.691 -5.302 1.00 52.41 H new ATOM 0 HG2 GLU A 47 -9.036 -8.408 -5.236 1.00 10.44 H new ATOM 0 HG3 GLU A 47 -8.228 -7.899 -6.705 1.00 10.44 H new ATOM 717 N GLY A 48 -9.401 -5.645 -2.762 1.00 72.21 N ATOM 718 CA GLY A 48 -10.691 -5.399 -2.151 1.00 51.42 C ATOM 719 C GLY A 48 -10.577 -5.037 -0.673 1.00 11.22 C ATOM 720 O GLY A 48 -11.539 -4.579 -0.060 1.00 43.30 O ATOM 0 H GLY A 48 -8.946 -4.817 -3.146 1.00 72.21 H new ATOM 0 HA2 GLY A 48 -11.193 -4.590 -2.682 1.00 51.42 H new ATOM 0 HA3 GLY A 48 -11.315 -6.286 -2.258 1.00 51.42 H new ATOM 724 N GLN A 49 -9.401 -5.239 -0.106 1.00 73.01 N ATOM 725 CA GLN A 49 -9.144 -4.930 1.291 1.00 62.02 C ATOM 726 C GLN A 49 -8.949 -3.462 1.503 1.00 24.13 C ATOM 727 O GLN A 49 -8.254 -2.817 0.742 1.00 21.50 O ATOM 728 CB GLN A 49 -7.894 -5.652 1.762 1.00 32.25 C ATOM 729 CG GLN A 49 -8.043 -7.140 1.936 1.00 71.24 C ATOM 730 CD GLN A 49 -8.688 -7.568 3.251 1.00 11.32 C ATOM 731 OE1 GLN A 49 -9.560 -6.762 3.808 1.00 12.31 O flip ATOM 732 NE2 GLN A 49 -8.381 -8.640 3.764 1.00 13.05 N flip ATOM 0 H GLN A 49 -8.596 -5.622 -0.601 1.00 73.01 H new ATOM 0 HA GLN A 49 -10.013 -5.258 1.861 1.00 62.02 H new ATOM 0 HB2 GLN A 49 -7.093 -5.464 1.047 1.00 32.25 H new ATOM 0 HB3 GLN A 49 -7.580 -5.220 2.712 1.00 32.25 H new ATOM 0 HG2 GLN A 49 -8.639 -7.530 1.111 1.00 71.24 H new ATOM 0 HG3 GLN A 49 -7.058 -7.601 1.864 1.00 71.24 H new ATOM 0 HE21 GLN A 49 -7.700 -9.247 3.308 1.00 13.05 H new ATOM 0 HE22 GLN A 49 -8.807 -8.924 4.646 1.00 13.05 H new ATOM 741 N ASP A 50 -9.547 -2.945 2.532 1.00 70.32 N ATOM 742 CA ASP A 50 -9.329 -1.573 2.895 1.00 23.23 C ATOM 743 C ASP A 50 -8.123 -1.534 3.768 1.00 30.11 C ATOM 744 O ASP A 50 -7.984 -2.362 4.693 1.00 54.21 O ATOM 745 CB ASP A 50 -10.525 -0.946 3.611 1.00 3.01 C ATOM 746 CG ASP A 50 -11.736 -0.760 2.742 1.00 72.31 C ATOM 747 OD1 ASP A 50 -12.541 -1.714 2.604 1.00 15.24 O ATOM 748 OD2 ASP A 50 -11.923 0.345 2.213 1.00 11.20 O ATOM 0 H ASP A 50 -10.192 -3.451 3.139 1.00 70.32 H new ATOM 0 HA ASP A 50 -9.188 -0.986 1.988 1.00 23.23 H new ATOM 0 HB2 ASP A 50 -10.795 -1.573 4.461 1.00 3.01 H new ATOM 0 HB3 ASP A 50 -10.227 0.023 4.012 1.00 3.01 H new ATOM 753 N VAL A 51 -7.258 -0.624 3.504 1.00 64.41 N ATOM 754 CA VAL A 51 -6.018 -0.574 4.174 1.00 65.44 C ATOM 755 C VAL A 51 -5.658 0.853 4.532 1.00 52.13 C ATOM 756 O VAL A 51 -6.021 1.809 3.842 1.00 13.11 O ATOM 757 CB VAL A 51 -4.904 -1.250 3.317 1.00 50.21 C ATOM 758 CG1 VAL A 51 -4.692 -0.536 1.989 1.00 60.13 C ATOM 759 CG2 VAL A 51 -3.602 -1.397 4.082 1.00 72.23 C ATOM 0 H VAL A 51 -7.395 0.111 2.811 1.00 64.41 H new ATOM 0 HA VAL A 51 -6.104 -1.133 5.106 1.00 65.44 H new ATOM 0 HB VAL A 51 -5.258 -2.256 3.090 1.00 50.21 H new ATOM 0 HG11 VAL A 51 -3.907 -1.041 1.426 1.00 60.13 H new ATOM 0 HG12 VAL A 51 -5.619 -0.552 1.415 1.00 60.13 H new ATOM 0 HG13 VAL A 51 -4.398 0.497 2.174 1.00 60.13 H new ATOM 0 HG21 VAL A 51 -2.857 -1.873 3.444 1.00 72.23 H new ATOM 0 HG22 VAL A 51 -3.245 -0.413 4.385 1.00 72.23 H new ATOM 0 HG23 VAL A 51 -3.767 -2.011 4.967 1.00 72.23 H new ATOM 769 N ILE A 52 -4.993 0.977 5.617 1.00 55.32 N ATOM 770 CA ILE A 52 -4.554 2.227 6.129 1.00 13.03 C ATOM 771 C ILE A 52 -3.048 2.199 6.087 1.00 61.43 C ATOM 772 O ILE A 52 -2.441 1.225 6.539 1.00 11.03 O ATOM 773 CB ILE A 52 -5.022 2.389 7.594 1.00 62.14 C ATOM 774 CG1 ILE A 52 -6.552 2.233 7.681 1.00 62.54 C ATOM 775 CG2 ILE A 52 -4.589 3.741 8.142 1.00 73.31 C ATOM 776 CD1 ILE A 52 -7.102 2.251 9.091 1.00 13.30 C ATOM 0 H ILE A 52 -4.727 0.183 6.199 1.00 55.32 H new ATOM 0 HA ILE A 52 -4.958 3.055 5.546 1.00 13.03 H new ATOM 0 HB ILE A 52 -4.559 1.610 8.200 1.00 62.14 H new ATOM 0 HG12 ILE A 52 -7.020 3.036 7.111 1.00 62.54 H new ATOM 0 HG13 ILE A 52 -6.837 1.295 7.204 1.00 62.54 H new ATOM 0 HG21 ILE A 52 -4.926 3.840 9.174 1.00 73.31 H new ATOM 0 HG22 ILE A 52 -3.502 3.817 8.106 1.00 73.31 H new ATOM 0 HG23 ILE A 52 -5.028 4.536 7.539 1.00 73.31 H new ATOM 0 HD11 ILE A 52 -8.185 2.136 9.060 1.00 13.30 H new ATOM 0 HD12 ILE A 52 -6.666 1.432 9.662 1.00 13.30 H new ATOM 0 HD13 ILE A 52 -6.851 3.199 9.567 1.00 13.30 H new ATOM 788 N PHE A 53 -2.440 3.205 5.528 1.00 34.50 N ATOM 789 CA PHE A 53 -1.004 3.213 5.426 1.00 34.31 C ATOM 790 C PHE A 53 -0.475 4.597 5.517 1.00 63.20 C ATOM 791 O PHE A 53 -1.231 5.561 5.707 1.00 3.42 O ATOM 792 CB PHE A 53 -0.538 2.574 4.098 1.00 20.11 C ATOM 793 CG PHE A 53 -1.126 3.196 2.860 1.00 72.33 C ATOM 794 CD1 PHE A 53 -2.367 2.797 2.394 1.00 72.52 C ATOM 795 CD2 PHE A 53 -0.433 4.171 2.154 1.00 43.45 C ATOM 796 CE1 PHE A 53 -2.901 3.347 1.263 1.00 74.03 C ATOM 797 CE2 PHE A 53 -0.968 4.724 1.018 1.00 63.31 C ATOM 798 CZ PHE A 53 -2.203 4.310 0.569 1.00 74.13 C ATOM 0 H PHE A 53 -2.907 4.024 5.139 1.00 34.50 H new ATOM 0 HA PHE A 53 -0.615 2.626 6.258 1.00 34.31 H new ATOM 0 HB2 PHE A 53 0.548 2.640 4.040 1.00 20.11 H new ATOM 0 HB3 PHE A 53 -0.793 1.514 4.112 1.00 20.11 H new ATOM 0 HD1 PHE A 53 -2.920 2.041 2.931 1.00 72.52 H new ATOM 0 HD2 PHE A 53 0.536 4.497 2.502 1.00 43.45 H new ATOM 0 HE1 PHE A 53 -3.871 3.026 0.913 1.00 74.03 H new ATOM 0 HE2 PHE A 53 -0.422 5.482 0.477 1.00 63.31 H new ATOM 0 HZ PHE A 53 -2.624 4.741 -0.328 1.00 74.13 H new ATOM 808 N ASP A 54 0.807 4.701 5.384 1.00 53.14 N ATOM 809 CA ASP A 54 1.470 5.945 5.340 1.00 72.40 C ATOM 810 C ASP A 54 2.239 5.943 4.057 1.00 44.51 C ATOM 811 O ASP A 54 2.445 4.879 3.468 1.00 14.03 O ATOM 812 CB ASP A 54 2.392 6.155 6.564 1.00 53.23 C ATOM 813 CG ASP A 54 1.638 6.121 7.891 1.00 13.53 C ATOM 814 OD1 ASP A 54 0.745 6.952 8.106 1.00 52.02 O ATOM 815 OD2 ASP A 54 1.914 5.234 8.729 1.00 51.32 O ATOM 0 H ASP A 54 1.430 3.898 5.302 1.00 53.14 H new ATOM 0 HA ASP A 54 0.762 6.772 5.379 1.00 72.40 H new ATOM 0 HB2 ASP A 54 3.161 5.383 6.569 1.00 53.23 H new ATOM 0 HB3 ASP A 54 2.903 7.113 6.467 1.00 53.23 H new ATOM 820 N LEU A 55 2.637 7.058 3.602 1.00 23.43 N ATOM 821 CA LEU A 55 3.296 7.135 2.335 1.00 1.43 C ATOM 822 C LEU A 55 4.573 7.907 2.389 1.00 31.24 C ATOM 823 O LEU A 55 4.638 9.031 2.910 1.00 64.35 O ATOM 824 CB LEU A 55 2.335 7.697 1.283 1.00 62.02 C ATOM 825 CG LEU A 55 2.878 8.068 -0.112 1.00 11.13 C ATOM 826 CD1 LEU A 55 3.623 6.923 -0.739 1.00 71.41 C ATOM 827 CD2 LEU A 55 1.727 8.480 -1.016 1.00 32.41 C ATOM 0 H LEU A 55 2.524 7.951 4.082 1.00 23.43 H new ATOM 0 HA LEU A 55 3.580 6.123 2.048 1.00 1.43 H new ATOM 0 HB2 LEU A 55 1.540 6.965 1.141 1.00 62.02 H new ATOM 0 HB3 LEU A 55 1.874 8.591 1.704 1.00 62.02 H new ATOM 0 HG LEU A 55 3.574 8.898 0.010 1.00 11.13 H new ATOM 0 HD11 LEU A 55 3.991 7.222 -1.721 1.00 71.41 H new ATOM 0 HD12 LEU A 55 4.465 6.646 -0.105 1.00 71.41 H new ATOM 0 HD13 LEU A 55 2.954 6.069 -0.847 1.00 71.41 H new ATOM 0 HD21 LEU A 55 2.114 8.742 -2.001 1.00 32.41 H new ATOM 0 HD22 LEU A 55 1.024 7.652 -1.110 1.00 32.41 H new ATOM 0 HD23 LEU A 55 1.217 9.342 -0.586 1.00 32.41 H new ATOM 839 N GLU A 56 5.568 7.293 1.860 1.00 32.11 N ATOM 840 CA GLU A 56 6.849 7.874 1.682 1.00 14.41 C ATOM 841 C GLU A 56 7.180 7.791 0.227 1.00 10.10 C ATOM 842 O GLU A 56 6.922 6.770 -0.428 1.00 64.42 O ATOM 843 CB GLU A 56 7.931 7.174 2.494 1.00 41.35 C ATOM 844 CG GLU A 56 7.773 7.280 3.991 1.00 45.31 C ATOM 845 CD GLU A 56 8.930 6.651 4.718 1.00 21.03 C ATOM 846 OE1 GLU A 56 8.916 5.431 4.938 1.00 34.13 O ATOM 847 OE2 GLU A 56 9.890 7.381 5.087 1.00 22.34 O ATOM 0 H GLU A 56 5.510 6.331 1.525 1.00 32.11 H new ATOM 0 HA GLU A 56 6.817 8.905 2.033 1.00 14.41 H new ATOM 0 HB2 GLU A 56 7.946 6.119 2.219 1.00 41.35 H new ATOM 0 HB3 GLU A 56 8.899 7.590 2.215 1.00 41.35 H new ATOM 0 HG2 GLU A 56 7.692 8.329 4.275 1.00 45.31 H new ATOM 0 HG3 GLU A 56 6.845 6.795 4.294 1.00 45.31 H new ATOM 854 N GLU A 57 7.722 8.825 -0.288 1.00 63.51 N ATOM 855 CA GLU A 57 8.045 8.854 -1.662 1.00 22.52 C ATOM 856 C GLU A 57 9.508 8.644 -1.854 1.00 50.23 C ATOM 857 O GLU A 57 10.327 8.898 -0.971 1.00 32.44 O ATOM 858 CB GLU A 57 7.559 10.123 -2.334 1.00 35.45 C ATOM 859 CG GLU A 57 8.117 11.367 -1.734 1.00 1.30 C ATOM 860 CD GLU A 57 7.502 12.604 -2.318 1.00 32.13 C ATOM 861 OE1 GLU A 57 6.289 12.807 -2.149 1.00 51.43 O ATOM 862 OE2 GLU A 57 8.233 13.412 -2.932 1.00 2.21 O ATOM 0 H GLU A 57 7.955 9.674 0.227 1.00 63.51 H new ATOM 0 HA GLU A 57 7.520 8.033 -2.150 1.00 22.52 H new ATOM 0 HB2 GLU A 57 7.824 10.089 -3.391 1.00 35.45 H new ATOM 0 HB3 GLU A 57 6.471 10.159 -2.279 1.00 35.45 H new ATOM 0 HG2 GLU A 57 7.951 11.355 -0.657 1.00 1.30 H new ATOM 0 HG3 GLU A 57 9.196 11.391 -1.890 1.00 1.30 H new ATOM 869 N LYS A 58 9.816 8.186 -2.978 1.00 31.22 N ATOM 870 CA LYS A 58 11.150 7.833 -3.339 1.00 52.02 C ATOM 871 C LYS A 58 11.561 8.749 -4.488 1.00 73.51 C ATOM 872 O LYS A 58 12.426 8.423 -5.296 1.00 63.13 O ATOM 873 CB LYS A 58 11.124 6.371 -3.783 1.00 51.34 C ATOM 874 CG LYS A 58 12.476 5.698 -3.825 1.00 51.51 C ATOM 875 CD LYS A 58 12.347 4.243 -4.226 1.00 72.14 C ATOM 876 CE LYS A 58 13.691 3.550 -4.205 1.00 11.33 C ATOM 877 NZ LYS A 58 14.295 3.534 -2.848 1.00 34.21 N ATOM 0 H LYS A 58 9.136 8.030 -3.722 1.00 31.22 H new ATOM 0 HA LYS A 58 11.859 7.946 -2.519 1.00 52.02 H new ATOM 0 HB2 LYS A 58 10.476 5.812 -3.107 1.00 51.34 H new ATOM 0 HB3 LYS A 58 10.675 6.315 -4.775 1.00 51.34 H new ATOM 0 HG2 LYS A 58 13.123 6.218 -4.532 1.00 51.51 H new ATOM 0 HG3 LYS A 58 12.952 5.768 -2.847 1.00 51.51 H new ATOM 0 HD2 LYS A 58 11.662 3.735 -3.547 1.00 72.14 H new ATOM 0 HD3 LYS A 58 11.915 4.175 -5.224 1.00 72.14 H new ATOM 0 HE2 LYS A 58 13.575 2.526 -4.561 1.00 11.33 H new ATOM 0 HE3 LYS A 58 14.368 4.053 -4.896 1.00 11.33 H new ATOM 0 HZ1 LYS A 58 15.073 2.844 -2.822 1.00 34.21 H new ATOM 0 HZ2 LYS A 58 14.663 4.480 -2.621 1.00 34.21 H new ATOM 0 HZ3 LYS A 58 13.572 3.266 -2.150 1.00 34.21 H new ATOM 891 N GLN A 59 10.893 9.918 -4.533 1.00 44.22 N ATOM 892 CA GLN A 59 11.082 10.978 -5.550 1.00 43.22 C ATOM 893 C GLN A 59 10.543 10.557 -6.915 1.00 75.33 C ATOM 894 O GLN A 59 9.658 11.204 -7.474 1.00 54.40 O ATOM 895 CB GLN A 59 12.541 11.440 -5.639 1.00 23.03 C ATOM 896 CG GLN A 59 13.076 12.014 -4.343 1.00 44.54 C ATOM 897 CD GLN A 59 14.508 12.460 -4.459 1.00 1.12 C ATOM 898 OE1 GLN A 59 14.787 13.606 -4.797 1.00 64.03 O ATOM 899 NE2 GLN A 59 15.416 11.572 -4.189 1.00 32.53 N ATOM 0 H GLN A 59 10.184 10.161 -3.842 1.00 44.22 H new ATOM 0 HA GLN A 59 10.496 11.836 -5.220 1.00 43.22 H new ATOM 0 HB2 GLN A 59 13.163 10.596 -5.937 1.00 23.03 H new ATOM 0 HB3 GLN A 59 12.628 12.192 -6.423 1.00 23.03 H new ATOM 0 HG2 GLN A 59 12.458 12.860 -4.042 1.00 44.54 H new ATOM 0 HG3 GLN A 59 12.995 11.264 -3.556 1.00 44.54 H new ATOM 0 HE21 GLN A 59 15.141 10.630 -3.911 1.00 32.53 H new ATOM 0 HE22 GLN A 59 16.404 11.817 -4.254 1.00 32.53 H new ATOM 908 N GLY A 60 11.077 9.497 -7.446 1.00 5.44 N ATOM 909 CA GLY A 60 10.588 8.975 -8.688 1.00 32.14 C ATOM 910 C GLY A 60 9.465 7.993 -8.460 1.00 24.14 C ATOM 911 O GLY A 60 8.633 7.774 -9.332 1.00 12.31 O ATOM 0 H GLY A 60 11.853 8.976 -7.038 1.00 5.44 H new ATOM 0 HA2 GLY A 60 10.238 9.793 -9.317 1.00 32.14 H new ATOM 0 HA3 GLY A 60 11.400 8.485 -9.225 1.00 32.14 H new ATOM 915 N LYS A 61 9.435 7.420 -7.273 1.00 64.05 N ATOM 916 CA LYS A 61 8.440 6.425 -6.931 1.00 40.43 C ATOM 917 C LYS A 61 7.648 6.842 -5.696 1.00 31.13 C ATOM 918 O LYS A 61 8.057 7.752 -4.963 1.00 53.13 O ATOM 919 CB LYS A 61 9.100 5.057 -6.696 1.00 62.41 C ATOM 920 CG LYS A 61 9.818 4.503 -7.909 1.00 3.41 C ATOM 921 CD LYS A 61 8.856 4.275 -9.056 1.00 10.13 C ATOM 922 CE LYS A 61 9.581 3.816 -10.286 1.00 20.14 C ATOM 923 NZ LYS A 61 8.663 3.570 -11.408 1.00 11.44 N ATOM 0 H LYS A 61 10.095 7.629 -6.524 1.00 64.05 H new ATOM 0 HA LYS A 61 7.750 6.344 -7.771 1.00 40.43 H new ATOM 0 HB2 LYS A 61 9.811 5.144 -5.874 1.00 62.41 H new ATOM 0 HB3 LYS A 61 8.336 4.346 -6.382 1.00 62.41 H new ATOM 0 HG2 LYS A 61 10.601 5.195 -8.219 1.00 3.41 H new ATOM 0 HG3 LYS A 61 10.307 3.564 -7.649 1.00 3.41 H new ATOM 0 HD2 LYS A 61 8.113 3.531 -8.769 1.00 10.13 H new ATOM 0 HD3 LYS A 61 8.317 5.197 -9.271 1.00 10.13 H new ATOM 0 HE2 LYS A 61 10.314 4.568 -10.576 1.00 20.14 H new ATOM 0 HE3 LYS A 61 10.132 2.903 -10.062 1.00 20.14 H new ATOM 0 HZ1 LYS A 61 9.205 3.255 -12.237 1.00 11.44 H new ATOM 0 HZ2 LYS A 61 7.978 2.834 -11.141 1.00 11.44 H new ATOM 0 HZ3 LYS A 61 8.155 4.447 -11.640 1.00 11.44 H new ATOM 937 N ALA A 62 6.535 6.183 -5.475 1.00 54.43 N ATOM 938 CA ALA A 62 5.676 6.410 -4.320 1.00 24.14 C ATOM 939 C ALA A 62 5.192 5.065 -3.819 1.00 62.11 C ATOM 940 O ALA A 62 4.480 4.360 -4.537 1.00 64.30 O ATOM 941 CB ALA A 62 4.477 7.281 -4.708 1.00 13.32 C ATOM 0 H ALA A 62 6.188 5.457 -6.102 1.00 54.43 H new ATOM 0 HA ALA A 62 6.235 6.928 -3.541 1.00 24.14 H new ATOM 0 HB1 ALA A 62 3.846 7.441 -3.834 1.00 13.32 H new ATOM 0 HB2 ALA A 62 4.831 8.242 -5.081 1.00 13.32 H new ATOM 0 HB3 ALA A 62 3.900 6.780 -5.486 1.00 13.32 H new ATOM 947 N TYR A 63 5.562 4.699 -2.610 1.00 23.11 N ATOM 948 CA TYR A 63 5.204 3.394 -2.094 1.00 54.51 C ATOM 949 C TYR A 63 4.585 3.468 -0.707 1.00 31.50 C ATOM 950 O TYR A 63 5.038 4.221 0.162 1.00 11.34 O ATOM 951 CB TYR A 63 6.405 2.435 -2.111 1.00 73.20 C ATOM 952 CG TYR A 63 7.607 2.875 -1.291 1.00 20.24 C ATOM 953 CD1 TYR A 63 8.465 3.881 -1.732 1.00 25.24 C ATOM 954 CD2 TYR A 63 7.874 2.285 -0.069 1.00 24.52 C ATOM 955 CE1 TYR A 63 9.547 4.274 -0.972 1.00 12.44 C ATOM 956 CE2 TYR A 63 8.951 2.676 0.693 1.00 10.22 C ATOM 957 CZ TYR A 63 9.782 3.668 0.239 1.00 40.03 C ATOM 958 OH TYR A 63 10.862 4.058 1.010 1.00 35.21 O ATOM 0 H TYR A 63 6.105 5.280 -1.971 1.00 23.11 H new ATOM 0 HA TYR A 63 4.441 2.994 -2.762 1.00 54.51 H new ATOM 0 HB2 TYR A 63 6.076 1.462 -1.747 1.00 73.20 H new ATOM 0 HB3 TYR A 63 6.723 2.298 -3.144 1.00 73.20 H new ATOM 0 HD1 TYR A 63 8.280 4.360 -2.682 1.00 25.24 H new ATOM 0 HD2 TYR A 63 7.225 1.502 0.294 1.00 24.52 H new ATOM 0 HE1 TYR A 63 10.206 5.053 -1.326 1.00 12.44 H new ATOM 0 HE2 TYR A 63 9.141 2.203 1.645 1.00 10.22 H new ATOM 0 HH TYR A 63 10.882 3.530 1.835 1.00 35.21 H new ATOM 968 N ALA A 64 3.548 2.694 -0.531 1.00 32.45 N ATOM 969 CA ALA A 64 2.816 2.599 0.720 1.00 43.43 C ATOM 970 C ALA A 64 3.656 1.905 1.763 1.00 3.31 C ATOM 971 O ALA A 64 4.330 0.902 1.475 1.00 3.32 O ATOM 972 CB ALA A 64 1.516 1.837 0.495 1.00 23.34 C ATOM 0 H ALA A 64 3.173 2.094 -1.266 1.00 32.45 H new ATOM 0 HA ALA A 64 2.583 3.603 1.076 1.00 43.43 H new ATOM 0 HB1 ALA A 64 0.968 1.767 1.435 1.00 23.34 H new ATOM 0 HB2 ALA A 64 0.908 2.364 -0.241 1.00 23.34 H new ATOM 0 HB3 ALA A 64 1.740 0.835 0.130 1.00 23.34 H new ATOM 978 N VAL A 65 3.620 2.438 2.956 1.00 14.00 N ATOM 979 CA VAL A 65 4.371 1.923 4.084 1.00 52.34 C ATOM 980 C VAL A 65 3.498 1.881 5.306 1.00 5.42 C ATOM 981 O VAL A 65 2.467 2.542 5.345 1.00 4.43 O ATOM 982 CB VAL A 65 5.672 2.740 4.405 1.00 2.10 C ATOM 983 CG1 VAL A 65 6.658 2.679 3.264 1.00 65.02 C ATOM 984 CG2 VAL A 65 5.355 4.189 4.754 1.00 5.54 C ATOM 0 H VAL A 65 3.058 3.259 3.181 1.00 14.00 H new ATOM 0 HA VAL A 65 4.691 0.920 3.800 1.00 52.34 H new ATOM 0 HB VAL A 65 6.130 2.275 5.278 1.00 2.10 H new ATOM 0 HG11 VAL A 65 7.547 3.255 3.520 1.00 65.02 H new ATOM 0 HG12 VAL A 65 6.938 1.642 3.081 1.00 65.02 H new ATOM 0 HG13 VAL A 65 6.202 3.096 2.366 1.00 65.02 H new ATOM 0 HG21 VAL A 65 6.281 4.722 4.970 1.00 5.54 H new ATOM 0 HG22 VAL A 65 4.851 4.664 3.913 1.00 5.54 H new ATOM 0 HG23 VAL A 65 4.706 4.219 5.630 1.00 5.54 H new ATOM 994 N ASN A 66 3.918 1.095 6.297 1.00 51.35 N ATOM 995 CA ASN A 66 3.212 0.960 7.578 1.00 12.41 C ATOM 996 C ASN A 66 1.775 0.524 7.332 1.00 75.03 C ATOM 997 O ASN A 66 0.842 1.280 7.571 1.00 33.05 O ATOM 998 CB ASN A 66 3.223 2.289 8.344 1.00 61.54 C ATOM 999 CG ASN A 66 2.916 2.145 9.837 1.00 42.52 C ATOM 1000 OD1 ASN A 66 2.191 1.246 10.268 1.00 4.42 O ATOM 1001 ND2 ASN A 66 3.474 3.028 10.629 1.00 24.33 N ATOM 0 H ASN A 66 4.764 0.528 6.236 1.00 51.35 H new ATOM 0 HA ASN A 66 3.724 0.207 8.177 1.00 12.41 H new ATOM 0 HB2 ASN A 66 4.201 2.757 8.227 1.00 61.54 H new ATOM 0 HB3 ASN A 66 2.492 2.962 7.896 1.00 61.54 H new ATOM 0 HD21 ASN A 66 3.314 2.984 11.635 1.00 24.33 H new ATOM 0 HD22 ASN A 66 4.069 3.759 10.239 1.00 24.33 H new ATOM 1008 N LEU A 67 1.602 -0.650 6.788 1.00 75.12 N ATOM 1009 CA LEU A 67 0.273 -1.090 6.431 1.00 74.34 C ATOM 1010 C LEU A 67 -0.512 -1.595 7.606 1.00 60.20 C ATOM 1011 O LEU A 67 -0.003 -2.337 8.453 1.00 24.44 O ATOM 1012 CB LEU A 67 0.281 -2.170 5.389 1.00 0.03 C ATOM 1013 CG LEU A 67 0.903 -1.879 4.046 1.00 21.05 C ATOM 1014 CD1 LEU A 67 0.562 -2.983 3.151 1.00 75.23 C ATOM 1015 CD2 LEU A 67 0.426 -0.576 3.467 1.00 54.34 C ATOM 0 H LEU A 67 2.349 -1.313 6.583 1.00 75.12 H new ATOM 0 HA LEU A 67 -0.205 -0.196 6.032 1.00 74.34 H new ATOM 0 HB2 LEU A 67 0.796 -3.033 5.812 1.00 0.03 H new ATOM 0 HB3 LEU A 67 -0.753 -2.470 5.216 1.00 0.03 H new ATOM 0 HG LEU A 67 1.982 -1.787 4.166 1.00 21.05 H new ATOM 0 HD11 LEU A 67 0.998 -2.803 2.168 1.00 75.23 H new ATOM 0 HD12 LEU A 67 0.955 -3.915 3.557 1.00 75.23 H new ATOM 0 HD13 LEU A 67 -0.522 -3.056 3.059 1.00 75.23 H new ATOM 0 HD21 LEU A 67 0.902 -0.411 2.500 1.00 54.34 H new ATOM 0 HD22 LEU A 67 -0.656 -0.610 3.338 1.00 54.34 H new ATOM 0 HD23 LEU A 67 0.685 0.239 4.143 1.00 54.34 H new ATOM 1027 N ARG A 68 -1.744 -1.207 7.640 1.00 20.34 N ATOM 1028 CA ARG A 68 -2.682 -1.639 8.593 1.00 5.41 C ATOM 1029 C ARG A 68 -3.966 -1.954 7.906 1.00 74.14 C ATOM 1030 O ARG A 68 -4.398 -1.201 7.058 1.00 41.42 O ATOM 1031 CB ARG A 68 -2.975 -0.561 9.613 1.00 4.01 C ATOM 1032 CG ARG A 68 -1.866 -0.225 10.580 1.00 63.14 C ATOM 1033 CD ARG A 68 -1.001 0.900 10.057 1.00 74.14 C ATOM 1034 NE ARG A 68 -1.722 2.189 10.086 1.00 31.05 N ATOM 1035 CZ ARG A 68 -1.211 3.362 9.719 1.00 41.02 C ATOM 1036 NH1 ARG A 68 -0.084 3.406 9.016 1.00 70.12 N ATOM 1037 NH2 ARG A 68 -1.873 4.494 10.000 1.00 3.31 N ATOM 0 H ARG A 68 -2.132 -0.547 6.965 1.00 20.34 H new ATOM 0 HA ARG A 68 -2.263 -2.511 9.095 1.00 5.41 H new ATOM 0 HB2 ARG A 68 -3.248 0.349 9.078 1.00 4.01 H new ATOM 0 HB3 ARG A 68 -3.849 -0.866 10.189 1.00 4.01 H new ATOM 0 HG2 ARG A 68 -2.293 0.059 11.542 1.00 63.14 H new ATOM 0 HG3 ARG A 68 -1.252 -1.109 10.753 1.00 63.14 H new ATOM 0 HD2 ARG A 68 -0.095 0.974 10.658 1.00 74.14 H new ATOM 0 HD3 ARG A 68 -0.690 0.678 9.036 1.00 74.14 H new ATOM 0 HE ARG A 68 -2.688 2.179 10.413 1.00 31.05 H new ATOM 0 HH11 ARG A 68 0.390 2.541 8.757 1.00 70.12 H new ATOM 0 HH12 ARG A 68 0.307 4.305 8.735 1.00 70.12 H new ATOM 0 HH21 ARG A 68 -2.765 4.454 10.493 1.00 3.31 H new ATOM 0 HH22 ARG A 68 -1.485 5.395 9.720 1.00 3.31 H new ATOM 1051 N ILE A 69 -4.568 -3.051 8.236 1.00 40.42 N ATOM 1052 CA ILE A 69 -5.853 -3.346 7.719 1.00 1.41 C ATOM 1053 C ILE A 69 -6.872 -2.452 8.372 1.00 53.22 C ATOM 1054 O ILE A 69 -6.821 -2.229 9.583 1.00 72.43 O ATOM 1055 CB ILE A 69 -6.252 -4.833 7.877 1.00 64.44 C ATOM 1056 CG1 ILE A 69 -6.260 -5.351 9.364 1.00 41.13 C ATOM 1057 CG2 ILE A 69 -5.409 -5.701 6.979 1.00 24.43 C ATOM 1058 CD1 ILE A 69 -4.948 -5.289 10.148 1.00 11.12 C ATOM 0 H ILE A 69 -4.183 -3.756 8.864 1.00 40.42 H new ATOM 0 HA ILE A 69 -5.820 -3.157 6.646 1.00 1.41 H new ATOM 0 HB ILE A 69 -7.293 -4.904 7.561 1.00 64.44 H new ATOM 0 HG12 ILE A 69 -7.006 -4.778 9.914 1.00 41.13 H new ATOM 0 HG13 ILE A 69 -6.597 -6.388 9.356 1.00 41.13 H new ATOM 0 HG21 ILE A 69 -5.702 -6.744 7.102 1.00 24.43 H new ATOM 0 HG22 ILE A 69 -5.557 -5.402 5.941 1.00 24.43 H new ATOM 0 HG23 ILE A 69 -4.358 -5.586 7.244 1.00 24.43 H new ATOM 0 HD11 ILE A 69 -5.106 -5.678 11.154 1.00 11.12 H new ATOM 0 HD12 ILE A 69 -4.193 -5.890 9.641 1.00 11.12 H new ATOM 0 HD13 ILE A 69 -4.609 -4.255 10.208 1.00 11.12 H new ATOM 1070 N LYS A 70 -7.736 -1.895 7.565 1.00 4.32 N ATOM 1071 CA LYS A 70 -8.779 -1.018 8.042 1.00 12.41 C ATOM 1072 C LYS A 70 -9.751 -1.792 8.929 1.00 44.45 C ATOM 1073 O LYS A 70 -10.607 -2.519 8.387 1.00 37.27 O ATOM 1074 CB LYS A 70 -9.540 -0.390 6.876 1.00 64.32 C ATOM 1075 CG LYS A 70 -10.517 0.673 7.317 1.00 24.31 C ATOM 1076 CD LYS A 70 -11.262 1.285 6.146 1.00 14.52 C ATOM 1077 CE LYS A 70 -12.304 2.278 6.624 1.00 55.32 C ATOM 1078 NZ LYS A 70 -13.039 2.900 5.501 1.00 32.24 N ATOM 1079 OXT LYS A 70 -9.679 -1.655 10.162 1.00 37.27 O ATOM 0 H LYS A 70 -7.738 -2.036 6.555 1.00 4.32 H new ATOM 0 HA LYS A 70 -8.312 -0.222 8.622 1.00 12.41 H new ATOM 0 HB2 LYS A 70 -8.827 0.047 6.176 1.00 64.32 H new ATOM 0 HB3 LYS A 70 -10.078 -1.170 6.338 1.00 64.32 H new ATOM 0 HG2 LYS A 70 -11.233 0.239 8.015 1.00 24.31 H new ATOM 0 HG3 LYS A 70 -9.982 1.456 7.855 1.00 24.31 H new ATOM 0 HD2 LYS A 70 -10.556 1.784 5.482 1.00 14.52 H new ATOM 0 HD3 LYS A 70 -11.744 0.498 5.565 1.00 14.52 H new ATOM 0 HE2 LYS A 70 -13.010 1.772 7.283 1.00 55.32 H new ATOM 0 HE3 LYS A 70 -11.819 3.056 7.214 1.00 55.32 H new ATOM 0 HZ1 LYS A 70 -13.740 3.571 5.874 1.00 32.24 H new ATOM 0 HZ2 LYS A 70 -12.370 3.405 4.886 1.00 32.24 H new ATOM 0 HZ3 LYS A 70 -13.524 2.162 4.952 1.00 32.24 H new