USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 392 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -65:sc= 0.48 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.962 K(o=-0.96,f=-6.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 77:sc= -0.0481 USER MOD Single : A 15 THR OG1 : rot 130:sc= -0.1 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -4.92 K(o=-4.9,f=-8!) USER MOD Single : A 27 HIS : no HE2:sc= -0.749 K(o=-0.75,f=-3.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.012) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.51 X(o=-2.5,f=-3) USER MOD Single : A 47 THR OG1 : rot -99:sc= 1.28 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.691 K(o=0.69,f=-9.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.191 12.919 -1.724 1.00 31.52 N ATOM 2 CA GLY A 1 -14.807 14.182 -1.121 1.00 62.44 C ATOM 3 C GLY A 1 -13.648 14.839 -1.843 1.00 44.43 C ATOM 4 O GLY A 1 -13.694 15.039 -3.058 1.00 34.23 O ATOM 0 H1 GLY A 1 -15.987 12.509 -1.195 1.00 31.52 H new ATOM 0 H2 GLY A 1 -15.477 13.078 -2.711 1.00 31.52 H new ATOM 0 H3 GLY A 1 -14.384 12.263 -1.699 1.00 31.52 H new ATOM 0 HA2 GLY A 1 -15.663 14.857 -1.123 1.00 62.44 H new ATOM 0 HA3 GLY A 1 -14.535 14.016 -0.079 1.00 62.44 H new ATOM 8 N THR A 2 -12.603 15.180 -1.095 1.00 23.30 N ATOM 9 CA THR A 2 -11.427 15.821 -1.670 1.00 54.51 C ATOM 10 C THR A 2 -10.148 15.118 -1.232 1.00 45.53 C ATOM 11 O THR A 2 -9.390 15.618 -0.400 1.00 62.13 O ATOM 12 CB THR A 2 -11.346 17.307 -1.270 1.00 72.23 C ATOM 13 OG1 THR A 2 -10.074 17.847 -1.646 1.00 72.51 O ATOM 14 CG2 THR A 2 -11.552 17.476 0.227 1.00 11.14 C ATOM 0 H THR A 2 -12.547 15.023 -0.089 1.00 23.30 H new ATOM 0 HA THR A 2 -11.525 15.748 -2.753 1.00 54.51 H new ATOM 0 HB THR A 2 -12.137 17.845 -1.792 1.00 72.23 H new ATOM 0 HG1 THR A 2 -9.366 17.404 -1.133 1.00 72.51 H new ATOM 0 HG21 THR A 2 -11.491 18.533 0.486 1.00 11.14 H new ATOM 0 HG22 THR A 2 -12.533 17.091 0.505 1.00 11.14 H new ATOM 0 HG23 THR A 2 -10.780 16.925 0.765 1.00 11.14 H new ATOM 22 N PRO A 3 -9.898 13.931 -1.805 1.00 0.42 N ATOM 23 CA PRO A 3 -8.708 13.135 -1.489 1.00 74.14 C ATOM 24 C PRO A 3 -7.428 13.770 -2.020 1.00 41.40 C ATOM 25 O PRO A 3 -7.472 14.730 -2.789 1.00 41.44 O ATOM 26 CB PRO A 3 -8.976 11.803 -2.194 1.00 73.13 C ATOM 27 CG PRO A 3 -9.905 12.144 -3.308 1.00 72.20 C ATOM 28 CD PRO A 3 -10.758 13.276 -2.805 1.00 24.35 C ATOM 0 HA PRO A 3 -8.554 13.041 -0.414 1.00 74.14 H new ATOM 0 HB2 PRO A 3 -8.053 11.361 -2.569 1.00 73.13 H new ATOM 0 HB3 PRO A 3 -9.423 11.078 -1.514 1.00 73.13 H new ATOM 0 HG2 PRO A 3 -9.353 12.438 -4.200 1.00 72.20 H new ATOM 0 HG3 PRO A 3 -10.518 11.285 -3.581 1.00 72.20 H new ATOM 0 HD2 PRO A 3 -11.033 13.960 -3.608 1.00 24.35 H new ATOM 0 HD3 PRO A 3 -11.686 12.914 -2.362 1.00 24.35 H new ATOM 36 N VAL A 4 -6.287 13.228 -1.604 1.00 54.44 N ATOM 37 CA VAL A 4 -4.994 13.742 -2.039 1.00 61.44 C ATOM 38 C VAL A 4 -3.969 12.619 -2.158 1.00 51.24 C ATOM 39 O VAL A 4 -3.998 11.655 -1.395 1.00 62.32 O ATOM 40 CB VAL A 4 -4.458 14.810 -1.068 1.00 34.02 C ATOM 41 CG1 VAL A 4 -5.218 16.117 -1.239 1.00 61.33 C ATOM 42 CG2 VAL A 4 -4.548 14.316 0.368 1.00 10.33 C ATOM 0 H VAL A 4 -6.232 12.434 -0.967 1.00 54.44 H new ATOM 0 HA VAL A 4 -5.147 14.197 -3.018 1.00 61.44 H new ATOM 0 HB VAL A 4 -3.409 14.994 -1.300 1.00 34.02 H new ATOM 0 HG11 VAL A 4 -4.825 16.860 -0.545 1.00 61.33 H new ATOM 0 HG12 VAL A 4 -5.098 16.477 -2.261 1.00 61.33 H new ATOM 0 HG13 VAL A 4 -6.276 15.952 -1.034 1.00 61.33 H new ATOM 0 HG21 VAL A 4 -4.165 15.083 1.041 1.00 10.33 H new ATOM 0 HG22 VAL A 4 -5.588 14.103 0.615 1.00 10.33 H new ATOM 0 HG23 VAL A 4 -3.955 13.408 0.478 1.00 10.33 H new ATOM 52 N GLY A 5 -3.063 12.752 -3.122 1.00 4.30 N ATOM 53 CA GLY A 5 -2.040 11.742 -3.323 1.00 53.14 C ATOM 54 C GLY A 5 -2.466 10.676 -4.313 1.00 61.03 C ATOM 55 O GLY A 5 -1.686 10.273 -5.175 1.00 22.22 O ATOM 0 H GLY A 5 -3.019 13.541 -3.767 1.00 4.30 H new ATOM 0 HA2 GLY A 5 -1.127 12.220 -3.678 1.00 53.14 H new ATOM 0 HA3 GLY A 5 -1.804 11.273 -2.368 1.00 53.14 H new ATOM 59 N ASN A 6 -3.707 10.217 -4.189 1.00 50.02 N ATOM 60 CA ASN A 6 -4.234 9.189 -5.079 1.00 74.02 C ATOM 61 C ASN A 6 -4.830 9.812 -6.338 1.00 10.42 C ATOM 62 O ASN A 6 -5.819 9.320 -6.878 1.00 73.32 O ATOM 63 CB ASN A 6 -5.296 8.356 -4.358 1.00 23.12 C ATOM 64 CG ASN A 6 -4.759 7.699 -3.100 1.00 53.54 C ATOM 65 OD1 ASN A 6 -4.040 6.703 -3.166 1.00 25.22 O ATOM 66 ND2 ASN A 6 -5.109 8.257 -1.947 1.00 23.11 N ATOM 0 H ASN A 6 -4.366 10.541 -3.481 1.00 50.02 H new ATOM 0 HA ASN A 6 -3.409 8.540 -5.372 1.00 74.02 H new ATOM 0 HB2 ASN A 6 -6.141 8.994 -4.099 1.00 23.12 H new ATOM 0 HB3 ASN A 6 -5.672 7.588 -5.034 1.00 23.12 H new ATOM 0 HD21 ASN A 6 -4.779 7.860 -1.067 1.00 23.11 H new ATOM 0 HD22 ASN A 6 -5.708 9.083 -1.941 1.00 23.11 H new ATOM 73 N ASN A 7 -4.219 10.899 -6.799 1.00 55.12 N ATOM 74 CA ASN A 7 -4.689 11.590 -7.994 1.00 52.34 C ATOM 75 C ASN A 7 -4.952 10.602 -9.127 1.00 21.05 C ATOM 76 O ASN A 7 -4.204 9.642 -9.314 1.00 32.23 O ATOM 77 CB ASN A 7 -3.664 12.634 -8.441 1.00 43.23 C ATOM 78 CG ASN A 7 -3.363 13.651 -7.357 1.00 21.53 C ATOM 79 OD1 ASN A 7 -3.015 13.290 -6.232 1.00 43.22 O ATOM 80 ND2 ASN A 7 -3.497 14.929 -7.691 1.00 23.25 N ATOM 0 H ASN A 7 -3.398 11.320 -6.363 1.00 55.12 H new ATOM 0 HA ASN A 7 -5.625 12.091 -7.748 1.00 52.34 H new ATOM 0 HB2 ASN A 7 -2.741 12.132 -8.731 1.00 43.23 H new ATOM 0 HB3 ASN A 7 -4.037 13.150 -9.326 1.00 43.23 H new ATOM 0 HD21 ASN A 7 -3.309 15.658 -7.003 1.00 23.25 H new ATOM 0 HD22 ASN A 7 -3.788 15.181 -8.635 1.00 23.25 H new ATOM 87 N LYS A 8 -6.019 10.844 -9.880 1.00 51.01 N ATOM 88 CA LYS A 8 -6.381 9.978 -10.996 1.00 31.34 C ATOM 89 C LYS A 8 -5.293 9.984 -12.065 1.00 13.22 C ATOM 90 O LYS A 8 -5.142 9.021 -12.817 1.00 54.34 O ATOM 91 CB LYS A 8 -7.712 10.425 -11.604 1.00 71.13 C ATOM 92 CG LYS A 8 -8.928 9.874 -10.880 1.00 60.50 C ATOM 93 CD LYS A 8 -9.370 8.543 -11.465 1.00 62.33 C ATOM 94 CE LYS A 8 -10.843 8.276 -11.195 1.00 4.24 C ATOM 95 NZ LYS A 8 -11.634 8.206 -12.454 1.00 71.40 N ATOM 0 H LYS A 8 -6.649 11.633 -9.738 1.00 51.01 H new ATOM 0 HA LYS A 8 -6.486 8.962 -10.616 1.00 31.34 H new ATOM 0 HB2 LYS A 8 -7.758 11.514 -11.596 1.00 71.13 H new ATOM 0 HB3 LYS A 8 -7.748 10.112 -12.647 1.00 71.13 H new ATOM 0 HG2 LYS A 8 -8.697 9.749 -9.822 1.00 60.50 H new ATOM 0 HG3 LYS A 8 -9.747 10.591 -10.945 1.00 60.50 H new ATOM 0 HD2 LYS A 8 -9.190 8.539 -12.540 1.00 62.33 H new ATOM 0 HD3 LYS A 8 -8.770 7.740 -11.038 1.00 62.33 H new ATOM 0 HE2 LYS A 8 -10.948 7.339 -10.648 1.00 4.24 H new ATOM 0 HE3 LYS A 8 -11.244 9.064 -10.558 1.00 4.24 H new ATOM 0 HZ1 LYS A 8 -12.632 8.023 -12.227 1.00 71.40 H new ATOM 0 HZ2 LYS A 8 -11.555 9.109 -12.964 1.00 71.40 H new ATOM 0 HZ3 LYS A 8 -11.268 7.437 -13.052 1.00 71.40 H new ATOM 109 N CYS A 9 -4.537 11.075 -12.126 1.00 25.22 N ATOM 110 CA CYS A 9 -3.462 11.207 -13.102 1.00 24.42 C ATOM 111 C CYS A 9 -3.997 11.064 -14.524 1.00 33.45 C ATOM 112 O CYS A 9 -3.937 9.986 -15.115 1.00 24.31 O ATOM 113 CB CYS A 9 -2.379 10.156 -12.845 1.00 14.22 C ATOM 114 SG CYS A 9 -0.688 10.729 -13.204 1.00 24.54 S ATOM 0 H CYS A 9 -4.649 11.881 -11.511 1.00 25.22 H new ATOM 0 HA CYS A 9 -3.028 12.201 -12.994 1.00 24.42 H new ATOM 0 HB2 CYS A 9 -2.432 9.843 -11.802 1.00 14.22 H new ATOM 0 HB3 CYS A 9 -2.590 9.276 -13.453 1.00 14.22 H new ATOM 119 N TRP A 10 -4.521 12.157 -15.065 1.00 44.51 N ATOM 120 CA TRP A 10 -5.067 12.154 -16.418 1.00 2.35 C ATOM 121 C TRP A 10 -3.953 12.063 -17.454 1.00 44.03 C ATOM 122 O TRP A 10 -2.776 11.963 -17.107 1.00 72.23 O ATOM 123 CB TRP A 10 -5.900 13.414 -16.656 1.00 12.50 C ATOM 124 CG TRP A 10 -7.368 13.140 -16.786 1.00 1.10 C ATOM 125 CD1 TRP A 10 -8.259 12.950 -15.769 1.00 55.20 C ATOM 126 CD2 TRP A 10 -8.113 13.023 -18.003 1.00 14.12 C ATOM 127 NE1 TRP A 10 -9.514 12.722 -16.280 1.00 53.23 N ATOM 128 CE2 TRP A 10 -9.452 12.763 -17.648 1.00 65.31 C ATOM 129 CE3 TRP A 10 -7.781 13.115 -19.357 1.00 53.10 C ATOM 130 CZ2 TRP A 10 -10.454 12.593 -18.599 1.00 62.54 C ATOM 131 CZ3 TRP A 10 -8.777 12.946 -20.300 1.00 31.30 C ATOM 132 CH2 TRP A 10 -10.100 12.688 -19.918 1.00 74.40 C ATOM 0 H TRP A 10 -4.580 13.057 -14.588 1.00 44.51 H new ATOM 0 HA TRP A 10 -5.707 11.278 -16.523 1.00 2.35 H new ATOM 0 HB2 TRP A 10 -5.739 14.108 -15.831 1.00 12.50 H new ATOM 0 HB3 TRP A 10 -5.548 13.908 -17.562 1.00 12.50 H new ATOM 0 HD1 TRP A 10 -8.013 12.975 -14.718 1.00 55.20 H new ATOM 0 HE1 TRP A 10 -10.356 12.550 -15.730 1.00 53.23 H new ATOM 0 HE3 TRP A 10 -6.764 13.315 -19.661 1.00 53.10 H new ATOM 0 HZ2 TRP A 10 -11.474 12.393 -18.307 1.00 62.54 H new ATOM 0 HZ3 TRP A 10 -8.531 13.014 -21.349 1.00 31.30 H new ATOM 0 HH2 TRP A 10 -10.856 12.562 -20.679 1.00 74.40 H new ATOM 143 N ALA A 11 -4.331 12.099 -18.728 1.00 22.42 N ATOM 144 CA ALA A 11 -3.363 12.022 -19.815 1.00 4.13 C ATOM 145 C ALA A 11 -2.703 13.375 -20.058 1.00 45.11 C ATOM 146 O ALA A 11 -3.383 14.390 -20.210 1.00 33.13 O ATOM 147 CB ALA A 11 -4.034 11.524 -21.086 1.00 12.12 C ATOM 0 H ALA A 11 -5.301 12.181 -19.032 1.00 22.42 H new ATOM 0 HA ALA A 11 -2.586 11.314 -19.527 1.00 4.13 H new ATOM 0 HB1 ALA A 11 -3.299 11.472 -21.889 1.00 12.12 H new ATOM 0 HB2 ALA A 11 -4.453 10.533 -20.912 1.00 12.12 H new ATOM 0 HB3 ALA A 11 -4.832 12.210 -21.369 1.00 12.12 H new ATOM 153 N ILE A 12 -1.374 13.382 -20.093 1.00 53.34 N ATOM 154 CA ILE A 12 -0.623 14.611 -20.319 1.00 13.12 C ATOM 155 C ILE A 12 -1.008 15.255 -21.647 1.00 24.52 C ATOM 156 O ILE A 12 -0.875 14.643 -22.706 1.00 43.32 O ATOM 157 CB ILE A 12 0.895 14.353 -20.306 1.00 40.24 C ATOM 158 CG1 ILE A 12 1.307 13.664 -19.004 1.00 12.22 C ATOM 159 CG2 ILE A 12 1.655 15.659 -20.485 1.00 25.22 C ATOM 160 CD1 ILE A 12 1.098 14.521 -17.775 1.00 4.31 C ATOM 0 H ILE A 12 -0.796 12.551 -19.968 1.00 53.34 H new ATOM 0 HA ILE A 12 -0.875 15.289 -19.504 1.00 13.12 H new ATOM 0 HB ILE A 12 1.144 13.693 -21.137 1.00 40.24 H new ATOM 0 HG12 ILE A 12 0.737 12.741 -18.895 1.00 12.22 H new ATOM 0 HG13 ILE A 12 2.359 13.384 -19.067 1.00 12.22 H new ATOM 0 HG21 ILE A 12 2.727 15.461 -20.474 1.00 25.22 H new ATOM 0 HG22 ILE A 12 1.380 16.113 -21.437 1.00 25.22 H new ATOM 0 HG23 ILE A 12 1.404 16.341 -19.672 1.00 25.22 H new ATOM 0 HD11 ILE A 12 1.411 13.969 -16.889 1.00 4.31 H new ATOM 0 HD12 ILE A 12 1.689 15.433 -17.862 1.00 4.31 H new ATOM 0 HD13 ILE A 12 0.043 14.780 -17.687 1.00 4.31 H new ATOM 172 N GLY A 13 -1.484 16.494 -21.582 1.00 4.41 N ATOM 173 CA GLY A 13 -1.878 17.201 -22.786 1.00 53.51 C ATOM 174 C GLY A 13 -3.380 17.381 -22.887 1.00 71.45 C ATOM 175 O GLY A 13 -3.864 18.213 -23.655 1.00 1.41 O ATOM 0 H GLY A 13 -1.604 17.021 -20.717 1.00 4.41 H new ATOM 0 HA2 GLY A 13 -1.396 18.178 -22.804 1.00 53.51 H new ATOM 0 HA3 GLY A 13 -1.521 16.654 -23.658 1.00 53.51 H new ATOM 179 N THR A 14 -4.122 16.596 -22.112 1.00 61.30 N ATOM 180 CA THR A 14 -5.577 16.669 -22.120 1.00 14.23 C ATOM 181 C THR A 14 -6.084 17.649 -21.068 1.00 10.14 C ATOM 182 O THR A 14 -5.313 18.153 -20.250 1.00 61.21 O ATOM 183 CB THR A 14 -6.211 15.288 -21.866 1.00 40.30 C ATOM 184 OG1 THR A 14 -5.225 14.261 -22.018 1.00 42.45 O ATOM 185 CG2 THR A 14 -7.364 15.037 -22.826 1.00 12.41 C ATOM 0 H THR A 14 -3.738 15.902 -21.471 1.00 61.30 H new ATOM 0 HA THR A 14 -5.870 17.018 -23.110 1.00 14.23 H new ATOM 0 HB THR A 14 -6.598 15.272 -20.847 1.00 40.30 H new ATOM 0 HG1 THR A 14 -4.651 14.238 -21.224 1.00 42.45 H new ATOM 0 HG21 THR A 14 -7.796 14.056 -22.628 1.00 12.41 H new ATOM 0 HG22 THR A 14 -8.126 15.804 -22.687 1.00 12.41 H new ATOM 0 HG23 THR A 14 -6.997 15.071 -23.852 1.00 12.41 H new ATOM 193 N THR A 15 -7.386 17.916 -21.092 1.00 72.02 N ATOM 194 CA THR A 15 -7.996 18.836 -20.141 1.00 1.24 C ATOM 195 C THR A 15 -8.256 18.152 -18.803 1.00 45.13 C ATOM 196 O THR A 15 -8.581 16.966 -18.754 1.00 60.51 O ATOM 197 CB THR A 15 -9.322 19.405 -20.680 1.00 32.53 C ATOM 198 OG1 THR A 15 -9.466 19.081 -22.067 1.00 70.11 O ATOM 199 CG2 THR A 15 -9.378 20.914 -20.497 1.00 71.33 C ATOM 0 H THR A 15 -8.039 17.507 -21.761 1.00 72.02 H new ATOM 0 HA THR A 15 -7.290 19.654 -19.997 1.00 1.24 H new ATOM 0 HB THR A 15 -10.140 18.957 -20.116 1.00 32.53 H new ATOM 0 HG1 THR A 15 -10.350 18.686 -22.221 1.00 70.11 H new ATOM 0 HG21 THR A 15 -10.324 21.293 -20.885 1.00 71.33 H new ATOM 0 HG22 THR A 15 -9.298 21.155 -19.437 1.00 71.33 H new ATOM 0 HG23 THR A 15 -8.552 21.377 -21.038 1.00 71.33 H new ATOM 207 N CYS A 16 -8.110 18.907 -17.720 1.00 14.43 N ATOM 208 CA CYS A 16 -8.329 18.374 -16.381 1.00 14.34 C ATOM 209 C CYS A 16 -9.784 18.554 -15.955 1.00 3.13 C ATOM 210 O CYS A 16 -10.577 19.172 -16.664 1.00 73.03 O ATOM 211 CB CYS A 16 -7.404 19.064 -15.377 1.00 5.13 C ATOM 212 SG CYS A 16 -7.620 20.871 -15.285 1.00 63.43 S ATOM 0 H CYS A 16 -7.841 19.891 -17.743 1.00 14.43 H new ATOM 0 HA CYS A 16 -8.103 17.308 -16.400 1.00 14.34 H new ATOM 0 HB2 CYS A 16 -7.576 18.638 -14.389 1.00 5.13 H new ATOM 0 HB3 CYS A 16 -6.370 18.846 -15.643 1.00 5.13 H new ATOM 217 N SER A 17 -10.125 18.010 -14.791 1.00 73.11 N ATOM 218 CA SER A 17 -11.484 18.107 -14.272 1.00 34.24 C ATOM 219 C SER A 17 -11.476 18.277 -12.756 1.00 3.44 C ATOM 220 O SER A 17 -12.444 17.937 -12.076 1.00 13.40 O ATOM 221 CB SER A 17 -12.288 16.862 -14.651 1.00 71.45 C ATOM 222 OG SER A 17 -13.445 17.208 -15.393 1.00 31.11 O ATOM 0 H SER A 17 -9.479 17.498 -14.190 1.00 73.11 H new ATOM 0 HA SER A 17 -11.954 18.984 -14.717 1.00 34.24 H new ATOM 0 HB2 SER A 17 -11.664 16.187 -15.237 1.00 71.45 H new ATOM 0 HB3 SER A 17 -12.578 16.324 -13.748 1.00 71.45 H new ATOM 0 HG SER A 17 -13.941 16.395 -15.624 1.00 31.11 H new ATOM 228 N ASP A 18 -10.375 18.806 -12.233 1.00 0.24 N ATOM 229 CA ASP A 18 -10.239 19.024 -10.797 1.00 63.31 C ATOM 230 C ASP A 18 -10.521 17.739 -10.024 1.00 5.33 C ATOM 231 O ASP A 18 -10.542 16.650 -10.597 1.00 24.22 O ATOM 232 CB ASP A 18 -11.188 20.131 -10.335 1.00 23.50 C ATOM 233 CG ASP A 18 -11.305 21.253 -11.347 1.00 64.14 C ATOM 234 OD1 ASP A 18 -12.119 21.123 -12.285 1.00 64.13 O ATOM 235 OD2 ASP A 18 -10.581 22.261 -11.202 1.00 75.04 O ATOM 0 H ASP A 18 -9.564 19.092 -12.782 1.00 0.24 H new ATOM 0 HA ASP A 18 -9.212 19.330 -10.596 1.00 63.31 H new ATOM 0 HB2 ASP A 18 -12.175 19.706 -10.152 1.00 23.50 H new ATOM 0 HB3 ASP A 18 -10.835 20.536 -9.387 1.00 23.50 H new ATOM 240 N ASP A 19 -10.735 17.875 -8.720 1.00 33.02 N ATOM 241 CA ASP A 19 -11.016 16.726 -7.867 1.00 62.54 C ATOM 242 C ASP A 19 -9.851 15.741 -7.882 1.00 62.23 C ATOM 243 O ASP A 19 -10.051 14.526 -7.873 1.00 62.23 O ATOM 244 CB ASP A 19 -12.297 16.026 -8.324 1.00 31.24 C ATOM 245 CG ASP A 19 -13.012 15.326 -7.184 1.00 43.13 C ATOM 246 OD1 ASP A 19 -12.454 15.288 -6.067 1.00 42.44 O ATOM 247 OD2 ASP A 19 -14.129 14.817 -7.409 1.00 54.02 O ATOM 0 H ASP A 19 -10.719 18.770 -8.230 1.00 33.02 H new ATOM 0 HA ASP A 19 -11.152 17.086 -6.847 1.00 62.54 H new ATOM 0 HB2 ASP A 19 -12.967 16.758 -8.774 1.00 31.24 H new ATOM 0 HB3 ASP A 19 -12.054 15.298 -9.098 1.00 31.24 H new ATOM 252 N CYS A 20 -8.633 16.273 -7.906 1.00 74.23 N ATOM 253 CA CYS A 20 -7.436 15.442 -7.924 1.00 45.02 C ATOM 254 C CYS A 20 -7.374 14.604 -9.198 1.00 44.21 C ATOM 255 O CYS A 20 -6.665 13.599 -9.259 1.00 11.24 O ATOM 256 CB CYS A 20 -7.405 14.528 -6.698 1.00 0.14 C ATOM 257 SG CYS A 20 -5.967 14.790 -5.611 1.00 2.34 S ATOM 0 H CYS A 20 -8.450 17.276 -7.913 1.00 74.23 H new ATOM 0 HA CYS A 20 -6.568 16.100 -7.900 1.00 45.02 H new ATOM 0 HB2 CYS A 20 -8.316 14.682 -6.120 1.00 0.14 H new ATOM 0 HB3 CYS A 20 -7.410 13.490 -7.032 1.00 0.14 H new ATOM 262 N ASP A 21 -8.120 15.025 -10.213 1.00 42.42 N ATOM 263 CA ASP A 21 -8.149 14.315 -11.487 1.00 13.53 C ATOM 264 C ASP A 21 -6.746 14.189 -12.071 1.00 2.00 C ATOM 265 O ASP A 21 -6.333 13.109 -12.495 1.00 53.11 O ATOM 266 CB ASP A 21 -9.064 15.038 -12.477 1.00 11.13 C ATOM 267 CG ASP A 21 -10.492 14.531 -12.422 1.00 63.34 C ATOM 268 OD1 ASP A 21 -10.959 14.191 -11.315 1.00 54.11 O ATOM 269 OD2 ASP A 21 -11.142 14.474 -13.487 1.00 24.10 O ATOM 0 H ASP A 21 -8.713 15.854 -10.179 1.00 42.42 H new ATOM 0 HA ASP A 21 -8.540 13.313 -11.308 1.00 13.53 H new ATOM 0 HB2 ASP A 21 -9.053 16.107 -12.264 1.00 11.13 H new ATOM 0 HB3 ASP A 21 -8.675 14.910 -13.487 1.00 11.13 H new ATOM 274 N CYS A 22 -6.017 15.300 -12.091 1.00 25.40 N ATOM 275 CA CYS A 22 -4.660 15.315 -12.624 1.00 61.34 C ATOM 276 C CYS A 22 -3.638 15.057 -11.521 1.00 34.45 C ATOM 277 O CYS A 22 -3.839 15.448 -10.370 1.00 45.13 O ATOM 278 CB CYS A 22 -4.370 16.657 -13.299 1.00 63.23 C ATOM 279 SG CYS A 22 -3.261 16.540 -14.740 1.00 1.20 S ATOM 0 H CYS A 22 -6.344 16.202 -11.744 1.00 25.40 H new ATOM 0 HA CYS A 22 -4.579 14.518 -13.363 1.00 61.34 H new ATOM 0 HB2 CYS A 22 -5.313 17.104 -13.615 1.00 63.23 H new ATOM 0 HB3 CYS A 22 -3.927 17.332 -12.567 1.00 63.23 H new ATOM 284 N CYS A 23 -2.543 14.395 -11.879 1.00 1.43 N ATOM 285 CA CYS A 23 -1.489 14.084 -10.920 1.00 53.13 C ATOM 286 C CYS A 23 -1.006 15.347 -10.214 1.00 44.52 C ATOM 287 O CYS A 23 -1.210 16.467 -10.683 1.00 43.50 O ATOM 288 CB CYS A 23 -0.316 13.399 -11.625 1.00 13.44 C ATOM 289 SG CYS A 23 -0.240 11.598 -11.362 1.00 2.43 S ATOM 0 H CYS A 23 -2.362 14.063 -12.826 1.00 1.43 H new ATOM 0 HA CYS A 23 -1.900 13.406 -10.172 1.00 53.13 H new ATOM 0 HB2 CYS A 23 -0.383 13.597 -12.695 1.00 13.44 H new ATOM 0 HB3 CYS A 23 0.615 13.846 -11.276 1.00 13.44 H new ATOM 294 N PRO A 24 -0.349 15.165 -9.059 1.00 65.12 N ATOM 295 CA PRO A 24 0.179 16.278 -8.264 1.00 72.20 C ATOM 296 C PRO A 24 1.360 16.965 -8.941 1.00 12.34 C ATOM 297 O PRO A 24 1.399 18.191 -9.045 1.00 71.31 O ATOM 298 CB PRO A 24 0.625 15.604 -6.964 1.00 2.42 C ATOM 299 CG PRO A 24 0.905 14.192 -7.346 1.00 23.14 C ATOM 300 CD PRO A 24 -0.069 13.858 -8.441 1.00 32.10 C ATOM 0 HA PRO A 24 -0.562 17.064 -8.120 1.00 72.20 H new ATOM 0 HB2 PRO A 24 1.512 16.086 -6.552 1.00 2.42 H new ATOM 0 HB3 PRO A 24 -0.152 15.661 -6.202 1.00 2.42 H new ATOM 0 HG2 PRO A 24 1.933 14.077 -7.690 1.00 23.14 H new ATOM 0 HG3 PRO A 24 0.778 13.525 -6.494 1.00 23.14 H new ATOM 0 HD2 PRO A 24 0.358 13.157 -9.159 1.00 32.10 H new ATOM 0 HD3 PRO A 24 -0.975 13.398 -8.046 1.00 32.10 H new ATOM 308 N GLU A 25 2.320 16.168 -9.399 1.00 31.04 N ATOM 309 CA GLU A 25 3.502 16.702 -10.065 1.00 30.31 C ATOM 310 C GLU A 25 3.110 17.556 -11.267 1.00 12.22 C ATOM 311 O GLU A 25 3.862 18.435 -11.690 1.00 71.31 O ATOM 312 CB GLU A 25 4.420 15.563 -10.513 1.00 61.41 C ATOM 313 CG GLU A 25 3.686 14.424 -11.201 1.00 31.11 C ATOM 314 CD GLU A 25 4.502 13.789 -12.310 1.00 23.12 C ATOM 315 OE1 GLU A 25 5.173 14.535 -13.054 1.00 12.12 O ATOM 316 OE2 GLU A 25 4.471 12.547 -12.434 1.00 33.10 O ATOM 0 H GLU A 25 2.302 15.151 -9.321 1.00 31.04 H new ATOM 0 HA GLU A 25 4.036 17.331 -9.353 1.00 30.31 H new ATOM 0 HB2 GLU A 25 5.174 15.961 -11.192 1.00 61.41 H new ATOM 0 HB3 GLU A 25 4.949 15.171 -9.644 1.00 61.41 H new ATOM 0 HG2 GLU A 25 3.430 13.664 -10.463 1.00 31.11 H new ATOM 0 HG3 GLU A 25 2.749 14.797 -11.613 1.00 31.11 H new ATOM 323 N HIS A 26 1.927 17.292 -11.813 1.00 20.21 N ATOM 324 CA HIS A 26 1.434 18.036 -12.966 1.00 51.13 C ATOM 325 C HIS A 26 0.387 19.063 -12.543 1.00 64.35 C ATOM 326 O HIS A 26 0.082 19.201 -11.359 1.00 32.05 O ATOM 327 CB HIS A 26 0.839 17.080 -14.000 1.00 75.12 C ATOM 328 CG HIS A 26 1.806 16.046 -14.487 1.00 24.43 C ATOM 329 ND1 HIS A 26 2.722 16.284 -15.490 1.00 10.33 N ATOM 330 CD2 HIS A 26 1.999 14.763 -14.101 1.00 22.42 C ATOM 331 CE1 HIS A 26 3.435 15.192 -15.701 1.00 51.40 C ATOM 332 NE2 HIS A 26 3.016 14.254 -14.871 1.00 4.43 N ATOM 0 H HIS A 26 1.292 16.568 -11.475 1.00 20.21 H new ATOM 0 HA HIS A 26 2.276 18.565 -13.413 1.00 51.13 H new ATOM 0 HB2 HIS A 26 -0.026 16.580 -13.565 1.00 75.12 H new ATOM 0 HB3 HIS A 26 0.478 17.657 -14.851 1.00 75.12 H new ATOM 0 HD2 HIS A 26 1.454 14.237 -13.331 1.00 22.42 H new ATOM 0 HE1 HIS A 26 4.226 15.085 -16.428 1.00 51.40 H new ATOM 0 HE2 HIS A 26 3.387 13.306 -14.812 1.00 4.43 H new ATOM 340 N HIS A 27 -0.158 19.781 -13.520 1.00 11.22 N ATOM 341 CA HIS A 27 -1.170 20.796 -13.248 1.00 74.35 C ATOM 342 C HIS A 27 -1.898 21.193 -14.529 1.00 52.11 C ATOM 343 O HIS A 27 -1.546 20.745 -15.621 1.00 4.14 O ATOM 344 CB HIS A 27 -0.529 22.028 -12.609 1.00 74.21 C ATOM 345 CG HIS A 27 0.313 22.825 -13.557 1.00 31.20 C ATOM 346 ND1 HIS A 27 1.153 22.247 -14.486 1.00 13.15 N ATOM 347 CD2 HIS A 27 0.440 24.163 -13.718 1.00 22.33 C ATOM 348 CE1 HIS A 27 1.762 23.195 -15.175 1.00 54.22 C ATOM 349 NE2 HIS A 27 1.346 24.367 -14.729 1.00 43.01 N ATOM 0 H HIS A 27 0.084 19.679 -14.506 1.00 11.22 H new ATOM 0 HA HIS A 27 -1.896 20.373 -12.554 1.00 74.35 H new ATOM 0 HB2 HIS A 27 -1.314 22.668 -12.207 1.00 74.21 H new ATOM 0 HB3 HIS A 27 0.087 21.712 -11.767 1.00 74.21 H new ATOM 0 HD1 HIS A 27 1.283 21.244 -14.620 1.00 13.15 H new ATOM 0 HD2 HIS A 27 -0.075 24.928 -13.156 1.00 22.33 H new ATOM 0 HE1 HIS A 27 2.478 23.039 -15.968 1.00 54.22 H new ATOM 357 N CYS A 28 -2.916 22.036 -14.388 1.00 61.24 N ATOM 358 CA CYS A 28 -3.695 22.493 -15.533 1.00 23.11 C ATOM 359 C CYS A 28 -3.092 23.762 -16.129 1.00 32.11 C ATOM 360 O CYS A 28 -2.987 24.788 -15.456 1.00 24.33 O ATOM 361 CB CYS A 28 -5.145 22.749 -15.120 1.00 13.45 C ATOM 362 SG CYS A 28 -5.906 21.381 -14.187 1.00 43.43 S ATOM 0 H CYS A 28 -3.221 22.416 -13.492 1.00 61.24 H new ATOM 0 HA CYS A 28 -3.673 21.711 -16.292 1.00 23.11 H new ATOM 0 HB2 CYS A 28 -5.184 23.654 -14.514 1.00 13.45 H new ATOM 0 HB3 CYS A 28 -5.738 22.939 -16.015 1.00 13.45 H new ATOM 367 N HIS A 29 -2.699 23.685 -17.396 1.00 63.23 N ATOM 368 CA HIS A 29 -2.107 24.827 -18.084 1.00 54.11 C ATOM 369 C HIS A 29 -3.140 25.525 -18.965 1.00 23.14 C ATOM 370 O HIS A 29 -3.629 24.952 -19.939 1.00 12.15 O ATOM 371 CB HIS A 29 -0.917 24.378 -18.932 1.00 3.52 C ATOM 372 CG HIS A 29 0.194 25.382 -18.984 1.00 13.23 C ATOM 373 ND1 HIS A 29 1.495 25.084 -18.637 1.00 14.11 N ATOM 374 CD2 HIS A 29 0.192 26.686 -19.346 1.00 50.34 C ATOM 375 CE1 HIS A 29 2.245 26.162 -18.782 1.00 73.24 C ATOM 376 NE2 HIS A 29 1.478 27.148 -19.212 1.00 63.14 N ATOM 0 H HIS A 29 -2.780 22.844 -17.967 1.00 63.23 H new ATOM 0 HA HIS A 29 -1.760 25.534 -17.330 1.00 54.11 H new ATOM 0 HB2 HIS A 29 -0.530 23.440 -18.533 1.00 3.52 H new ATOM 0 HB3 HIS A 29 -1.260 24.175 -19.946 1.00 3.52 H new ATOM 0 HD2 HIS A 29 -0.662 27.257 -19.678 1.00 50.34 H new ATOM 0 HE1 HIS A 29 3.305 26.226 -18.583 1.00 73.24 H new ATOM 0 HE2 HIS A 29 1.790 28.098 -19.412 1.00 63.14 H new ATOM 384 N CYS A 30 -3.467 26.765 -18.615 1.00 61.44 N ATOM 385 CA CYS A 30 -4.442 27.541 -19.372 1.00 64.23 C ATOM 386 C CYS A 30 -3.775 28.730 -20.059 1.00 33.50 C ATOM 387 O CYS A 30 -3.900 29.877 -19.629 1.00 71.53 O ATOM 388 CB CYS A 30 -5.560 28.031 -18.451 1.00 53.21 C ATOM 389 SG CYS A 30 -6.372 26.708 -17.498 1.00 12.12 S ATOM 0 H CYS A 30 -3.071 27.254 -17.812 1.00 61.44 H new ATOM 0 HA CYS A 30 -4.869 26.894 -20.138 1.00 64.23 H new ATOM 0 HB2 CYS A 30 -5.149 28.764 -17.757 1.00 53.21 H new ATOM 0 HB3 CYS A 30 -6.311 28.545 -19.051 1.00 53.21 H new ATOM 394 N PRO A 31 -3.050 28.451 -21.152 1.00 70.14 N ATOM 395 CA PRO A 31 -2.350 29.483 -21.923 1.00 13.45 C ATOM 396 C PRO A 31 -3.312 30.398 -22.674 1.00 20.23 C ATOM 397 O PRO A 31 -4.527 30.314 -22.499 1.00 12.35 O ATOM 398 CB PRO A 31 -1.500 28.677 -22.907 1.00 74.53 C ATOM 399 CG PRO A 31 -2.220 27.380 -23.055 1.00 50.52 C ATOM 400 CD PRO A 31 -2.858 27.106 -21.721 1.00 42.33 C ATOM 0 HA PRO A 31 -1.769 30.146 -21.282 1.00 13.45 H new ATOM 0 HB2 PRO A 31 -1.408 29.190 -23.864 1.00 74.53 H new ATOM 0 HB3 PRO A 31 -0.489 28.528 -22.527 1.00 74.53 H new ATOM 0 HG2 PRO A 31 -2.972 27.438 -23.842 1.00 50.52 H new ATOM 0 HG3 PRO A 31 -1.532 26.581 -23.330 1.00 50.52 H new ATOM 0 HD2 PRO A 31 -3.805 26.577 -21.829 1.00 42.33 H new ATOM 0 HD3 PRO A 31 -2.219 26.490 -21.089 1.00 42.33 H new ATOM 408 N ALA A 32 -2.760 31.270 -23.511 1.00 22.11 N ATOM 409 CA ALA A 32 -3.569 32.198 -24.291 1.00 12.15 C ATOM 410 C ALA A 32 -3.024 32.345 -25.707 1.00 54.32 C ATOM 411 O ALA A 32 -2.152 31.587 -26.129 1.00 53.22 O ATOM 412 CB ALA A 32 -3.628 33.554 -23.602 1.00 73.41 C ATOM 0 H ALA A 32 -1.755 31.353 -23.666 1.00 22.11 H new ATOM 0 HA ALA A 32 -4.579 31.793 -24.359 1.00 12.15 H new ATOM 0 HB1 ALA A 32 -4.235 34.237 -24.195 1.00 73.41 H new ATOM 0 HB2 ALA A 32 -4.071 33.440 -22.613 1.00 73.41 H new ATOM 0 HB3 ALA A 32 -2.620 33.956 -23.504 1.00 73.41 H new ATOM 418 N GLY A 33 -3.545 33.326 -26.438 1.00 15.51 N ATOM 419 CA GLY A 33 -3.099 33.554 -27.800 1.00 14.31 C ATOM 420 C GLY A 33 -4.096 34.360 -28.609 1.00 73.44 C ATOM 421 O GLY A 33 -5.178 34.691 -28.124 1.00 52.33 O ATOM 0 H GLY A 33 -4.268 33.967 -26.111 1.00 15.51 H new ATOM 0 HA2 GLY A 33 -2.142 34.076 -27.783 1.00 14.31 H new ATOM 0 HA3 GLY A 33 -2.930 32.595 -28.289 1.00 14.31 H new ATOM 425 N LYS A 34 -3.732 34.677 -29.847 1.00 40.02 N ATOM 426 CA LYS A 34 -4.601 35.449 -30.727 1.00 13.11 C ATOM 427 C LYS A 34 -5.851 34.654 -31.092 1.00 1.03 C ATOM 428 O LYS A 34 -5.784 33.447 -31.325 1.00 44.22 O ATOM 429 CB LYS A 34 -3.849 35.849 -31.998 1.00 53.13 C ATOM 430 CG LYS A 34 -2.438 36.347 -31.739 1.00 0.11 C ATOM 431 CD LYS A 34 -2.071 37.492 -32.668 1.00 70.13 C ATOM 432 CE LYS A 34 -0.571 37.744 -32.676 1.00 51.43 C ATOM 433 NZ LYS A 34 -0.224 39.001 -33.396 1.00 11.34 N ATOM 0 H LYS A 34 -2.840 34.411 -30.264 1.00 40.02 H new ATOM 0 HA LYS A 34 -4.907 36.350 -30.195 1.00 13.11 H new ATOM 0 HB2 LYS A 34 -3.805 34.991 -32.669 1.00 53.13 H new ATOM 0 HB3 LYS A 34 -4.411 36.628 -32.513 1.00 53.13 H new ATOM 0 HG2 LYS A 34 -2.352 36.676 -30.703 1.00 0.11 H new ATOM 0 HG3 LYS A 34 -1.732 35.528 -31.873 1.00 0.11 H new ATOM 0 HD2 LYS A 34 -2.408 37.264 -33.679 1.00 70.13 H new ATOM 0 HD3 LYS A 34 -2.591 38.397 -32.355 1.00 70.13 H new ATOM 0 HE2 LYS A 34 -0.207 37.800 -31.650 1.00 51.43 H new ATOM 0 HE3 LYS A 34 -0.064 36.903 -33.149 1.00 51.43 H new ATOM 0 HZ1 LYS A 34 0.807 39.137 -33.379 1.00 11.34 H new ATOM 0 HZ2 LYS A 34 -0.549 38.937 -34.382 1.00 11.34 H new ATOM 0 HZ3 LYS A 34 -0.687 39.807 -32.930 1.00 11.34 H new ATOM 447 N TRP A 35 -6.988 35.338 -31.140 1.00 72.10 N ATOM 448 CA TRP A 35 -8.253 34.695 -31.478 1.00 61.42 C ATOM 449 C TRP A 35 -8.614 33.629 -30.449 1.00 40.30 C ATOM 450 O TRP A 35 -9.381 33.885 -29.519 1.00 63.54 O ATOM 451 CB TRP A 35 -8.174 34.069 -32.872 1.00 2.12 C ATOM 452 CG TRP A 35 -9.368 33.231 -33.215 1.00 62.31 C ATOM 453 CD1 TRP A 35 -10.671 33.637 -33.253 1.00 50.23 C ATOM 454 CD2 TRP A 35 -9.368 31.843 -33.566 1.00 62.25 C ATOM 455 NE1 TRP A 35 -11.481 32.585 -33.607 1.00 53.43 N ATOM 456 CE2 TRP A 35 -10.706 31.474 -33.806 1.00 31.33 C ATOM 457 CE3 TRP A 35 -8.368 30.876 -33.704 1.00 42.54 C ATOM 458 CZ2 TRP A 35 -11.067 30.180 -34.173 1.00 42.13 C ATOM 459 CZ3 TRP A 35 -8.728 29.593 -34.069 1.00 5.01 C ATOM 460 CH2 TRP A 35 -10.067 29.254 -34.301 1.00 13.22 C ATOM 0 H TRP A 35 -7.060 36.337 -30.949 1.00 72.10 H new ATOM 0 HA TRP A 35 -9.032 35.457 -31.473 1.00 61.42 H new ATOM 0 HB2 TRP A 35 -8.070 34.862 -33.613 1.00 2.12 H new ATOM 0 HB3 TRP A 35 -7.277 33.454 -32.936 1.00 2.12 H new ATOM 0 HD1 TRP A 35 -11.015 34.638 -33.037 1.00 50.23 H new ATOM 0 HE1 TRP A 35 -12.495 32.625 -33.706 1.00 53.43 H new ATOM 0 HE3 TRP A 35 -7.332 31.127 -33.528 1.00 42.54 H new ATOM 0 HZ2 TRP A 35 -12.099 29.916 -34.350 1.00 42.13 H new ATOM 0 HZ3 TRP A 35 -7.963 28.838 -34.177 1.00 5.01 H new ATOM 0 HH2 TRP A 35 -10.315 28.242 -34.586 1.00 13.22 H new ATOM 471 N LEU A 36 -8.058 32.435 -30.620 1.00 3.10 N ATOM 472 CA LEU A 36 -8.321 31.330 -29.705 1.00 13.23 C ATOM 473 C LEU A 36 -9.799 30.951 -29.720 1.00 64.34 C ATOM 474 O LEU A 36 -10.660 31.727 -30.135 1.00 63.44 O ATOM 475 CB LEU A 36 -7.894 31.705 -28.285 1.00 15.55 C ATOM 476 CG LEU A 36 -6.575 31.104 -27.799 1.00 72.21 C ATOM 477 CD1 LEU A 36 -5.454 31.416 -28.778 1.00 71.41 C ATOM 478 CD2 LEU A 36 -6.232 31.622 -26.410 1.00 31.41 C ATOM 0 H LEU A 36 -7.422 32.207 -31.384 1.00 3.10 H new ATOM 0 HA LEU A 36 -7.740 30.469 -30.037 1.00 13.23 H new ATOM 0 HB2 LEU A 36 -7.819 32.791 -28.225 1.00 15.55 H new ATOM 0 HB3 LEU A 36 -8.684 31.401 -27.598 1.00 15.55 H new ATOM 0 HG LEU A 36 -6.690 30.022 -27.743 1.00 72.21 H new ATOM 0 HD11 LEU A 36 -4.523 30.980 -28.416 1.00 71.41 H new ATOM 0 HD12 LEU A 36 -5.696 30.995 -29.754 1.00 71.41 H new ATOM 0 HD13 LEU A 36 -5.339 32.496 -28.867 1.00 71.41 H new ATOM 0 HD21 LEU A 36 -5.290 31.183 -26.080 1.00 31.41 H new ATOM 0 HD22 LEU A 36 -6.136 32.707 -26.440 1.00 31.41 H new ATOM 0 HD23 LEU A 36 -7.024 31.347 -25.713 1.00 31.41 H new ATOM 490 N PRO A 37 -10.101 29.729 -29.256 1.00 11.43 N ATOM 491 CA PRO A 37 -11.475 29.220 -29.203 1.00 43.22 C ATOM 492 C PRO A 37 -12.319 29.936 -28.154 1.00 25.32 C ATOM 493 O PRO A 37 -11.796 30.436 -27.159 1.00 40.50 O ATOM 494 CB PRO A 37 -11.293 27.747 -28.830 1.00 21.04 C ATOM 495 CG PRO A 37 -9.989 27.697 -28.111 1.00 20.41 C ATOM 496 CD PRO A 37 -9.125 28.752 -28.745 1.00 75.31 C ATOM 0 HA PRO A 37 -12.003 29.373 -30.144 1.00 43.22 H new ATOM 0 HB2 PRO A 37 -12.108 27.395 -28.197 1.00 21.04 H new ATOM 0 HB3 PRO A 37 -11.281 27.113 -29.716 1.00 21.04 H new ATOM 0 HG2 PRO A 37 -10.123 27.890 -27.047 1.00 20.41 H new ATOM 0 HG3 PRO A 37 -9.531 26.712 -28.201 1.00 20.41 H new ATOM 0 HD2 PRO A 37 -8.446 29.203 -28.022 1.00 75.31 H new ATOM 0 HD3 PRO A 37 -8.511 28.341 -29.546 1.00 75.31 H new ATOM 504 N GLY A 38 -13.628 29.979 -28.383 1.00 3.44 N ATOM 505 CA GLY A 38 -14.523 30.636 -27.448 1.00 24.35 C ATOM 506 C GLY A 38 -14.340 30.142 -26.026 1.00 61.32 C ATOM 507 O GLY A 38 -14.041 30.924 -25.123 1.00 22.33 O ATOM 0 H GLY A 38 -14.084 29.571 -29.199 1.00 3.44 H new ATOM 0 HA2 GLY A 38 -14.352 31.712 -27.481 1.00 24.35 H new ATOM 0 HA3 GLY A 38 -15.554 30.468 -27.758 1.00 24.35 H new ATOM 511 N LEU A 39 -14.521 28.841 -25.826 1.00 13.13 N ATOM 512 CA LEU A 39 -14.376 28.243 -24.503 1.00 12.20 C ATOM 513 C LEU A 39 -12.907 28.002 -24.172 1.00 43.55 C ATOM 514 O LEU A 39 -12.238 27.196 -24.820 1.00 1.53 O ATOM 515 CB LEU A 39 -15.150 26.926 -24.430 1.00 23.54 C ATOM 516 CG LEU A 39 -16.495 26.977 -23.705 1.00 74.34 C ATOM 517 CD1 LEU A 39 -17.610 26.480 -24.614 1.00 4.53 C ATOM 518 CD2 LEU A 39 -16.443 26.156 -22.425 1.00 15.11 C ATOM 0 H LEU A 39 -14.768 28.180 -26.563 1.00 13.13 H new ATOM 0 HA LEU A 39 -14.785 28.939 -23.770 1.00 12.20 H new ATOM 0 HB2 LEU A 39 -15.321 26.572 -25.446 1.00 23.54 H new ATOM 0 HB3 LEU A 39 -14.521 26.185 -23.936 1.00 23.54 H new ATOM 0 HG LEU A 39 -16.704 28.013 -23.440 1.00 74.34 H new ATOM 0 HD11 LEU A 39 -18.560 26.523 -24.081 1.00 4.53 H new ATOM 0 HD12 LEU A 39 -17.663 27.109 -25.502 1.00 4.53 H new ATOM 0 HD13 LEU A 39 -17.407 25.451 -24.910 1.00 4.53 H new ATOM 0 HD21 LEU A 39 -17.409 26.204 -21.922 1.00 15.11 H new ATOM 0 HD22 LEU A 39 -16.211 25.119 -22.667 1.00 15.11 H new ATOM 0 HD23 LEU A 39 -15.672 26.556 -21.767 1.00 15.11 H new ATOM 530 N PHE A 40 -12.411 28.705 -23.160 1.00 5.34 N ATOM 531 CA PHE A 40 -11.020 28.567 -22.742 1.00 13.32 C ATOM 532 C PHE A 40 -10.728 27.140 -22.287 1.00 50.24 C ATOM 533 O PHE A 40 -11.366 26.627 -21.368 1.00 52.21 O ATOM 534 CB PHE A 40 -10.705 29.549 -21.611 1.00 55.12 C ATOM 535 CG PHE A 40 -11.211 30.940 -21.867 1.00 44.23 C ATOM 536 CD1 PHE A 40 -10.878 31.608 -23.035 1.00 12.00 C ATOM 537 CD2 PHE A 40 -12.018 31.580 -20.941 1.00 31.22 C ATOM 538 CE1 PHE A 40 -11.341 32.888 -23.273 1.00 10.44 C ATOM 539 CE2 PHE A 40 -12.484 32.860 -21.173 1.00 53.12 C ATOM 540 CZ PHE A 40 -12.146 33.515 -22.341 1.00 71.22 C ATOM 0 H PHE A 40 -12.951 29.376 -22.614 1.00 5.34 H new ATOM 0 HA PHE A 40 -10.385 28.794 -23.599 1.00 13.32 H new ATOM 0 HB2 PHE A 40 -11.142 29.177 -20.685 1.00 55.12 H new ATOM 0 HB3 PHE A 40 -9.626 29.585 -21.462 1.00 55.12 H new ATOM 0 HD1 PHE A 40 -10.250 31.123 -23.767 1.00 12.00 H new ATOM 0 HD2 PHE A 40 -12.286 31.072 -20.026 1.00 31.22 H new ATOM 0 HE1 PHE A 40 -11.074 33.398 -24.187 1.00 10.44 H new ATOM 0 HE2 PHE A 40 -13.112 33.348 -20.442 1.00 53.12 H new ATOM 0 HZ PHE A 40 -12.510 34.515 -22.526 1.00 71.22 H new ATOM 550 N ARG A 41 -9.759 26.505 -22.939 1.00 35.11 N ATOM 551 CA ARG A 41 -9.383 25.137 -22.604 1.00 33.30 C ATOM 552 C ARG A 41 -8.015 25.099 -21.930 1.00 62.31 C ATOM 553 O ARG A 41 -7.262 26.073 -21.973 1.00 34.52 O ATOM 554 CB ARG A 41 -9.368 24.267 -23.862 1.00 74.31 C ATOM 555 CG ARG A 41 -10.658 23.493 -24.083 1.00 51.20 C ATOM 556 CD ARG A 41 -10.383 22.034 -24.409 1.00 74.52 C ATOM 557 NE ARG A 41 -11.606 21.234 -24.414 1.00 43.44 N ATOM 558 CZ ARG A 41 -11.620 19.914 -24.557 1.00 62.23 C ATOM 559 NH1 ARG A 41 -10.483 19.248 -24.705 1.00 71.44 N ATOM 560 NH2 ARG A 41 -12.773 19.257 -24.552 1.00 23.13 N ATOM 0 H ARG A 41 -9.221 26.916 -23.702 1.00 35.11 H new ATOM 0 HA ARG A 41 -10.123 24.744 -21.907 1.00 33.30 H new ATOM 0 HB2 ARG A 41 -9.181 24.900 -24.729 1.00 74.31 H new ATOM 0 HB3 ARG A 41 -8.538 23.563 -23.797 1.00 74.31 H new ATOM 0 HG2 ARG A 41 -11.279 23.556 -23.190 1.00 51.20 H new ATOM 0 HG3 ARG A 41 -11.222 23.949 -24.897 1.00 51.20 H new ATOM 0 HD2 ARG A 41 -9.901 21.965 -25.384 1.00 74.52 H new ATOM 0 HD3 ARG A 41 -9.685 21.625 -23.679 1.00 74.52 H new ATOM 0 HE ARG A 41 -12.498 21.716 -24.301 1.00 43.44 H new ATOM 0 HH11 ARG A 41 -9.595 19.750 -24.709 1.00 71.44 H new ATOM 0 HH12 ARG A 41 -10.496 18.234 -24.815 1.00 71.44 H new ATOM 0 HH21 ARG A 41 -13.650 19.766 -24.438 1.00 23.13 H new ATOM 0 HH22 ARG A 41 -12.783 18.243 -24.662 1.00 23.13 H new ATOM 574 N CYS A 42 -7.699 23.968 -21.308 1.00 22.13 N ATOM 575 CA CYS A 42 -6.422 23.802 -20.624 1.00 12.04 C ATOM 576 C CYS A 42 -5.860 22.402 -20.853 1.00 31.02 C ATOM 577 O CYS A 42 -6.593 21.475 -21.198 1.00 33.40 O ATOM 578 CB CYS A 42 -6.586 24.059 -19.124 1.00 71.52 C ATOM 579 SG CYS A 42 -7.471 25.600 -18.726 1.00 2.40 S ATOM 0 H CYS A 42 -8.310 23.153 -21.264 1.00 22.13 H new ATOM 0 HA CYS A 42 -5.721 24.528 -21.036 1.00 12.04 H new ATOM 0 HB2 CYS A 42 -7.121 23.220 -18.679 1.00 71.52 H new ATOM 0 HB3 CYS A 42 -5.599 24.089 -18.661 1.00 71.52 H new ATOM 584 N THR A 43 -4.553 22.256 -20.658 1.00 71.31 N ATOM 585 CA THR A 43 -3.892 20.970 -20.844 1.00 42.40 C ATOM 586 C THR A 43 -3.070 20.593 -19.617 1.00 65.53 C ATOM 587 O THR A 43 -2.471 21.452 -18.970 1.00 22.13 O ATOM 588 CB THR A 43 -2.972 20.985 -22.080 1.00 12.23 C ATOM 589 OG1 THR A 43 -2.057 22.083 -21.996 1.00 3.11 O ATOM 590 CG2 THR A 43 -3.787 21.095 -23.360 1.00 32.45 C ATOM 0 H THR A 43 -3.931 23.012 -20.371 1.00 71.31 H new ATOM 0 HA THR A 43 -4.677 20.229 -20.994 1.00 42.40 H new ATOM 0 HB THR A 43 -2.415 20.049 -22.102 1.00 12.23 H new ATOM 0 HG1 THR A 43 -1.475 22.085 -22.784 1.00 3.11 H new ATOM 0 HG21 THR A 43 -3.116 21.104 -24.219 1.00 32.45 H new ATOM 0 HG22 THR A 43 -4.462 20.243 -23.436 1.00 32.45 H new ATOM 0 HG23 THR A 43 -4.367 22.017 -23.344 1.00 32.45 H new ATOM 598 N CYS A 44 -3.044 19.302 -19.303 1.00 24.22 N ATOM 599 CA CYS A 44 -2.294 18.809 -18.153 1.00 53.13 C ATOM 600 C CYS A 44 -0.811 18.677 -18.487 1.00 71.10 C ATOM 601 O CYS A 44 -0.433 17.932 -19.390 1.00 63.24 O ATOM 602 CB CYS A 44 -2.848 17.458 -17.698 1.00 74.31 C ATOM 603 SG CYS A 44 -3.983 17.560 -16.277 1.00 14.02 S ATOM 0 H CYS A 44 -3.534 18.578 -19.829 1.00 24.22 H new ATOM 0 HA CYS A 44 -2.403 19.530 -17.343 1.00 53.13 H new ATOM 0 HB2 CYS A 44 -3.370 16.991 -18.533 1.00 74.31 H new ATOM 0 HB3 CYS A 44 -2.015 16.805 -17.438 1.00 74.31 H new ATOM 608 N GLN A 45 0.022 19.405 -17.751 1.00 45.02 N ATOM 609 CA GLN A 45 1.464 19.369 -17.969 1.00 53.15 C ATOM 610 C GLN A 45 2.216 19.399 -16.643 1.00 41.42 C ATOM 611 O GLN A 45 1.634 19.671 -15.593 1.00 54.12 O ATOM 612 CB GLN A 45 1.898 20.548 -18.843 1.00 30.52 C ATOM 613 CG GLN A 45 1.450 20.430 -20.291 1.00 33.54 C ATOM 614 CD GLN A 45 1.782 19.080 -20.896 1.00 74.02 C ATOM 615 OE1 GLN A 45 2.792 18.465 -20.554 1.00 71.31 O ATOM 616 NE2 GLN A 45 0.930 18.612 -21.801 1.00 64.44 N ATOM 0 H GLN A 45 -0.276 20.027 -16.999 1.00 45.02 H new ATOM 0 HA GLN A 45 1.706 18.438 -18.481 1.00 53.15 H new ATOM 0 HB2 GLN A 45 1.496 21.469 -18.421 1.00 30.52 H new ATOM 0 HB3 GLN A 45 2.984 20.631 -18.813 1.00 30.52 H new ATOM 0 HG2 GLN A 45 0.374 20.595 -20.349 1.00 33.54 H new ATOM 0 HG3 GLN A 45 1.925 21.215 -20.880 1.00 33.54 H new ATOM 0 HE21 GLN A 45 0.105 19.156 -22.054 1.00 64.44 H new ATOM 0 HE22 GLN A 45 1.101 17.709 -22.243 1.00 64.44 H new ATOM 625 N VAL A 46 3.514 19.118 -16.698 1.00 41.33 N ATOM 626 CA VAL A 46 4.347 19.114 -15.501 1.00 51.04 C ATOM 627 C VAL A 46 4.328 20.475 -14.814 1.00 65.23 C ATOM 628 O VAL A 46 4.105 21.503 -15.454 1.00 14.34 O ATOM 629 CB VAL A 46 5.803 18.738 -15.832 1.00 63.14 C ATOM 630 CG1 VAL A 46 6.597 18.501 -14.557 1.00 32.54 C ATOM 631 CG2 VAL A 46 5.845 17.512 -16.732 1.00 63.01 C ATOM 0 H VAL A 46 4.012 18.890 -17.559 1.00 41.33 H new ATOM 0 HA VAL A 46 3.931 18.365 -14.828 1.00 51.04 H new ATOM 0 HB VAL A 46 6.262 19.569 -16.367 1.00 63.14 H new ATOM 0 HG11 VAL A 46 7.623 18.236 -14.811 1.00 32.54 H new ATOM 0 HG12 VAL A 46 6.595 19.409 -13.953 1.00 32.54 H new ATOM 0 HG13 VAL A 46 6.142 17.688 -13.991 1.00 32.54 H new ATOM 0 HG21 VAL A 46 6.882 17.260 -16.956 1.00 63.01 H new ATOM 0 HG22 VAL A 46 5.369 16.672 -16.226 1.00 63.01 H new ATOM 0 HG23 VAL A 46 5.314 17.724 -17.660 1.00 63.01 H new ATOM 641 N THR A 47 4.566 20.474 -13.506 1.00 40.52 N ATOM 642 CA THR A 47 4.576 21.709 -12.731 1.00 23.51 C ATOM 643 C THR A 47 5.787 22.566 -13.079 1.00 43.51 C ATOM 644 O THR A 47 6.808 22.522 -12.393 1.00 52.40 O ATOM 645 CB THR A 47 4.583 21.421 -11.218 1.00 10.24 C ATOM 646 OG1 THR A 47 5.469 20.334 -10.929 1.00 73.43 O ATOM 647 CG2 THR A 47 3.183 21.087 -10.724 1.00 64.42 C ATOM 0 H THR A 47 4.754 19.632 -12.961 1.00 40.52 H new ATOM 0 HA THR A 47 3.665 22.251 -12.987 1.00 23.51 H new ATOM 0 HB THR A 47 4.929 22.317 -10.702 1.00 10.24 H new ATOM 0 HG1 THR A 47 4.951 19.508 -10.829 1.00 73.43 H new ATOM 0 HG21 THR A 47 3.213 20.887 -9.653 1.00 64.42 H new ATOM 0 HG22 THR A 47 2.518 21.929 -10.918 1.00 64.42 H new ATOM 0 HG23 THR A 47 2.813 20.205 -11.247 1.00 64.42 H new ATOM 655 N GLU A 48 5.666 23.347 -14.149 1.00 23.43 N ATOM 656 CA GLU A 48 6.753 24.215 -14.587 1.00 32.21 C ATOM 657 C GLU A 48 6.353 25.683 -14.479 1.00 52.52 C ATOM 658 O GLU A 48 7.142 26.523 -14.047 1.00 24.25 O ATOM 659 CB GLU A 48 7.148 23.887 -16.028 1.00 73.24 C ATOM 660 CG GLU A 48 7.283 22.398 -16.299 1.00 30.24 C ATOM 661 CD GLU A 48 8.206 22.098 -17.464 1.00 30.23 C ATOM 662 OE1 GLU A 48 8.617 23.053 -18.155 1.00 43.11 O ATOM 663 OE2 GLU A 48 8.517 20.909 -17.684 1.00 73.34 O ATOM 0 H GLU A 48 4.827 23.396 -14.727 1.00 23.43 H new ATOM 0 HA GLU A 48 7.609 24.040 -13.935 1.00 32.21 H new ATOM 0 HB2 GLU A 48 6.402 24.304 -16.704 1.00 73.24 H new ATOM 0 HB3 GLU A 48 8.095 24.376 -16.257 1.00 73.24 H new ATOM 0 HG2 GLU A 48 7.660 21.903 -15.404 1.00 30.24 H new ATOM 0 HG3 GLU A 48 6.298 21.979 -16.504 1.00 30.24 H new ATOM 670 N SER A 49 5.121 25.986 -14.877 1.00 30.13 N ATOM 671 CA SER A 49 4.617 27.353 -14.829 1.00 55.34 C ATOM 672 C SER A 49 4.497 27.839 -13.388 1.00 22.30 C ATOM 673 O SER A 49 4.980 27.189 -12.460 1.00 72.24 O ATOM 674 CB SER A 49 3.256 27.442 -15.524 1.00 21.24 C ATOM 675 OG SER A 49 3.127 28.658 -16.240 1.00 21.32 O ATOM 0 H SER A 49 4.454 25.303 -15.236 1.00 30.13 H new ATOM 0 HA SER A 49 5.327 27.994 -15.352 1.00 55.34 H new ATOM 0 HB2 SER A 49 3.137 26.600 -16.206 1.00 21.24 H new ATOM 0 HB3 SER A 49 2.460 27.367 -14.783 1.00 21.24 H new ATOM 0 HG SER A 49 2.250 28.689 -16.676 1.00 21.32 H new ATOM 681 N ASP A 50 3.851 28.985 -13.208 1.00 50.44 N ATOM 682 CA ASP A 50 3.666 29.559 -11.880 1.00 43.14 C ATOM 683 C ASP A 50 2.344 29.104 -11.271 1.00 22.42 C ATOM 684 O ASP A 50 1.606 29.902 -10.694 1.00 1.43 O ATOM 685 CB ASP A 50 3.711 31.086 -11.951 1.00 14.34 C ATOM 686 CG ASP A 50 4.855 31.594 -12.806 1.00 20.32 C ATOM 687 OD1 ASP A 50 5.966 31.032 -12.704 1.00 15.13 O ATOM 688 OD2 ASP A 50 4.640 32.553 -13.576 1.00 64.15 O ATOM 0 H ASP A 50 3.446 29.536 -13.965 1.00 50.44 H new ATOM 0 HA ASP A 50 4.478 29.209 -11.243 1.00 43.14 H new ATOM 0 HB2 ASP A 50 2.768 31.456 -12.354 1.00 14.34 H new ATOM 0 HB3 ASP A 50 3.807 31.491 -10.943 1.00 14.34 H new ATOM 693 N LYS A 51 2.050 27.815 -11.404 1.00 23.35 N ATOM 694 CA LYS A 51 0.817 27.251 -10.866 1.00 45.22 C ATOM 695 C LYS A 51 1.019 25.797 -10.453 1.00 73.32 C ATOM 696 O LYS A 51 1.595 25.004 -11.198 1.00 32.52 O ATOM 697 CB LYS A 51 -0.305 27.348 -11.902 1.00 34.25 C ATOM 698 CG LYS A 51 -0.776 28.769 -12.158 1.00 1.13 C ATOM 699 CD LYS A 51 -2.258 28.815 -12.488 1.00 73.32 C ATOM 700 CE LYS A 51 -2.818 30.221 -12.344 1.00 54.52 C ATOM 701 NZ LYS A 51 -3.383 30.457 -10.987 1.00 10.54 N ATOM 0 H LYS A 51 2.649 27.141 -11.880 1.00 23.35 H new ATOM 0 HA LYS A 51 0.538 27.825 -9.982 1.00 45.22 H new ATOM 0 HB2 LYS A 51 0.040 26.914 -12.840 1.00 34.25 H new ATOM 0 HB3 LYS A 51 -1.151 26.749 -11.566 1.00 34.25 H new ATOM 0 HG2 LYS A 51 -0.579 29.382 -11.279 1.00 1.13 H new ATOM 0 HG3 LYS A 51 -0.206 29.199 -12.981 1.00 1.13 H new ATOM 0 HD2 LYS A 51 -2.416 28.462 -13.507 1.00 73.32 H new ATOM 0 HD3 LYS A 51 -2.800 28.137 -11.828 1.00 73.32 H new ATOM 0 HE2 LYS A 51 -2.030 30.948 -12.540 1.00 54.52 H new ATOM 0 HE3 LYS A 51 -3.593 30.381 -13.093 1.00 54.52 H new ATOM 0 HZ1 LYS A 51 -3.754 31.427 -10.929 1.00 10.54 H new ATOM 0 HZ2 LYS A 51 -4.152 29.780 -10.809 1.00 10.54 H new ATOM 0 HZ3 LYS A 51 -2.637 30.329 -10.273 1.00 10.54 H new ATOM 715 N VAL A 52 0.539 25.453 -9.262 1.00 60.42 N ATOM 716 CA VAL A 52 0.664 24.093 -8.752 1.00 21.35 C ATOM 717 C VAL A 52 -0.706 23.469 -8.507 1.00 44.25 C ATOM 718 O VAL A 52 -1.655 24.158 -8.136 1.00 60.15 O ATOM 719 CB VAL A 52 1.473 24.057 -7.441 1.00 51.32 C ATOM 720 CG1 VAL A 52 2.924 24.432 -7.699 1.00 43.41 C ATOM 721 CG2 VAL A 52 0.850 24.982 -6.406 1.00 44.23 C ATOM 0 H VAL A 52 0.060 26.097 -8.633 1.00 60.42 H new ATOM 0 HA VAL A 52 1.192 23.518 -9.513 1.00 21.35 H new ATOM 0 HB VAL A 52 1.450 23.041 -7.047 1.00 51.32 H new ATOM 0 HG11 VAL A 52 3.480 24.401 -6.762 1.00 43.41 H new ATOM 0 HG12 VAL A 52 3.362 23.726 -8.404 1.00 43.41 H new ATOM 0 HG13 VAL A 52 2.971 25.438 -8.116 1.00 43.41 H new ATOM 0 HG21 VAL A 52 1.434 24.944 -5.486 1.00 44.23 H new ATOM 0 HG22 VAL A 52 0.841 26.003 -6.789 1.00 44.23 H new ATOM 0 HG23 VAL A 52 -0.172 24.662 -6.201 1.00 44.23 H new ATOM 731 N ASN A 53 -0.800 22.160 -8.718 1.00 41.31 N ATOM 732 CA ASN A 53 -2.054 21.443 -8.521 1.00 32.20 C ATOM 733 C ASN A 53 -2.637 21.736 -7.142 1.00 35.20 C ATOM 734 O ASN A 53 -1.928 21.704 -6.136 1.00 14.30 O ATOM 735 CB ASN A 53 -1.836 19.937 -8.685 1.00 50.45 C ATOM 736 CG ASN A 53 -3.141 19.175 -8.812 1.00 24.51 C ATOM 737 OD1 ASN A 53 -4.210 19.696 -8.497 1.00 34.24 O ATOM 738 ND2 ASN A 53 -3.057 17.933 -9.275 1.00 31.30 N ATOM 0 H ASN A 53 -0.023 21.575 -9.025 1.00 41.31 H new ATOM 0 HA ASN A 53 -2.762 21.785 -9.276 1.00 32.20 H new ATOM 0 HB2 ASN A 53 -1.225 19.755 -9.569 1.00 50.45 H new ATOM 0 HB3 ASN A 53 -1.279 19.558 -7.828 1.00 50.45 H new ATOM 0 HD21 ASN A 53 -3.901 17.370 -9.382 1.00 31.30 H new ATOM 0 HD22 ASN A 53 -2.148 17.542 -9.524 1.00 31.30 H new ATOM 745 N LYS A 54 -3.935 22.020 -7.103 1.00 2.23 N ATOM 746 CA LYS A 54 -4.616 22.317 -5.848 1.00 42.11 C ATOM 747 C LYS A 54 -4.610 21.103 -4.925 1.00 61.32 C ATOM 748 O LYS A 54 -4.887 21.217 -3.731 1.00 23.53 O ATOM 749 CB LYS A 54 -6.056 22.759 -6.118 1.00 20.11 C ATOM 750 CG LYS A 54 -6.816 21.824 -7.043 1.00 2.00 C ATOM 751 CD LYS A 54 -7.331 22.553 -8.273 1.00 2.35 C ATOM 752 CE LYS A 54 -6.452 22.290 -9.486 1.00 31.33 C ATOM 753 NZ LYS A 54 -7.256 21.921 -10.683 1.00 74.35 N ATOM 0 H LYS A 54 -4.536 22.051 -7.926 1.00 2.23 H new ATOM 0 HA LYS A 54 -4.080 23.128 -5.355 1.00 42.11 H new ATOM 0 HB2 LYS A 54 -6.589 22.831 -5.170 1.00 20.11 H new ATOM 0 HB3 LYS A 54 -6.045 23.758 -6.554 1.00 20.11 H new ATOM 0 HG2 LYS A 54 -6.165 21.006 -7.350 1.00 2.00 H new ATOM 0 HG3 LYS A 54 -7.653 21.380 -6.505 1.00 2.00 H new ATOM 0 HD2 LYS A 54 -8.351 22.234 -8.486 1.00 2.35 H new ATOM 0 HD3 LYS A 54 -7.367 23.624 -8.074 1.00 2.35 H new ATOM 0 HE2 LYS A 54 -5.861 23.179 -9.706 1.00 31.33 H new ATOM 0 HE3 LYS A 54 -5.750 21.488 -9.259 1.00 31.33 H new ATOM 0 HZ1 LYS A 54 -6.621 21.750 -11.488 1.00 74.35 H new ATOM 0 HZ2 LYS A 54 -7.801 21.058 -10.483 1.00 74.35 H new ATOM 0 HZ3 LYS A 54 -7.908 22.697 -10.916 1.00 74.35 H new ATOM 767 N CYS A 55 -4.291 19.941 -5.486 1.00 34.23 N ATOM 768 CA CYS A 55 -4.248 18.705 -4.714 1.00 31.05 C ATOM 769 C CYS A 55 -2.824 18.397 -4.260 1.00 31.23 C ATOM 770 O CYS A 55 -1.968 17.994 -5.048 1.00 33.23 O ATOM 771 CB CYS A 55 -4.794 17.541 -5.543 1.00 42.12 C ATOM 772 SG CYS A 55 -6.249 16.725 -4.812 1.00 53.13 S ATOM 0 H CYS A 55 -4.058 19.830 -6.473 1.00 34.23 H new ATOM 0 HA CYS A 55 -4.872 18.836 -3.830 1.00 31.05 H new ATOM 0 HB2 CYS A 55 -5.057 17.908 -6.535 1.00 42.12 H new ATOM 0 HB3 CYS A 55 -4.004 16.801 -5.675 1.00 42.12 H new ATOM 777 N PRO A 56 -2.563 18.590 -2.958 1.00 50.14 N ATOM 778 CA PRO A 56 -1.244 18.338 -2.370 1.00 14.44 C ATOM 779 C PRO A 56 -0.907 16.852 -2.317 1.00 51.20 C ATOM 780 O PRO A 56 -1.760 15.990 -2.527 1.00 71.33 O ATOM 781 CB PRO A 56 -1.373 18.908 -0.955 1.00 31.14 C ATOM 782 CG PRO A 56 -2.830 18.845 -0.652 1.00 75.11 C ATOM 783 CD PRO A 56 -3.535 19.069 -1.961 1.00 72.14 C ATOM 0 HA PRO A 56 -0.443 18.790 -2.956 1.00 14.44 H new ATOM 0 HB2 PRO A 56 -0.794 18.324 -0.239 1.00 31.14 H new ATOM 0 HB3 PRO A 56 -1.002 19.932 -0.905 1.00 31.14 H new ATOM 0 HG2 PRO A 56 -3.098 17.879 -0.225 1.00 75.11 H new ATOM 0 HG3 PRO A 56 -3.110 19.605 0.077 1.00 75.11 H new ATOM 0 HD2 PRO A 56 -4.471 18.513 -2.013 1.00 72.14 H new ATOM 0 HD3 PRO A 56 -3.779 20.121 -2.111 1.00 72.14 H new ATOM 791 N PRO A 57 0.366 16.543 -2.029 1.00 41.35 N ATOM 792 CA PRO A 57 0.845 15.161 -1.942 1.00 34.54 C ATOM 793 C PRO A 57 0.290 14.431 -0.723 1.00 14.32 C ATOM 794 O PRO A 57 -0.460 15.005 0.067 1.00 23.32 O ATOM 795 CB PRO A 57 2.363 15.317 -1.825 1.00 51.34 C ATOM 796 CG PRO A 57 2.560 16.672 -1.238 1.00 51.34 C ATOM 797 CD PRO A 57 1.436 17.520 -1.767 1.00 43.24 C ATOM 0 HA PRO A 57 0.529 14.566 -2.799 1.00 34.54 H new ATOM 0 HB2 PRO A 57 2.793 14.543 -1.188 1.00 51.34 H new ATOM 0 HB3 PRO A 57 2.846 15.233 -2.799 1.00 51.34 H new ATOM 0 HG2 PRO A 57 2.540 16.632 -0.149 1.00 51.34 H new ATOM 0 HG3 PRO A 57 3.528 17.084 -1.524 1.00 51.34 H new ATOM 0 HD2 PRO A 57 1.125 18.272 -1.042 1.00 43.24 H new ATOM 0 HD3 PRO A 57 1.726 18.051 -2.673 1.00 43.24 H new ATOM 805 N ALA A 58 0.663 13.164 -0.576 1.00 52.24 N ATOM 806 CA ALA A 58 0.204 12.358 0.548 1.00 70.22 C ATOM 807 C ALA A 58 1.163 11.205 0.824 1.00 71.21 C ATOM 808 O ALA A 58 1.395 10.359 -0.039 1.00 45.45 O ATOM 809 CB ALA A 58 -1.197 11.829 0.281 1.00 74.01 C ATOM 0 H ALA A 58 1.282 12.674 -1.222 1.00 52.24 H new ATOM 0 HA ALA A 58 0.178 12.994 1.433 1.00 70.22 H new ATOM 0 HB1 ALA A 58 -1.527 11.229 1.129 1.00 74.01 H new ATOM 0 HB2 ALA A 58 -1.881 12.666 0.141 1.00 74.01 H new ATOM 0 HB3 ALA A 58 -1.188 11.213 -0.618 1.00 74.01 H new ATOM 815 N GLU A 59 1.717 11.178 2.032 1.00 32.11 N ATOM 816 CA GLU A 59 2.652 10.129 2.420 1.00 61.52 C ATOM 817 C GLU A 59 1.908 8.863 2.836 1.00 12.11 C ATOM 818 O GLU A 59 1.923 7.860 2.124 1.00 72.13 O ATOM 819 CB GLU A 59 3.545 10.608 3.566 1.00 42.42 C ATOM 820 CG GLU A 59 2.778 10.962 4.829 1.00 54.15 C ATOM 821 CD GLU A 59 3.257 12.255 5.460 1.00 62.40 C ATOM 822 OE1 GLU A 59 2.796 13.333 5.030 1.00 64.51 O ATOM 823 OE2 GLU A 59 4.094 12.188 6.385 1.00 33.50 O ATOM 0 H GLU A 59 1.534 11.870 2.758 1.00 32.11 H new ATOM 0 HA GLU A 59 3.275 9.897 1.556 1.00 61.52 H new ATOM 0 HB2 GLU A 59 4.272 9.830 3.799 1.00 42.42 H new ATOM 0 HB3 GLU A 59 4.108 11.481 3.236 1.00 42.42 H new ATOM 0 HG2 GLU A 59 1.717 11.048 4.593 1.00 54.15 H new ATOM 0 HG3 GLU A 59 2.879 10.151 5.550 1.00 54.15 H new TER 830 GLU A 59