USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0494 (180deg=-0.0928) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -60:sc= 0.0822 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.2!) USER MOD Single : A 16 GLN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= 1.35 (180deg=0.956) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -89:sc= 0.398 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.42) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.22 (180deg=0.0826) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 43 ASN : amide:sc= 0.411 K(o=0.41,f=-1.4!) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= -0.0168 (180deg=-0.178) USER MOD Single : A 46 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.021) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.0593 (180deg=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.252 11.571 -6.471 1.00 23.51 N ATOM 2 CA MET A 1 -11.243 11.126 -5.473 1.00 35.44 C ATOM 3 C MET A 1 -11.494 9.679 -5.044 1.00 53.42 C ATOM 4 O MET A 1 -12.485 9.073 -5.448 1.00 21.15 O ATOM 5 CB MET A 1 -11.234 12.056 -4.250 1.00 23.42 C ATOM 6 CG MET A 1 -12.565 12.147 -3.517 1.00 14.14 C ATOM 7 SD MET A 1 -12.506 13.314 -2.141 1.00 54.45 S ATOM 8 CE MET A 1 -14.194 13.229 -1.544 1.00 65.21 C ATOM 0 H1 MET A 1 -12.581 12.528 -6.229 1.00 23.51 H new ATOM 0 H2 MET A 1 -11.822 11.582 -7.418 1.00 23.51 H new ATOM 0 H3 MET A 1 -13.059 10.915 -6.465 1.00 23.51 H new ATOM 0 HA MET A 1 -10.263 11.174 -5.948 1.00 35.44 H new ATOM 0 HB2 MET A 1 -10.472 11.710 -3.552 1.00 23.42 H new ATOM 0 HB3 MET A 1 -10.941 13.056 -4.571 1.00 23.42 H new ATOM 0 HG2 MET A 1 -13.343 12.452 -4.217 1.00 14.14 H new ATOM 0 HG3 MET A 1 -12.841 11.161 -3.143 1.00 14.14 H new ATOM 0 HE1 MET A 1 -14.313 13.898 -0.692 1.00 65.21 H new ATOM 0 HE2 MET A 1 -14.877 13.529 -2.339 1.00 65.21 H new ATOM 0 HE3 MET A 1 -14.421 12.208 -1.238 1.00 65.21 H new ATOM 20 N ALA A 2 -10.596 9.134 -4.217 1.00 25.21 N ATOM 21 CA ALA A 2 -10.651 7.719 -3.838 1.00 22.35 C ATOM 22 C ALA A 2 -10.520 6.830 -5.082 1.00 63.31 C ATOM 23 O ALA A 2 -11.440 6.088 -5.438 1.00 75.15 O ATOM 24 CB ALA A 2 -11.936 7.402 -3.067 1.00 31.45 C ATOM 0 H ALA A 2 -9.823 9.651 -3.798 1.00 25.21 H new ATOM 0 HA ALA A 2 -9.812 7.509 -3.175 1.00 22.35 H new ATOM 0 HB1 ALA A 2 -11.949 6.345 -2.799 1.00 31.45 H new ATOM 0 HB2 ALA A 2 -11.975 8.006 -2.161 1.00 31.45 H new ATOM 0 HB3 ALA A 2 -12.800 7.628 -3.691 1.00 31.45 H new ATOM 30 N SER A 3 -9.383 6.951 -5.761 1.00 24.30 N ATOM 31 CA SER A 3 -9.112 6.184 -6.986 1.00 71.31 C ATOM 32 C SER A 3 -8.433 4.848 -6.656 1.00 20.44 C ATOM 33 O SER A 3 -7.772 4.727 -5.625 1.00 44.04 O ATOM 34 CB SER A 3 -8.203 6.995 -7.930 1.00 31.11 C ATOM 35 OG SER A 3 -8.688 8.317 -8.114 1.00 64.32 O ATOM 0 H SER A 3 -8.626 7.576 -5.486 1.00 24.30 H new ATOM 0 HA SER A 3 -10.065 5.985 -7.476 1.00 71.31 H new ATOM 0 HB2 SER A 3 -7.193 7.031 -7.522 1.00 31.11 H new ATOM 0 HB3 SER A 3 -8.139 6.493 -8.895 1.00 31.11 H new ATOM 0 HG SER A 3 -8.088 8.805 -8.716 1.00 64.32 H new ATOM 41 N PRO A 4 -8.584 3.820 -7.518 1.00 22.13 N ATOM 42 CA PRO A 4 -7.870 2.545 -7.337 1.00 22.14 C ATOM 43 C PRO A 4 -6.344 2.733 -7.442 1.00 34.41 C ATOM 44 O PRO A 4 -5.824 3.088 -8.502 1.00 4.25 O ATOM 45 CB PRO A 4 -8.397 1.670 -8.488 1.00 63.04 C ATOM 46 CG PRO A 4 -8.912 2.640 -9.501 1.00 40.35 C ATOM 47 CD PRO A 4 -9.449 3.806 -8.715 1.00 2.35 C ATOM 0 HA PRO A 4 -8.040 2.106 -6.354 1.00 22.14 H new ATOM 0 HB2 PRO A 4 -7.606 1.046 -8.904 1.00 63.04 H new ATOM 0 HB3 PRO A 4 -9.185 0.999 -8.146 1.00 63.04 H new ATOM 0 HG2 PRO A 4 -8.119 2.957 -10.178 1.00 40.35 H new ATOM 0 HG3 PRO A 4 -9.692 2.189 -10.114 1.00 40.35 H new ATOM 0 HD2 PRO A 4 -9.379 4.738 -9.276 1.00 2.35 H new ATOM 0 HD3 PRO A 4 -10.498 3.669 -8.454 1.00 2.35 H new ATOM 55 N THR A 5 -5.633 2.490 -6.342 1.00 43.02 N ATOM 56 CA THR A 5 -4.185 2.740 -6.275 1.00 35.44 C ATOM 57 C THR A 5 -3.379 1.434 -6.273 1.00 33.33 C ATOM 58 O THR A 5 -3.686 0.505 -5.530 1.00 63.12 O ATOM 59 CB THR A 5 -3.818 3.549 -5.004 1.00 23.32 C ATOM 60 OG1 THR A 5 -4.565 4.775 -4.951 1.00 11.35 O ATOM 61 CG2 THR A 5 -2.327 3.868 -4.962 1.00 41.34 C ATOM 0 H THR A 5 -6.033 2.119 -5.480 1.00 43.02 H new ATOM 0 HA THR A 5 -3.929 3.314 -7.166 1.00 35.44 H new ATOM 0 HB THR A 5 -4.070 2.932 -4.142 1.00 23.32 H new ATOM 0 HG1 THR A 5 -4.358 5.319 -5.740 1.00 11.35 H new ATOM 0 HG21 THR A 5 -2.102 4.436 -4.059 1.00 41.34 H new ATOM 0 HG22 THR A 5 -1.756 2.939 -4.959 1.00 41.34 H new ATOM 0 HG23 THR A 5 -2.056 4.457 -5.838 1.00 41.34 H new ATOM 69 N VAL A 6 -2.341 1.373 -7.105 1.00 31.20 N ATOM 70 CA VAL A 6 -1.444 0.212 -7.146 1.00 52.22 C ATOM 71 C VAL A 6 -0.084 0.542 -6.504 1.00 11.13 C ATOM 72 O VAL A 6 0.563 1.536 -6.846 1.00 32.41 O ATOM 73 CB VAL A 6 -1.235 -0.303 -8.599 1.00 64.45 C ATOM 74 CG1 VAL A 6 -0.611 0.770 -9.490 1.00 54.51 C ATOM 75 CG2 VAL A 6 -0.396 -1.586 -8.607 1.00 34.52 C ATOM 0 H VAL A 6 -2.097 2.114 -7.762 1.00 31.20 H new ATOM 0 HA VAL A 6 -1.922 -0.581 -6.571 1.00 52.22 H new ATOM 0 HB VAL A 6 -2.216 -0.538 -9.012 1.00 64.45 H new ATOM 0 HG11 VAL A 6 -0.480 0.375 -10.497 1.00 54.51 H new ATOM 0 HG12 VAL A 6 -1.266 1.641 -9.524 1.00 54.51 H new ATOM 0 HG13 VAL A 6 0.358 1.061 -9.085 1.00 54.51 H new ATOM 0 HG21 VAL A 6 -0.263 -1.927 -9.634 1.00 34.52 H new ATOM 0 HG22 VAL A 6 0.579 -1.386 -8.162 1.00 34.52 H new ATOM 0 HG23 VAL A 6 -0.906 -2.358 -8.031 1.00 34.52 H new ATOM 85 N ILE A 7 0.338 -0.291 -5.558 1.00 4.51 N ATOM 86 CA ILE A 7 1.606 -0.087 -4.851 1.00 52.20 C ATOM 87 C ILE A 7 2.696 -1.046 -5.358 1.00 2.44 C ATOM 88 O ILE A 7 2.582 -2.265 -5.210 1.00 30.21 O ATOM 89 CB ILE A 7 1.430 -0.288 -3.324 1.00 63.43 C ATOM 90 CG1 ILE A 7 0.320 0.631 -2.783 1.00 73.12 C ATOM 91 CG2 ILE A 7 2.750 -0.031 -2.594 1.00 11.13 C ATOM 92 CD1 ILE A 7 0.039 0.444 -1.306 1.00 45.01 C ATOM 0 H ILE A 7 -0.179 -1.118 -5.260 1.00 4.51 H new ATOM 0 HA ILE A 7 1.916 0.939 -5.050 1.00 52.20 H new ATOM 0 HB ILE A 7 1.135 -1.322 -3.143 1.00 63.43 H new ATOM 0 HG12 ILE A 7 0.601 1.669 -2.962 1.00 73.12 H new ATOM 0 HG13 ILE A 7 -0.596 0.448 -3.344 1.00 73.12 H new ATOM 0 HG21 ILE A 7 2.608 -0.177 -1.523 1.00 11.13 H new ATOM 0 HG22 ILE A 7 3.508 -0.725 -2.957 1.00 11.13 H new ATOM 0 HG23 ILE A 7 3.076 0.992 -2.781 1.00 11.13 H new ATOM 0 HD11 ILE A 7 -0.754 1.125 -0.997 1.00 45.01 H new ATOM 0 HD12 ILE A 7 -0.274 -0.584 -1.122 1.00 45.01 H new ATOM 0 HD13 ILE A 7 0.942 0.656 -0.734 1.00 45.01 H new ATOM 104 N THR A 8 3.745 -0.490 -5.959 1.00 22.33 N ATOM 105 CA THR A 8 4.897 -1.284 -6.405 1.00 51.51 C ATOM 106 C THR A 8 5.923 -1.414 -5.273 1.00 41.22 C ATOM 107 O THR A 8 6.396 -0.410 -4.736 1.00 20.40 O ATOM 108 CB THR A 8 5.578 -0.651 -7.645 1.00 33.31 C ATOM 109 OG1 THR A 8 4.638 -0.546 -8.729 1.00 30.24 O ATOM 110 CG2 THR A 8 6.782 -1.475 -8.100 1.00 30.42 C ATOM 0 H THR A 8 3.825 0.509 -6.151 1.00 22.33 H new ATOM 0 HA THR A 8 4.527 -2.271 -6.681 1.00 51.51 H new ATOM 0 HB THR A 8 5.924 0.342 -7.360 1.00 33.31 H new ATOM 0 HG1 THR A 8 5.079 -0.143 -9.506 1.00 30.24 H new ATOM 0 HG21 THR A 8 7.237 -1.004 -8.971 1.00 30.42 H new ATOM 0 HG22 THR A 8 7.513 -1.528 -7.293 1.00 30.42 H new ATOM 0 HG23 THR A 8 6.456 -2.482 -8.361 1.00 30.42 H new ATOM 118 N LEU A 9 6.261 -2.648 -4.904 1.00 71.34 N ATOM 119 CA LEU A 9 7.165 -2.897 -3.776 1.00 31.41 C ATOM 120 C LEU A 9 8.636 -2.996 -4.212 1.00 4.31 C ATOM 121 O LEU A 9 8.943 -3.254 -5.377 1.00 43.52 O ATOM 122 CB LEU A 9 6.755 -4.183 -3.041 1.00 1.10 C ATOM 123 CG LEU A 9 5.296 -4.220 -2.550 1.00 12.41 C ATOM 124 CD1 LEU A 9 5.006 -5.528 -1.817 1.00 53.52 C ATOM 125 CD2 LEU A 9 4.997 -3.018 -1.655 1.00 74.14 C ATOM 0 H LEU A 9 5.924 -3.492 -5.367 1.00 71.34 H new ATOM 0 HA LEU A 9 7.079 -2.042 -3.105 1.00 31.41 H new ATOM 0 HB2 LEU A 9 6.919 -5.031 -3.706 1.00 1.10 H new ATOM 0 HB3 LEU A 9 7.414 -4.318 -2.183 1.00 1.10 H new ATOM 0 HG LEU A 9 4.641 -4.167 -3.420 1.00 12.41 H new ATOM 0 HD11 LEU A 9 3.970 -5.533 -1.478 1.00 53.52 H new ATOM 0 HD12 LEU A 9 5.172 -6.368 -2.492 1.00 53.52 H new ATOM 0 HD13 LEU A 9 5.669 -5.618 -0.957 1.00 53.52 H new ATOM 0 HD21 LEU A 9 3.961 -3.063 -1.319 1.00 74.14 H new ATOM 0 HD22 LEU A 9 5.660 -3.034 -0.790 1.00 74.14 H new ATOM 0 HD23 LEU A 9 5.156 -2.098 -2.217 1.00 74.14 H new ATOM 137 N ASN A 10 9.536 -2.801 -3.248 1.00 74.12 N ATOM 138 CA ASN A 10 10.985 -2.901 -3.466 1.00 62.25 C ATOM 139 C ASN A 10 11.352 -4.277 -4.050 1.00 51.51 C ATOM 140 O ASN A 10 12.255 -4.400 -4.881 1.00 55.11 O ATOM 141 CB ASN A 10 11.700 -2.669 -2.124 1.00 22.14 C ATOM 142 CG ASN A 10 13.209 -2.519 -2.242 1.00 62.11 C ATOM 143 OD1 ASN A 10 13.855 -3.130 -3.085 1.00 3.43 O ATOM 144 ND2 ASN A 10 13.783 -1.692 -1.393 1.00 40.43 N ATOM 0 H ASN A 10 9.282 -2.568 -2.288 1.00 74.12 H new ATOM 0 HA ASN A 10 11.302 -2.145 -4.184 1.00 62.25 H new ATOM 0 HB2 ASN A 10 11.292 -1.772 -1.657 1.00 22.14 H new ATOM 0 HB3 ASN A 10 11.480 -3.503 -1.458 1.00 22.14 H new ATOM 0 HD21 ASN A 10 14.792 -1.546 -1.426 1.00 40.43 H new ATOM 0 HD22 ASN A 10 13.219 -1.197 -0.702 1.00 40.43 H new ATOM 151 N ASP A 11 10.624 -5.298 -3.610 1.00 21.33 N ATOM 152 CA ASP A 11 10.800 -6.669 -4.095 1.00 44.52 C ATOM 153 C ASP A 11 10.418 -6.802 -5.582 1.00 2.42 C ATOM 154 O ASP A 11 10.977 -7.623 -6.310 1.00 13.15 O ATOM 155 CB ASP A 11 9.924 -7.611 -3.264 1.00 72.54 C ATOM 156 CG ASP A 11 10.036 -7.342 -1.776 1.00 73.24 C ATOM 157 OD1 ASP A 11 9.513 -6.305 -1.315 1.00 3.31 O ATOM 158 OD2 ASP A 11 10.628 -8.172 -1.056 1.00 23.34 O ATOM 0 H ASP A 11 9.893 -5.201 -2.905 1.00 21.33 H new ATOM 0 HA ASP A 11 11.853 -6.932 -3.993 1.00 44.52 H new ATOM 0 HB2 ASP A 11 8.884 -7.503 -3.573 1.00 72.54 H new ATOM 0 HB3 ASP A 11 10.211 -8.643 -3.467 1.00 72.54 H new ATOM 163 N GLY A 12 9.460 -5.986 -6.017 1.00 51.11 N ATOM 164 CA GLY A 12 8.932 -6.079 -7.377 1.00 65.11 C ATOM 165 C GLY A 12 7.431 -6.370 -7.412 1.00 65.43 C ATOM 166 O GLY A 12 6.756 -6.062 -8.395 1.00 14.13 O ATOM 0 H GLY A 12 9.034 -5.254 -5.449 1.00 51.11 H new ATOM 0 HA2 GLY A 12 9.129 -5.145 -7.903 1.00 65.11 H new ATOM 0 HA3 GLY A 12 9.462 -6.865 -7.915 1.00 65.11 H new ATOM 170 N ARG A 13 6.906 -6.958 -6.335 1.00 32.12 N ATOM 171 CA ARG A 13 5.472 -7.282 -6.238 1.00 30.20 C ATOM 172 C ARG A 13 4.595 -6.018 -6.250 1.00 54.12 C ATOM 173 O ARG A 13 4.963 -4.990 -5.685 1.00 75.13 O ATOM 174 CB ARG A 13 5.199 -8.087 -4.956 1.00 51.34 C ATOM 175 CG ARG A 13 3.719 -8.394 -4.721 1.00 60.15 C ATOM 176 CD ARG A 13 3.497 -9.187 -3.436 1.00 53.41 C ATOM 177 NE ARG A 13 2.076 -9.420 -3.170 1.00 44.14 N ATOM 178 CZ ARG A 13 1.619 -10.296 -2.317 1.00 50.20 C ATOM 179 NH1 ARG A 13 2.427 -11.071 -1.669 1.00 23.03 N ATOM 180 NH2 ARG A 13 0.345 -10.402 -2.128 1.00 74.31 N ATOM 0 H ARG A 13 7.450 -7.222 -5.513 1.00 32.12 H new ATOM 0 HA ARG A 13 5.212 -7.878 -7.113 1.00 30.20 H new ATOM 0 HB2 ARG A 13 5.752 -9.025 -5.003 1.00 51.34 H new ATOM 0 HB3 ARG A 13 5.585 -7.532 -4.101 1.00 51.34 H new ATOM 0 HG2 ARG A 13 3.158 -7.461 -4.672 1.00 60.15 H new ATOM 0 HG3 ARG A 13 3.327 -8.958 -5.567 1.00 60.15 H new ATOM 0 HD2 ARG A 13 4.013 -10.144 -3.508 1.00 53.41 H new ATOM 0 HD3 ARG A 13 3.939 -8.648 -2.598 1.00 53.41 H new ATOM 0 HE ARG A 13 1.397 -8.860 -3.686 1.00 44.14 H new ATOM 0 HH11 ARG A 13 3.433 -11.001 -1.822 1.00 23.03 H new ATOM 0 HH12 ARG A 13 2.058 -11.752 -1.005 1.00 23.03 H new ATOM 0 HH21 ARG A 13 -0.299 -9.803 -2.644 1.00 74.31 H new ATOM 0 HH22 ARG A 13 -0.017 -11.085 -1.462 1.00 74.31 H new ATOM 194 N GLU A 14 3.432 -6.102 -6.897 1.00 51.14 N ATOM 195 CA GLU A 14 2.471 -4.989 -6.916 1.00 40.32 C ATOM 196 C GLU A 14 1.158 -5.370 -6.216 1.00 21.23 C ATOM 197 O GLU A 14 0.563 -6.408 -6.513 1.00 41.42 O ATOM 198 CB GLU A 14 2.166 -4.565 -8.358 1.00 21.03 C ATOM 199 CG GLU A 14 3.364 -3.993 -9.106 1.00 31.32 C ATOM 200 CD GLU A 14 3.005 -3.558 -10.516 1.00 13.52 C ATOM 201 OE1 GLU A 14 2.314 -2.533 -10.666 1.00 45.12 O ATOM 202 OE2 GLU A 14 3.406 -4.242 -11.481 1.00 72.14 O ATOM 0 H GLU A 14 3.129 -6.927 -7.415 1.00 51.14 H new ATOM 0 HA GLU A 14 2.928 -4.158 -6.378 1.00 40.32 H new ATOM 0 HB2 GLU A 14 1.787 -5.428 -8.906 1.00 21.03 H new ATOM 0 HB3 GLU A 14 1.370 -3.820 -8.346 1.00 21.03 H new ATOM 0 HG2 GLU A 14 3.761 -3.141 -8.555 1.00 31.32 H new ATOM 0 HG3 GLU A 14 4.155 -4.742 -9.149 1.00 31.32 H new ATOM 209 N ILE A 15 0.701 -4.521 -5.297 1.00 14.01 N ATOM 210 CA ILE A 15 -0.563 -4.751 -4.583 1.00 33.31 C ATOM 211 C ILE A 15 -1.610 -3.690 -4.966 1.00 13.10 C ATOM 212 O ILE A 15 -1.337 -2.491 -4.912 1.00 43.44 O ATOM 213 CB ILE A 15 -0.357 -4.732 -3.044 1.00 40.35 C ATOM 214 CG1 ILE A 15 0.793 -5.675 -2.638 1.00 52.51 C ATOM 215 CG2 ILE A 15 -1.653 -5.127 -2.332 1.00 14.32 C ATOM 216 CD1 ILE A 15 1.082 -5.691 -1.148 1.00 13.02 C ATOM 0 H ILE A 15 1.185 -3.665 -5.026 1.00 14.01 H new ATOM 0 HA ILE A 15 -0.922 -5.737 -4.878 1.00 33.31 H new ATOM 0 HB ILE A 15 -0.089 -3.719 -2.743 1.00 40.35 H new ATOM 0 HG12 ILE A 15 0.550 -6.687 -2.961 1.00 52.51 H new ATOM 0 HG13 ILE A 15 1.697 -5.379 -3.170 1.00 52.51 H new ATOM 0 HG21 ILE A 15 -1.495 -5.110 -1.254 1.00 14.32 H new ATOM 0 HG22 ILE A 15 -2.442 -4.422 -2.595 1.00 14.32 H new ATOM 0 HG23 ILE A 15 -1.946 -6.131 -2.640 1.00 14.32 H new ATOM 0 HD11 ILE A 15 1.903 -6.378 -0.944 1.00 13.02 H new ATOM 0 HD12 ILE A 15 1.358 -4.689 -0.820 1.00 13.02 H new ATOM 0 HD13 ILE A 15 0.193 -6.018 -0.608 1.00 13.02 H new ATOM 228 N GLN A 16 -2.803 -4.134 -5.357 1.00 0.51 N ATOM 229 CA GLN A 16 -3.866 -3.219 -5.798 1.00 74.25 C ATOM 230 C GLN A 16 -4.837 -2.865 -4.660 1.00 71.24 C ATOM 231 O GLN A 16 -5.279 -3.733 -3.903 1.00 4.24 O ATOM 232 CB GLN A 16 -4.641 -3.843 -6.963 1.00 32.24 C ATOM 233 CG GLN A 16 -3.780 -4.147 -8.185 1.00 20.01 C ATOM 234 CD GLN A 16 -4.571 -4.798 -9.305 1.00 54.33 C ATOM 235 OE1 GLN A 16 -4.679 -6.017 -9.377 1.00 5.52 O ATOM 236 NE2 GLN A 16 -5.127 -3.995 -10.185 1.00 61.14 N ATOM 0 H GLN A 16 -3.062 -5.120 -5.379 1.00 0.51 H new ATOM 0 HA GLN A 16 -3.387 -2.295 -6.121 1.00 74.25 H new ATOM 0 HB2 GLN A 16 -5.110 -4.766 -6.622 1.00 32.24 H new ATOM 0 HB3 GLN A 16 -5.444 -3.167 -7.256 1.00 32.24 H new ATOM 0 HG2 GLN A 16 -3.333 -3.222 -8.550 1.00 20.01 H new ATOM 0 HG3 GLN A 16 -2.960 -4.804 -7.894 1.00 20.01 H new ATOM 0 HE21 GLN A 16 -5.017 -2.985 -10.095 1.00 61.14 H new ATOM 0 HE22 GLN A 16 -5.669 -4.382 -10.958 1.00 61.14 H new ATOM 245 N ALA A 17 -5.174 -1.582 -4.563 1.00 23.02 N ATOM 246 CA ALA A 17 -6.105 -1.081 -3.547 1.00 24.43 C ATOM 247 C ALA A 17 -7.222 -0.237 -4.184 1.00 13.13 C ATOM 248 O ALA A 17 -7.058 0.296 -5.283 1.00 34.10 O ATOM 249 CB ALA A 17 -5.346 -0.261 -2.507 1.00 75.21 C ATOM 0 H ALA A 17 -4.812 -0.858 -5.184 1.00 23.02 H new ATOM 0 HA ALA A 17 -6.571 -1.936 -3.058 1.00 24.43 H new ATOM 0 HB1 ALA A 17 -6.043 0.108 -1.755 1.00 75.21 H new ATOM 0 HB2 ALA A 17 -4.594 -0.888 -2.028 1.00 75.21 H new ATOM 0 HB3 ALA A 17 -4.858 0.583 -2.995 1.00 75.21 H new ATOM 255 N VAL A 18 -8.356 -0.122 -3.494 1.00 2.02 N ATOM 256 CA VAL A 18 -9.499 0.652 -4.007 1.00 10.23 C ATOM 257 C VAL A 18 -9.361 2.153 -3.706 1.00 50.14 C ATOM 258 O VAL A 18 -10.056 2.979 -4.302 1.00 41.12 O ATOM 259 CB VAL A 18 -10.843 0.132 -3.432 1.00 24.34 C ATOM 260 CG1 VAL A 18 -11.089 -1.312 -3.860 1.00 42.10 C ATOM 261 CG2 VAL A 18 -10.875 0.259 -1.910 1.00 72.54 C ATOM 0 H VAL A 18 -8.513 -0.551 -2.582 1.00 2.02 H new ATOM 0 HA VAL A 18 -9.499 0.515 -5.088 1.00 10.23 H new ATOM 0 HB VAL A 18 -11.644 0.750 -3.836 1.00 24.34 H new ATOM 0 HG11 VAL A 18 -12.036 -1.658 -3.446 1.00 42.10 H new ATOM 0 HG12 VAL A 18 -11.126 -1.368 -4.948 1.00 42.10 H new ATOM 0 HG13 VAL A 18 -10.280 -1.943 -3.492 1.00 42.10 H new ATOM 0 HG21 VAL A 18 -11.828 -0.113 -1.534 1.00 72.54 H new ATOM 0 HG22 VAL A 18 -10.062 -0.325 -1.479 1.00 72.54 H new ATOM 0 HG23 VAL A 18 -10.758 1.306 -1.630 1.00 72.54 H new ATOM 271 N ASP A 19 -8.471 2.497 -2.778 1.00 64.31 N ATOM 272 CA ASP A 19 -8.181 3.897 -2.451 1.00 41.13 C ATOM 273 C ASP A 19 -6.689 4.090 -2.111 1.00 35.14 C ATOM 274 O ASP A 19 -5.930 3.119 -2.044 1.00 54.31 O ATOM 275 CB ASP A 19 -9.082 4.396 -1.308 1.00 32.01 C ATOM 276 CG ASP A 19 -9.027 3.520 -0.065 1.00 71.43 C ATOM 277 OD1 ASP A 19 -8.069 3.655 0.723 1.00 4.45 O ATOM 278 OD2 ASP A 19 -9.965 2.724 0.152 1.00 1.23 O ATOM 0 H ASP A 19 -7.933 1.822 -2.234 1.00 64.31 H new ATOM 0 HA ASP A 19 -8.400 4.499 -3.333 1.00 41.13 H new ATOM 0 HB2 ASP A 19 -8.788 5.411 -1.041 1.00 32.01 H new ATOM 0 HB3 ASP A 19 -10.111 4.445 -1.663 1.00 32.01 H new ATOM 283 N THR A 20 -6.272 5.338 -1.892 1.00 55.53 N ATOM 284 CA THR A 20 -4.847 5.647 -1.673 1.00 34.13 C ATOM 285 C THR A 20 -4.398 5.303 -0.240 1.00 20.43 C ATOM 286 O THR A 20 -5.053 5.687 0.729 1.00 43.33 O ATOM 287 CB THR A 20 -4.536 7.140 -1.940 1.00 21.33 C ATOM 288 OG1 THR A 20 -5.203 7.974 -0.976 1.00 52.45 O ATOM 289 CG2 THR A 20 -4.970 7.544 -3.345 1.00 22.33 C ATOM 0 H THR A 20 -6.890 6.149 -1.861 1.00 55.53 H new ATOM 0 HA THR A 20 -4.296 5.029 -2.381 1.00 34.13 H new ATOM 0 HB THR A 20 -3.458 7.276 -1.851 1.00 21.33 H new ATOM 0 HG1 THR A 20 -4.995 8.914 -1.157 1.00 52.45 H new ATOM 0 HG21 THR A 20 -4.741 8.597 -3.508 1.00 22.33 H new ATOM 0 HG22 THR A 20 -4.437 6.939 -4.079 1.00 22.33 H new ATOM 0 HG23 THR A 20 -6.043 7.385 -3.454 1.00 22.33 H new ATOM 297 N PRO A 21 -3.252 4.600 -0.094 1.00 62.22 N ATOM 298 CA PRO A 21 -2.766 4.105 1.213 1.00 2.42 C ATOM 299 C PRO A 21 -2.496 5.215 2.249 1.00 24.10 C ATOM 300 O PRO A 21 -1.857 6.225 1.951 1.00 40.40 O ATOM 301 CB PRO A 21 -1.455 3.375 0.857 1.00 12.24 C ATOM 302 CG PRO A 21 -1.051 3.937 -0.465 1.00 41.53 C ATOM 303 CD PRO A 21 -2.336 4.230 -1.188 1.00 25.10 C ATOM 0 HA PRO A 21 -3.518 3.478 1.691 1.00 2.42 H new ATOM 0 HB2 PRO A 21 -0.688 3.549 1.612 1.00 12.24 H new ATOM 0 HB3 PRO A 21 -1.606 2.297 0.799 1.00 12.24 H new ATOM 0 HG2 PRO A 21 -0.456 4.842 -0.341 1.00 41.53 H new ATOM 0 HG3 PRO A 21 -0.440 3.227 -1.023 1.00 41.53 H new ATOM 0 HD2 PRO A 21 -2.219 5.040 -1.908 1.00 25.10 H new ATOM 0 HD3 PRO A 21 -2.696 3.362 -1.740 1.00 25.10 H new ATOM 311 N LYS A 22 -2.987 5.002 3.467 1.00 11.03 N ATOM 312 CA LYS A 22 -2.734 5.906 4.594 1.00 55.30 C ATOM 313 C LYS A 22 -1.428 5.531 5.315 1.00 12.11 C ATOM 314 O LYS A 22 -1.318 4.450 5.890 1.00 41.30 O ATOM 315 CB LYS A 22 -3.907 5.836 5.589 1.00 71.01 C ATOM 316 CG LYS A 22 -3.614 6.474 6.948 1.00 44.23 C ATOM 317 CD LYS A 22 -4.725 6.197 7.960 1.00 11.42 C ATOM 318 CE LYS A 22 -4.343 6.653 9.367 1.00 71.31 C ATOM 319 NZ LYS A 22 -3.098 5.987 9.847 1.00 11.43 N ATOM 0 H LYS A 22 -3.571 4.200 3.704 1.00 11.03 H new ATOM 0 HA LYS A 22 -2.639 6.920 4.206 1.00 55.30 H new ATOM 0 HB2 LYS A 22 -4.773 6.329 5.148 1.00 71.01 H new ATOM 0 HB3 LYS A 22 -4.178 4.791 5.741 1.00 71.01 H new ATOM 0 HG2 LYS A 22 -2.669 6.091 7.333 1.00 44.23 H new ATOM 0 HG3 LYS A 22 -3.495 7.551 6.825 1.00 44.23 H new ATOM 0 HD2 LYS A 22 -5.636 6.708 7.648 1.00 11.42 H new ATOM 0 HD3 LYS A 22 -4.947 5.130 7.972 1.00 11.42 H new ATOM 0 HE2 LYS A 22 -4.202 7.734 9.373 1.00 71.31 H new ATOM 0 HE3 LYS A 22 -5.160 6.434 10.054 1.00 71.31 H new ATOM 0 HZ1 LYS A 22 -3.026 6.089 10.880 1.00 11.43 H new ATOM 0 HZ2 LYS A 22 -3.127 4.977 9.600 1.00 11.43 H new ATOM 0 HZ3 LYS A 22 -2.272 6.430 9.397 1.00 11.43 H new ATOM 333 N TYR A 23 -0.442 6.423 5.301 1.00 62.10 N ATOM 334 CA TYR A 23 0.814 6.175 6.017 1.00 24.20 C ATOM 335 C TYR A 23 0.662 6.506 7.506 1.00 72.55 C ATOM 336 O TYR A 23 0.476 7.667 7.881 1.00 13.12 O ATOM 337 CB TYR A 23 1.963 6.997 5.413 1.00 40.43 C ATOM 338 CG TYR A 23 3.277 6.877 6.178 1.00 54.34 C ATOM 339 CD1 TYR A 23 3.925 5.649 6.307 1.00 42.33 C ATOM 340 CD2 TYR A 23 3.870 7.991 6.764 1.00 62.41 C ATOM 341 CE1 TYR A 23 5.119 5.538 6.994 1.00 34.10 C ATOM 342 CE2 TYR A 23 5.065 7.886 7.454 1.00 34.20 C ATOM 343 CZ TYR A 23 5.685 6.659 7.565 1.00 62.13 C ATOM 344 OH TYR A 23 6.878 6.554 8.249 1.00 64.52 O ATOM 0 H TYR A 23 -0.483 7.316 4.809 1.00 62.10 H new ATOM 0 HA TYR A 23 1.053 5.117 5.913 1.00 24.20 H new ATOM 0 HB2 TYR A 23 2.123 6.678 4.383 1.00 40.43 H new ATOM 0 HB3 TYR A 23 1.668 8.046 5.379 1.00 40.43 H new ATOM 0 HD1 TYR A 23 3.486 4.768 5.862 1.00 42.33 H new ATOM 0 HD2 TYR A 23 3.389 8.954 6.679 1.00 62.41 H new ATOM 0 HE1 TYR A 23 5.607 4.578 7.083 1.00 34.10 H new ATOM 0 HE2 TYR A 23 5.510 8.761 7.904 1.00 34.20 H new ATOM 0 HH TYR A 23 7.139 7.436 8.588 1.00 64.52 H new ATOM 354 N ASP A 24 0.743 5.484 8.352 1.00 61.30 N ATOM 355 CA ASP A 24 0.618 5.669 9.793 1.00 63.44 C ATOM 356 C ASP A 24 2.009 5.740 10.431 1.00 44.24 C ATOM 357 O ASP A 24 2.630 4.718 10.719 1.00 13.01 O ATOM 358 CB ASP A 24 -0.195 4.525 10.407 1.00 45.42 C ATOM 359 CG ASP A 24 -0.609 4.820 11.836 1.00 71.55 C ATOM 360 OD1 ASP A 24 -1.500 5.676 12.027 1.00 24.01 O ATOM 361 OD2 ASP A 24 -0.029 4.226 12.768 1.00 30.44 O ATOM 0 H ASP A 24 0.895 4.518 8.064 1.00 61.30 H new ATOM 0 HA ASP A 24 0.094 6.605 9.986 1.00 63.44 H new ATOM 0 HB2 ASP A 24 -1.084 4.348 9.802 1.00 45.42 H new ATOM 0 HB3 ASP A 24 0.395 3.609 10.383 1.00 45.42 H new ATOM 366 N GLU A 25 2.498 6.962 10.628 1.00 42.22 N ATOM 367 CA GLU A 25 3.857 7.188 11.132 1.00 71.51 C ATOM 368 C GLU A 25 4.052 6.625 12.544 1.00 2.13 C ATOM 369 O GLU A 25 5.146 6.183 12.904 1.00 32.30 O ATOM 370 CB GLU A 25 4.170 8.688 11.118 1.00 41.00 C ATOM 371 CG GLU A 25 5.609 9.025 11.488 1.00 41.15 C ATOM 372 CD GLU A 25 5.888 10.516 11.426 1.00 30.14 C ATOM 373 OE1 GLU A 25 6.016 11.055 10.306 1.00 54.31 O ATOM 374 OE2 GLU A 25 5.957 11.158 12.496 1.00 73.50 O ATOM 0 H GLU A 25 1.973 7.817 10.446 1.00 42.22 H new ATOM 0 HA GLU A 25 4.546 6.658 10.474 1.00 71.51 H new ATOM 0 HB2 GLU A 25 3.959 9.083 10.124 1.00 41.00 H new ATOM 0 HB3 GLU A 25 3.499 9.195 11.812 1.00 41.00 H new ATOM 0 HG2 GLU A 25 5.818 8.661 12.494 1.00 41.15 H new ATOM 0 HG3 GLU A 25 6.287 8.503 10.813 1.00 41.15 H new ATOM 381 N GLU A 26 2.981 6.635 13.334 1.00 23.44 N ATOM 382 CA GLU A 26 3.026 6.145 14.714 1.00 43.52 C ATOM 383 C GLU A 26 3.411 4.659 14.777 1.00 45.22 C ATOM 384 O GLU A 26 4.209 4.246 15.623 1.00 5.31 O ATOM 385 CB GLU A 26 1.666 6.374 15.388 1.00 51.13 C ATOM 386 CG GLU A 26 1.202 7.829 15.351 1.00 64.25 C ATOM 387 CD GLU A 26 2.189 8.780 16.016 1.00 13.22 C ATOM 388 OE1 GLU A 26 2.161 8.901 17.260 1.00 30.31 O ATOM 389 OE2 GLU A 26 3.004 9.404 15.303 1.00 2.04 O ATOM 0 H GLU A 26 2.066 6.978 13.042 1.00 23.44 H new ATOM 0 HA GLU A 26 3.795 6.703 15.247 1.00 43.52 H new ATOM 0 HB2 GLU A 26 0.918 5.750 14.899 1.00 51.13 H new ATOM 0 HB3 GLU A 26 1.725 6.046 16.426 1.00 51.13 H new ATOM 0 HG2 GLU A 26 1.054 8.132 14.315 1.00 64.25 H new ATOM 0 HG3 GLU A 26 0.235 7.910 15.848 1.00 64.25 H new ATOM 396 N SER A 27 2.833 3.856 13.887 1.00 43.44 N ATOM 397 CA SER A 27 3.177 2.429 13.795 1.00 51.35 C ATOM 398 C SER A 27 4.349 2.195 12.827 1.00 5.44 C ATOM 399 O SER A 27 5.093 1.221 12.962 1.00 72.34 O ATOM 400 CB SER A 27 1.963 1.614 13.334 1.00 72.20 C ATOM 401 OG SER A 27 1.580 1.965 12.014 1.00 45.05 O ATOM 0 H SER A 27 2.126 4.162 13.219 1.00 43.44 H new ATOM 0 HA SER A 27 3.479 2.101 14.789 1.00 51.35 H new ATOM 0 HB2 SER A 27 2.198 0.551 13.376 1.00 72.20 H new ATOM 0 HB3 SER A 27 1.129 1.783 14.015 1.00 72.20 H new ATOM 0 HG SER A 27 0.934 2.701 12.046 1.00 45.05 H new ATOM 407 N GLY A 28 4.504 3.092 11.851 1.00 75.45 N ATOM 408 CA GLY A 28 5.574 2.965 10.864 1.00 53.22 C ATOM 409 C GLY A 28 5.166 2.164 9.627 1.00 50.25 C ATOM 410 O GLY A 28 6.014 1.795 8.811 1.00 0.31 O ATOM 0 H GLY A 28 3.906 3.908 11.725 1.00 75.45 H new ATOM 0 HA2 GLY A 28 5.893 3.960 10.555 1.00 53.22 H new ATOM 0 HA3 GLY A 28 6.434 2.485 11.331 1.00 53.22 H new ATOM 414 N PHE A 29 3.869 1.887 9.491 1.00 5.43 N ATOM 415 CA PHE A 29 3.359 1.079 8.374 1.00 73.42 C ATOM 416 C PHE A 29 2.447 1.887 7.435 1.00 4.43 C ATOM 417 O PHE A 29 1.964 2.969 7.777 1.00 4.32 O ATOM 418 CB PHE A 29 2.577 -0.130 8.913 1.00 1.04 C ATOM 419 CG PHE A 29 3.357 -0.973 9.896 1.00 35.25 C ATOM 420 CD1 PHE A 29 4.382 -1.797 9.462 1.00 1.35 C ATOM 421 CD2 PHE A 29 3.067 -0.934 11.252 1.00 43.23 C ATOM 422 CE1 PHE A 29 5.104 -2.561 10.359 1.00 74.24 C ATOM 423 CE2 PHE A 29 3.784 -1.697 12.152 1.00 20.41 C ATOM 424 CZ PHE A 29 4.805 -2.511 11.704 1.00 4.54 C ATOM 0 H PHE A 29 3.149 2.209 10.138 1.00 5.43 H new ATOM 0 HA PHE A 29 4.225 0.748 7.800 1.00 73.42 H new ATOM 0 HB2 PHE A 29 1.666 0.224 9.395 1.00 1.04 H new ATOM 0 HB3 PHE A 29 2.271 -0.756 8.075 1.00 1.04 H new ATOM 0 HD1 PHE A 29 4.620 -1.843 8.410 1.00 1.35 H new ATOM 0 HD2 PHE A 29 2.270 -0.298 11.608 1.00 43.23 H new ATOM 0 HE1 PHE A 29 5.902 -3.197 10.007 1.00 74.24 H new ATOM 0 HE2 PHE A 29 3.546 -1.657 13.205 1.00 20.41 H new ATOM 0 HZ PHE A 29 5.369 -3.108 12.406 1.00 4.54 H new ATOM 434 N TYR A 30 2.218 1.342 6.245 1.00 14.10 N ATOM 435 CA TYR A 30 1.227 1.883 5.314 1.00 33.14 C ATOM 436 C TYR A 30 -0.055 1.048 5.376 1.00 13.25 C ATOM 437 O TYR A 30 -0.024 -0.164 5.166 1.00 52.21 O ATOM 438 CB TYR A 30 1.765 1.881 3.875 1.00 43.12 C ATOM 439 CG TYR A 30 2.836 2.923 3.602 1.00 41.42 C ATOM 440 CD1 TYR A 30 4.159 2.713 3.979 1.00 73.21 C ATOM 441 CD2 TYR A 30 2.521 4.114 2.953 1.00 32.04 C ATOM 442 CE1 TYR A 30 5.133 3.659 3.720 1.00 34.35 C ATOM 443 CE2 TYR A 30 3.491 5.063 2.692 1.00 41.51 C ATOM 444 CZ TYR A 30 4.794 4.831 3.077 1.00 1.25 C ATOM 445 OH TYR A 30 5.763 5.774 2.820 1.00 44.01 O ATOM 0 H TYR A 30 2.709 0.518 5.898 1.00 14.10 H new ATOM 0 HA TYR A 30 1.014 2.911 5.606 1.00 33.14 H new ATOM 0 HB2 TYR A 30 2.171 0.894 3.654 1.00 43.12 H new ATOM 0 HB3 TYR A 30 0.934 2.044 3.189 1.00 43.12 H new ATOM 0 HD1 TYR A 30 4.429 1.796 4.482 1.00 73.21 H new ATOM 0 HD2 TYR A 30 1.501 4.299 2.649 1.00 32.04 H new ATOM 0 HE1 TYR A 30 6.155 3.481 4.020 1.00 34.35 H new ATOM 0 HE2 TYR A 30 3.229 5.982 2.189 1.00 41.51 H new ATOM 0 HH TYR A 30 5.360 6.540 2.360 1.00 44.01 H new ATOM 455 N GLU A 31 -1.173 1.700 5.675 1.00 2.52 N ATOM 456 CA GLU A 31 -2.475 1.030 5.741 1.00 43.41 C ATOM 457 C GLU A 31 -3.258 1.260 4.441 1.00 24.51 C ATOM 458 O GLU A 31 -3.558 2.400 4.079 1.00 34.20 O ATOM 459 CB GLU A 31 -3.288 1.558 6.939 1.00 73.53 C ATOM 460 CG GLU A 31 -2.560 1.460 8.278 1.00 35.11 C ATOM 461 CD GLU A 31 -3.401 1.966 9.443 1.00 51.25 C ATOM 462 OE1 GLU A 31 -3.491 3.203 9.629 1.00 42.52 O ATOM 463 OE2 GLU A 31 -3.987 1.133 10.171 1.00 71.44 O ATOM 0 H GLU A 31 -1.208 2.699 5.878 1.00 2.52 H new ATOM 0 HA GLU A 31 -2.307 -0.039 5.870 1.00 43.41 H new ATOM 0 HB2 GLU A 31 -3.550 2.600 6.756 1.00 73.53 H new ATOM 0 HB3 GLU A 31 -4.223 1.001 7.004 1.00 73.53 H new ATOM 0 HG2 GLU A 31 -2.281 0.422 8.460 1.00 35.11 H new ATOM 0 HG3 GLU A 31 -1.635 2.034 8.227 1.00 35.11 H new ATOM 470 N PHE A 32 -3.587 0.181 3.739 1.00 1.52 N ATOM 471 CA PHE A 32 -4.295 0.283 2.456 1.00 40.01 C ATOM 472 C PHE A 32 -5.444 -0.725 2.362 1.00 42.14 C ATOM 473 O PHE A 32 -5.354 -1.840 2.882 1.00 41.03 O ATOM 474 CB PHE A 32 -3.314 0.083 1.289 1.00 74.52 C ATOM 475 CG PHE A 32 -2.553 -1.221 1.344 1.00 51.44 C ATOM 476 CD1 PHE A 32 -1.437 -1.357 2.160 1.00 72.31 C ATOM 477 CD2 PHE A 32 -2.956 -2.313 0.587 1.00 42.21 C ATOM 478 CE1 PHE A 32 -0.742 -2.550 2.219 1.00 73.02 C ATOM 479 CE2 PHE A 32 -2.261 -3.506 0.643 1.00 15.21 C ATOM 480 CZ PHE A 32 -1.154 -3.626 1.460 1.00 72.11 C ATOM 0 H PHE A 32 -3.378 -0.774 4.031 1.00 1.52 H new ATOM 0 HA PHE A 32 -4.726 1.282 2.394 1.00 40.01 H new ATOM 0 HB2 PHE A 32 -3.867 0.130 0.351 1.00 74.52 H new ATOM 0 HB3 PHE A 32 -2.601 0.908 1.281 1.00 74.52 H new ATOM 0 HD1 PHE A 32 -1.108 -0.519 2.756 1.00 72.31 H new ATOM 0 HD2 PHE A 32 -3.822 -2.229 -0.053 1.00 42.21 H new ATOM 0 HE1 PHE A 32 0.123 -2.640 2.859 1.00 73.02 H new ATOM 0 HE2 PHE A 32 -2.584 -4.346 0.047 1.00 15.21 H new ATOM 0 HZ PHE A 32 -0.612 -4.559 1.505 1.00 72.11 H new ATOM 490 N LYS A 33 -6.525 -0.322 1.697 1.00 10.04 N ATOM 491 CA LYS A 33 -7.683 -1.192 1.496 1.00 34.32 C ATOM 492 C LYS A 33 -7.640 -1.848 0.108 1.00 44.35 C ATOM 493 O LYS A 33 -7.866 -1.193 -0.910 1.00 63.11 O ATOM 494 CB LYS A 33 -8.983 -0.390 1.661 1.00 74.55 C ATOM 495 CG LYS A 33 -10.246 -1.243 1.557 1.00 4.51 C ATOM 496 CD LYS A 33 -11.516 -0.400 1.615 1.00 72.25 C ATOM 497 CE LYS A 33 -11.620 0.397 2.911 1.00 13.22 C ATOM 498 NZ LYS A 33 -12.860 1.217 2.961 1.00 41.24 N ATOM 0 H LYS A 33 -6.623 0.606 1.286 1.00 10.04 H new ATOM 0 HA LYS A 33 -7.653 -1.980 2.249 1.00 34.32 H new ATOM 0 HB2 LYS A 33 -8.971 0.110 2.630 1.00 74.55 H new ATOM 0 HB3 LYS A 33 -9.018 0.390 0.900 1.00 74.55 H new ATOM 0 HG2 LYS A 33 -10.227 -1.805 0.623 1.00 4.51 H new ATOM 0 HG3 LYS A 33 -10.258 -1.972 2.367 1.00 4.51 H new ATOM 0 HD2 LYS A 33 -11.535 0.285 0.767 1.00 72.25 H new ATOM 0 HD3 LYS A 33 -12.386 -1.050 1.519 1.00 72.25 H new ATOM 0 HE2 LYS A 33 -11.603 -0.287 3.760 1.00 13.22 H new ATOM 0 HE3 LYS A 33 -10.751 1.047 3.008 1.00 13.22 H new ATOM 0 HZ1 LYS A 33 -12.892 1.743 3.858 1.00 41.24 H new ATOM 0 HZ2 LYS A 33 -12.865 1.887 2.166 1.00 41.24 H new ATOM 0 HZ3 LYS A 33 -13.691 0.595 2.895 1.00 41.24 H new ATOM 512 N GLN A 34 -7.364 -3.149 0.081 1.00 22.41 N ATOM 513 CA GLN A 34 -7.257 -3.904 -1.175 1.00 11.31 C ATOM 514 C GLN A 34 -8.607 -4.014 -1.908 1.00 70.53 C ATOM 515 O GLN A 34 -9.649 -3.631 -1.378 1.00 43.03 O ATOM 516 CB GLN A 34 -6.689 -5.300 -0.886 1.00 54.52 C ATOM 517 CG GLN A 34 -5.260 -5.266 -0.355 1.00 55.24 C ATOM 518 CD GLN A 34 -4.782 -6.614 0.150 1.00 20.53 C ATOM 519 OE1 GLN A 34 -4.246 -7.418 -0.601 1.00 25.30 O ATOM 520 NE2 GLN A 34 -4.966 -6.867 1.428 1.00 13.11 N ATOM 0 H GLN A 34 -7.209 -3.710 0.918 1.00 22.41 H new ATOM 0 HA GLN A 34 -6.582 -3.360 -1.836 1.00 11.31 H new ATOM 0 HB2 GLN A 34 -7.328 -5.803 -0.160 1.00 54.52 H new ATOM 0 HB3 GLN A 34 -6.717 -5.893 -1.800 1.00 54.52 H new ATOM 0 HG2 GLN A 34 -4.593 -4.923 -1.146 1.00 55.24 H new ATOM 0 HG3 GLN A 34 -5.196 -4.538 0.454 1.00 55.24 H new ATOM 0 HE21 GLN A 34 -5.416 -6.174 2.025 1.00 13.11 H new ATOM 0 HE22 GLN A 34 -4.658 -7.756 1.821 1.00 13.11 H new ATOM 529 N LEU A 35 -8.577 -4.559 -3.126 1.00 10.34 N ATOM 530 CA LEU A 35 -9.777 -4.662 -3.975 1.00 73.25 C ATOM 531 C LEU A 35 -10.933 -5.401 -3.273 1.00 4.43 C ATOM 532 O LEU A 35 -12.105 -5.087 -3.494 1.00 64.23 O ATOM 533 CB LEU A 35 -9.425 -5.362 -5.294 1.00 40.32 C ATOM 534 CG LEU A 35 -8.328 -4.671 -6.126 1.00 1.33 C ATOM 535 CD1 LEU A 35 -8.029 -5.468 -7.392 1.00 42.42 C ATOM 536 CD2 LEU A 35 -8.730 -3.236 -6.472 1.00 25.32 C ATOM 0 H LEU A 35 -7.732 -4.939 -3.553 1.00 10.34 H new ATOM 0 HA LEU A 35 -10.121 -3.648 -4.176 1.00 73.25 H new ATOM 0 HB2 LEU A 35 -9.105 -6.380 -5.073 1.00 40.32 H new ATOM 0 HB3 LEU A 35 -10.328 -5.436 -5.901 1.00 40.32 H new ATOM 0 HG LEU A 35 -7.420 -4.633 -5.524 1.00 1.33 H new ATOM 0 HD11 LEU A 35 -7.252 -4.963 -7.965 1.00 42.42 H new ATOM 0 HD12 LEU A 35 -7.688 -6.467 -7.121 1.00 42.42 H new ATOM 0 HD13 LEU A 35 -8.933 -5.544 -7.996 1.00 42.42 H new ATOM 0 HD21 LEU A 35 -7.940 -2.768 -7.060 1.00 25.32 H new ATOM 0 HD22 LEU A 35 -9.654 -3.246 -7.050 1.00 25.32 H new ATOM 0 HD23 LEU A 35 -8.883 -2.669 -5.553 1.00 25.32 H new ATOM 548 N ASP A 36 -10.595 -6.370 -2.423 1.00 60.14 N ATOM 549 CA ASP A 36 -11.598 -7.147 -1.676 1.00 44.11 C ATOM 550 C ASP A 36 -12.044 -6.422 -0.392 1.00 52.54 C ATOM 551 O ASP A 36 -12.731 -6.997 0.450 1.00 21.22 O ATOM 552 CB ASP A 36 -11.015 -8.513 -1.306 1.00 42.14 C ATOM 553 CG ASP A 36 -10.276 -9.151 -2.461 1.00 51.01 C ATOM 554 OD1 ASP A 36 -10.921 -9.834 -3.283 1.00 53.02 O ATOM 555 OD2 ASP A 36 -9.047 -8.954 -2.559 1.00 52.50 O ATOM 0 H ASP A 36 -9.631 -6.641 -2.230 1.00 60.14 H new ATOM 0 HA ASP A 36 -12.471 -7.267 -2.318 1.00 44.11 H new ATOM 0 HB2 ASP A 36 -10.336 -8.399 -0.461 1.00 42.14 H new ATOM 0 HB3 ASP A 36 -11.819 -9.174 -0.982 1.00 42.14 H new ATOM 560 N GLY A 37 -11.636 -5.165 -0.242 1.00 11.03 N ATOM 561 CA GLY A 37 -11.930 -4.420 0.978 1.00 31.13 C ATOM 562 C GLY A 37 -10.972 -4.749 2.123 1.00 34.53 C ATOM 563 O GLY A 37 -11.119 -4.234 3.232 1.00 32.23 O ATOM 0 H GLY A 37 -11.106 -4.645 -0.942 1.00 11.03 H new ATOM 0 HA2 GLY A 37 -11.881 -3.352 0.766 1.00 31.13 H new ATOM 0 HA3 GLY A 37 -12.951 -4.636 1.292 1.00 31.13 H new ATOM 567 N LYS A 38 -9.980 -5.598 1.848 1.00 10.41 N ATOM 568 CA LYS A 38 -9.011 -6.023 2.868 1.00 70.02 C ATOM 569 C LYS A 38 -8.039 -4.886 3.239 1.00 44.54 C ATOM 570 O LYS A 38 -7.055 -4.650 2.535 1.00 52.04 O ATOM 571 CB LYS A 38 -8.197 -7.239 2.380 1.00 61.24 C ATOM 572 CG LYS A 38 -9.036 -8.395 1.829 1.00 55.31 C ATOM 573 CD LYS A 38 -8.216 -9.686 1.707 1.00 55.22 C ATOM 574 CE LYS A 38 -7.017 -9.552 0.764 1.00 2.31 C ATOM 575 NZ LYS A 38 -7.403 -9.686 -0.668 1.00 60.13 N ATOM 0 H LYS A 38 -9.824 -6.007 0.927 1.00 10.41 H new ATOM 0 HA LYS A 38 -9.585 -6.297 3.753 1.00 70.02 H new ATOM 0 HB2 LYS A 38 -7.506 -6.908 1.604 1.00 61.24 H new ATOM 0 HB3 LYS A 38 -7.593 -7.610 3.208 1.00 61.24 H new ATOM 0 HG2 LYS A 38 -9.891 -8.568 2.483 1.00 55.31 H new ATOM 0 HG3 LYS A 38 -9.433 -8.122 0.851 1.00 55.31 H new ATOM 0 HD2 LYS A 38 -7.862 -9.979 2.695 1.00 55.22 H new ATOM 0 HD3 LYS A 38 -8.863 -10.487 1.350 1.00 55.22 H new ATOM 0 HE2 LYS A 38 -6.542 -8.584 0.920 1.00 2.31 H new ATOM 0 HE3 LYS A 38 -6.277 -10.314 1.011 1.00 2.31 H new ATOM 0 HZ1 LYS A 38 -6.657 -9.280 -1.268 1.00 60.13 H new ATOM 0 HZ2 LYS A 38 -7.526 -10.692 -0.902 1.00 60.13 H new ATOM 0 HZ3 LYS A 38 -8.296 -9.180 -0.836 1.00 60.13 H new ATOM 589 N GLN A 39 -8.317 -4.180 4.335 1.00 45.22 N ATOM 590 CA GLN A 39 -7.419 -3.123 4.817 1.00 21.03 C ATOM 591 C GLN A 39 -6.306 -3.711 5.703 1.00 24.55 C ATOM 592 O GLN A 39 -6.570 -4.221 6.791 1.00 15.23 O ATOM 593 CB GLN A 39 -8.201 -2.056 5.594 1.00 74.22 C ATOM 594 CG GLN A 39 -7.346 -0.865 6.019 1.00 72.24 C ATOM 595 CD GLN A 39 -8.119 0.158 6.837 1.00 75.42 C ATOM 596 OE1 GLN A 39 -8.727 1.074 6.295 1.00 20.02 O ATOM 597 NE2 GLN A 39 -8.090 0.022 8.148 1.00 25.02 N ATOM 0 H GLN A 39 -9.151 -4.317 4.905 1.00 45.22 H new ATOM 0 HA GLN A 39 -6.959 -2.654 3.947 1.00 21.03 H new ATOM 0 HB2 GLN A 39 -9.026 -1.700 4.977 1.00 74.22 H new ATOM 0 HB3 GLN A 39 -8.641 -2.513 6.481 1.00 74.22 H new ATOM 0 HG2 GLN A 39 -6.498 -1.223 6.603 1.00 72.24 H new ATOM 0 HG3 GLN A 39 -6.940 -0.381 5.131 1.00 72.24 H new ATOM 0 HE21 GLN A 39 -7.575 -0.751 8.569 1.00 25.02 H new ATOM 0 HE22 GLN A 39 -8.583 0.690 8.741 1.00 25.02 H new ATOM 606 N THR A 40 -5.066 -3.636 5.230 1.00 53.41 N ATOM 607 CA THR A 40 -3.923 -4.219 5.950 1.00 1.13 C ATOM 608 C THR A 40 -2.712 -3.279 5.959 1.00 34.42 C ATOM 609 O THR A 40 -2.681 -2.277 5.240 1.00 35.35 O ATOM 610 CB THR A 40 -3.496 -5.581 5.353 1.00 13.34 C ATOM 611 OG1 THR A 40 -2.388 -6.118 6.091 1.00 54.01 O ATOM 612 CG2 THR A 40 -3.112 -5.450 3.884 1.00 53.24 C ATOM 0 H THR A 40 -4.820 -3.179 4.352 1.00 53.41 H new ATOM 0 HA THR A 40 -4.264 -4.371 6.974 1.00 1.13 H new ATOM 0 HB THR A 40 -4.349 -6.256 5.426 1.00 13.34 H new ATOM 0 HG1 THR A 40 -2.126 -6.981 5.707 1.00 54.01 H new ATOM 0 HG21 THR A 40 -2.817 -6.425 3.497 1.00 53.24 H new ATOM 0 HG22 THR A 40 -3.965 -5.077 3.317 1.00 53.24 H new ATOM 0 HG23 THR A 40 -2.279 -4.754 3.786 1.00 53.24 H new ATOM 620 N ARG A 41 -1.718 -3.607 6.786 1.00 74.40 N ATOM 621 CA ARG A 41 -0.508 -2.782 6.919 1.00 3.15 C ATOM 622 C ARG A 41 0.665 -3.381 6.128 1.00 3.14 C ATOM 623 O ARG A 41 0.698 -4.580 5.848 1.00 64.51 O ATOM 624 CB ARG A 41 -0.077 -2.674 8.391 1.00 3.35 C ATOM 625 CG ARG A 41 -1.181 -2.258 9.356 1.00 22.23 C ATOM 626 CD ARG A 41 -0.661 -2.159 10.794 1.00 15.10 C ATOM 627 NE ARG A 41 0.117 -3.344 11.185 1.00 62.33 N ATOM 628 CZ ARG A 41 0.209 -3.808 12.405 1.00 34.24 C ATOM 629 NH1 ARG A 41 -0.429 -3.249 13.377 1.00 51.14 N ATOM 630 NH2 ARG A 41 0.945 -4.844 12.642 1.00 11.21 N ATOM 0 H ARG A 41 -1.724 -4.439 7.376 1.00 74.40 H new ATOM 0 HA ARG A 41 -0.755 -1.796 6.525 1.00 3.15 H new ATOM 0 HB2 ARG A 41 0.319 -3.638 8.710 1.00 3.35 H new ATOM 0 HB3 ARG A 41 0.739 -1.954 8.463 1.00 3.35 H new ATOM 0 HG2 ARG A 41 -1.591 -1.296 9.049 1.00 22.23 H new ATOM 0 HG3 ARG A 41 -1.996 -2.980 9.311 1.00 22.23 H new ATOM 0 HD2 ARG A 41 -0.039 -1.269 10.894 1.00 15.10 H new ATOM 0 HD3 ARG A 41 -1.503 -2.038 11.476 1.00 15.10 H new ATOM 0 HE ARG A 41 0.622 -3.841 10.451 1.00 62.33 H new ATOM 0 HH11 ARG A 41 -1.015 -2.433 13.200 1.00 51.14 H new ATOM 0 HH12 ARG A 41 -0.347 -3.623 14.323 1.00 51.14 H new ATOM 0 HH21 ARG A 41 1.451 -5.296 11.880 1.00 11.21 H new ATOM 0 HH22 ARG A 41 1.020 -5.210 13.591 1.00 11.21 H new ATOM 644 N ILE A 42 1.627 -2.537 5.775 1.00 21.44 N ATOM 645 CA ILE A 42 2.883 -2.996 5.171 1.00 31.42 C ATOM 646 C ILE A 42 4.052 -2.105 5.628 1.00 34.23 C ATOM 647 O ILE A 42 3.904 -0.885 5.736 1.00 22.45 O ATOM 648 CB ILE A 42 2.795 -3.020 3.620 1.00 42.10 C ATOM 649 CG1 ILE A 42 4.031 -3.712 3.019 1.00 42.11 C ATOM 650 CG2 ILE A 42 2.633 -1.605 3.057 1.00 32.25 C ATOM 651 CD1 ILE A 42 3.950 -3.909 1.520 1.00 33.15 C ATOM 0 H ILE A 42 1.566 -1.526 5.895 1.00 21.44 H new ATOM 0 HA ILE A 42 3.061 -4.017 5.509 1.00 31.42 H new ATOM 0 HB ILE A 42 1.912 -3.594 3.339 1.00 42.10 H new ATOM 0 HG12 ILE A 42 4.916 -3.120 3.251 1.00 42.11 H new ATOM 0 HG13 ILE A 42 4.162 -4.683 3.498 1.00 42.11 H new ATOM 0 HG21 ILE A 42 2.574 -1.651 1.970 1.00 32.25 H new ATOM 0 HG22 ILE A 42 1.720 -1.159 3.452 1.00 32.25 H new ATOM 0 HG23 ILE A 42 3.489 -0.997 3.349 1.00 32.25 H new ATOM 0 HD11 ILE A 42 4.856 -4.402 1.168 1.00 33.15 H new ATOM 0 HD12 ILE A 42 3.084 -4.527 1.280 1.00 33.15 H new ATOM 0 HD13 ILE A 42 3.851 -2.940 1.031 1.00 33.15 H new ATOM 663 N ASN A 43 5.204 -2.713 5.914 1.00 35.43 N ATOM 664 CA ASN A 43 6.348 -1.976 6.470 1.00 43.32 C ATOM 665 C ASN A 43 6.853 -0.898 5.488 1.00 63.41 C ATOM 666 O ASN A 43 6.920 -1.122 4.278 1.00 42.13 O ATOM 667 CB ASN A 43 7.473 -2.951 6.860 1.00 61.11 C ATOM 668 CG ASN A 43 8.365 -2.396 7.963 1.00 5.12 C ATOM 669 OD1 ASN A 43 8.077 -2.559 9.142 1.00 63.40 O ATOM 670 ND2 ASN A 43 9.452 -1.752 7.597 1.00 53.23 N ATOM 0 H ASN A 43 5.373 -3.709 5.772 1.00 35.43 H new ATOM 0 HA ASN A 43 6.017 -1.460 7.371 1.00 43.32 H new ATOM 0 HB2 ASN A 43 7.035 -3.893 7.190 1.00 61.11 H new ATOM 0 HB3 ASN A 43 8.080 -3.171 5.982 1.00 61.11 H new ATOM 0 HD21 ASN A 43 10.082 -1.372 8.304 1.00 53.23 H new ATOM 0 HD22 ASN A 43 9.665 -1.632 6.607 1.00 53.23 H new ATOM 677 N LYS A 44 7.203 0.270 6.026 1.00 41.31 N ATOM 678 CA LYS A 44 7.532 1.454 5.213 1.00 43.31 C ATOM 679 C LYS A 44 8.689 1.229 4.215 1.00 1.45 C ATOM 680 O LYS A 44 8.806 1.956 3.227 1.00 21.30 O ATOM 681 CB LYS A 44 7.856 2.640 6.132 1.00 62.34 C ATOM 682 CG LYS A 44 9.051 2.406 7.054 1.00 15.42 C ATOM 683 CD LYS A 44 9.249 3.558 8.036 1.00 60.14 C ATOM 684 CE LYS A 44 10.506 3.374 8.881 1.00 32.43 C ATOM 685 NZ LYS A 44 10.500 2.085 9.620 1.00 73.51 N ATOM 0 H LYS A 44 7.268 0.428 7.032 1.00 41.31 H new ATOM 0 HA LYS A 44 6.650 1.665 4.609 1.00 43.31 H new ATOM 0 HB2 LYS A 44 8.051 3.519 5.518 1.00 62.34 H new ATOM 0 HB3 LYS A 44 6.980 2.864 6.740 1.00 62.34 H new ATOM 0 HG2 LYS A 44 8.906 1.478 7.608 1.00 15.42 H new ATOM 0 HG3 LYS A 44 9.953 2.281 6.454 1.00 15.42 H new ATOM 0 HD2 LYS A 44 9.315 4.497 7.486 1.00 60.14 H new ATOM 0 HD3 LYS A 44 8.380 3.632 8.689 1.00 60.14 H new ATOM 0 HE2 LYS A 44 11.384 3.418 8.237 1.00 32.43 H new ATOM 0 HE3 LYS A 44 10.589 4.197 9.590 1.00 32.43 H new ATOM 0 HZ1 LYS A 44 11.302 2.061 10.282 1.00 73.51 H new ATOM 0 HZ2 LYS A 44 9.610 1.993 10.150 1.00 73.51 H new ATOM 0 HZ3 LYS A 44 10.584 1.298 8.946 1.00 73.51 H new ATOM 699 N ASP A 45 9.531 0.229 4.459 1.00 54.11 N ATOM 700 CA ASP A 45 10.678 -0.046 3.579 1.00 15.31 C ATOM 701 C ASP A 45 10.271 -0.855 2.332 1.00 3.25 C ATOM 702 O ASP A 45 10.998 -0.891 1.335 1.00 51.12 O ATOM 703 CB ASP A 45 11.777 -0.792 4.351 1.00 21.51 C ATOM 704 CG ASP A 45 11.337 -2.151 4.878 1.00 53.33 C ATOM 705 OD1 ASP A 45 10.120 -2.422 4.936 1.00 3.23 O ATOM 706 OD2 ASP A 45 12.212 -2.952 5.252 1.00 15.53 O ATOM 0 H ASP A 45 9.447 -0.405 5.253 1.00 54.11 H new ATOM 0 HA ASP A 45 11.061 0.916 3.239 1.00 15.31 H new ATOM 0 HB2 ASP A 45 12.640 -0.927 3.699 1.00 21.51 H new ATOM 0 HB3 ASP A 45 12.104 -0.175 5.188 1.00 21.51 H new ATOM 711 N GLN A 46 9.102 -1.488 2.391 1.00 55.44 N ATOM 712 CA GLN A 46 8.632 -2.365 1.312 1.00 34.32 C ATOM 713 C GLN A 46 8.122 -1.572 0.100 1.00 41.11 C ATOM 714 O GLN A 46 8.155 -2.061 -1.024 1.00 44.10 O ATOM 715 CB GLN A 46 7.512 -3.278 1.828 1.00 2.40 C ATOM 716 CG GLN A 46 7.914 -4.158 3.006 1.00 63.54 C ATOM 717 CD GLN A 46 9.003 -5.155 2.654 1.00 51.23 C ATOM 718 OE1 GLN A 46 8.726 -6.266 2.212 1.00 72.12 O ATOM 719 NE2 GLN A 46 10.245 -4.778 2.872 1.00 44.43 N ATOM 0 H GLN A 46 8.457 -1.412 3.177 1.00 55.44 H new ATOM 0 HA GLN A 46 9.485 -2.961 0.988 1.00 34.32 H new ATOM 0 HB2 GLN A 46 6.663 -2.661 2.123 1.00 2.40 H new ATOM 0 HB3 GLN A 46 7.174 -3.916 1.011 1.00 2.40 H new ATOM 0 HG2 GLN A 46 8.258 -3.526 3.825 1.00 63.54 H new ATOM 0 HG3 GLN A 46 7.038 -4.697 3.366 1.00 63.54 H new ATOM 0 HE21 GLN A 46 10.438 -3.847 3.240 1.00 44.43 H new ATOM 0 HE22 GLN A 46 11.014 -5.417 2.673 1.00 44.43 H new ATOM 728 N VAL A 47 7.650 -0.351 0.322 1.00 0.11 N ATOM 729 CA VAL A 47 7.079 0.456 -0.764 1.00 11.23 C ATOM 730 C VAL A 47 8.167 1.085 -1.663 1.00 64.02 C ATOM 731 O VAL A 47 9.004 1.863 -1.202 1.00 52.51 O ATOM 732 CB VAL A 47 6.143 1.567 -0.214 1.00 45.54 C ATOM 733 CG1 VAL A 47 6.877 2.476 0.772 1.00 53.32 C ATOM 734 CG2 VAL A 47 5.534 2.380 -1.357 1.00 65.05 C ATOM 0 H VAL A 47 7.648 0.104 1.235 1.00 0.11 H new ATOM 0 HA VAL A 47 6.492 -0.229 -1.376 1.00 11.23 H new ATOM 0 HB VAL A 47 5.332 1.080 0.327 1.00 45.54 H new ATOM 0 HG11 VAL A 47 6.194 3.242 1.138 1.00 53.32 H new ATOM 0 HG12 VAL A 47 7.241 1.884 1.611 1.00 53.32 H new ATOM 0 HG13 VAL A 47 7.720 2.951 0.271 1.00 53.32 H new ATOM 0 HG21 VAL A 47 4.882 3.152 -0.948 1.00 65.05 H new ATOM 0 HG22 VAL A 47 6.331 2.847 -1.936 1.00 65.05 H new ATOM 0 HG23 VAL A 47 4.954 1.721 -2.003 1.00 65.05 H new ATOM 744 N ARG A 48 8.175 0.700 -2.941 1.00 53.05 N ATOM 745 CA ARG A 48 9.042 1.339 -3.943 1.00 73.30 C ATOM 746 C ARG A 48 8.391 2.629 -4.471 1.00 24.34 C ATOM 747 O ARG A 48 8.949 3.720 -4.340 1.00 70.22 O ATOM 748 CB ARG A 48 9.332 0.372 -5.107 1.00 23.42 C ATOM 749 CG ARG A 48 10.193 0.972 -6.221 1.00 21.04 C ATOM 750 CD ARG A 48 10.427 -0.020 -7.361 1.00 65.21 C ATOM 751 NE ARG A 48 11.186 -1.195 -6.931 1.00 41.14 N ATOM 752 CZ ARG A 48 11.520 -2.187 -7.714 1.00 12.04 C ATOM 753 NH1 ARG A 48 11.185 -2.187 -8.964 1.00 51.30 N ATOM 754 NH2 ARG A 48 12.198 -3.180 -7.243 1.00 62.23 N ATOM 0 H ARG A 48 7.592 -0.051 -3.310 1.00 53.05 H new ATOM 0 HA ARG A 48 9.987 1.595 -3.464 1.00 73.30 H new ATOM 0 HB2 ARG A 48 9.832 -0.513 -4.713 1.00 23.42 H new ATOM 0 HB3 ARG A 48 8.385 0.040 -5.533 1.00 23.42 H new ATOM 0 HG2 ARG A 48 9.708 1.866 -6.612 1.00 21.04 H new ATOM 0 HG3 ARG A 48 11.153 1.284 -5.809 1.00 21.04 H new ATOM 0 HD2 ARG A 48 9.466 -0.339 -7.764 1.00 65.21 H new ATOM 0 HD3 ARG A 48 10.962 0.479 -8.169 1.00 65.21 H new ATOM 0 HE ARG A 48 11.474 -1.243 -5.954 1.00 41.14 H new ATOM 0 HH11 ARG A 48 10.654 -1.406 -9.350 1.00 51.30 H new ATOM 0 HH12 ARG A 48 11.452 -2.968 -9.564 1.00 51.30 H new ATOM 0 HH21 ARG A 48 12.472 -3.190 -6.261 1.00 62.23 H new ATOM 0 HH22 ARG A 48 12.459 -3.954 -7.853 1.00 62.23 H new ATOM 768 N THR A 49 7.204 2.486 -5.066 1.00 12.23 N ATOM 769 CA THR A 49 6.445 3.627 -5.613 1.00 23.34 C ATOM 770 C THR A 49 4.930 3.421 -5.447 1.00 62.32 C ATOM 771 O THR A 49 4.458 2.292 -5.290 1.00 41.40 O ATOM 772 CB THR A 49 6.743 3.859 -7.119 1.00 13.41 C ATOM 773 OG1 THR A 49 6.542 2.643 -7.853 1.00 31.22 O ATOM 774 CG2 THR A 49 8.166 4.364 -7.343 1.00 22.01 C ATOM 0 H THR A 49 6.740 1.586 -5.185 1.00 12.23 H new ATOM 0 HA THR A 49 6.766 4.501 -5.046 1.00 23.34 H new ATOM 0 HB THR A 49 6.054 4.624 -7.477 1.00 13.41 H new ATOM 0 HG1 THR A 49 6.730 2.799 -8.802 1.00 31.22 H new ATOM 0 HG21 THR A 49 8.335 4.514 -8.409 1.00 22.01 H new ATOM 0 HG22 THR A 49 8.304 5.309 -6.817 1.00 22.01 H new ATOM 0 HG23 THR A 49 8.877 3.630 -6.963 1.00 22.01 H new ATOM 782 N VAL A 50 4.171 4.520 -5.484 1.00 22.14 N ATOM 783 CA VAL A 50 2.707 4.473 -5.333 1.00 72.22 C ATOM 784 C VAL A 50 2.003 5.279 -6.444 1.00 22.14 C ATOM 785 O VAL A 50 2.086 6.509 -6.477 1.00 43.45 O ATOM 786 CB VAL A 50 2.267 5.028 -3.948 1.00 1.42 C ATOM 787 CG1 VAL A 50 0.745 5.007 -3.803 1.00 74.40 C ATOM 788 CG2 VAL A 50 2.923 4.246 -2.810 1.00 4.05 C ATOM 0 H VAL A 50 4.545 5.459 -5.618 1.00 22.14 H new ATOM 0 HA VAL A 50 2.414 3.426 -5.411 1.00 72.22 H new ATOM 0 HB VAL A 50 2.600 6.064 -3.888 1.00 1.42 H new ATOM 0 HG11 VAL A 50 0.467 5.401 -2.825 1.00 74.40 H new ATOM 0 HG12 VAL A 50 0.297 5.623 -4.583 1.00 74.40 H new ATOM 0 HG13 VAL A 50 0.385 3.983 -3.898 1.00 74.40 H new ATOM 0 HG21 VAL A 50 2.598 4.655 -1.853 1.00 4.05 H new ATOM 0 HG22 VAL A 50 2.632 3.197 -2.874 1.00 4.05 H new ATOM 0 HG23 VAL A 50 4.007 4.327 -2.890 1.00 4.05 H new ATOM 798 N LYS A 51 1.316 4.583 -7.351 1.00 53.42 N ATOM 799 CA LYS A 51 0.591 5.231 -8.457 1.00 22.14 C ATOM 800 C LYS A 51 -0.869 4.763 -8.528 1.00 52.54 C ATOM 801 O LYS A 51 -1.218 3.691 -8.038 1.00 43.33 O ATOM 802 CB LYS A 51 1.280 4.945 -9.801 1.00 63.30 C ATOM 803 CG LYS A 51 2.622 5.646 -9.979 1.00 33.33 C ATOM 804 CD LYS A 51 3.242 5.345 -11.346 1.00 31.32 C ATOM 805 CE LYS A 51 4.460 6.218 -11.626 1.00 42.15 C ATOM 806 NZ LYS A 51 4.107 7.662 -11.675 1.00 11.34 N ATOM 0 H LYS A 51 1.243 3.566 -7.345 1.00 53.42 H new ATOM 0 HA LYS A 51 0.603 6.303 -8.262 1.00 22.14 H new ATOM 0 HB2 LYS A 51 1.429 3.870 -9.898 1.00 63.30 H new ATOM 0 HB3 LYS A 51 0.615 5.249 -10.609 1.00 63.30 H new ATOM 0 HG2 LYS A 51 2.488 6.722 -9.870 1.00 33.33 H new ATOM 0 HG3 LYS A 51 3.306 5.328 -9.192 1.00 33.33 H new ATOM 0 HD2 LYS A 51 3.531 4.295 -11.390 1.00 31.32 H new ATOM 0 HD3 LYS A 51 2.496 5.503 -12.125 1.00 31.32 H new ATOM 0 HE2 LYS A 51 5.210 6.054 -10.853 1.00 42.15 H new ATOM 0 HE3 LYS A 51 4.909 5.922 -12.574 1.00 42.15 H new ATOM 0 HZ1 LYS A 51 4.864 8.188 -12.156 1.00 11.34 H new ATOM 0 HZ2 LYS A 51 3.215 7.784 -12.196 1.00 11.34 H new ATOM 0 HZ3 LYS A 51 3.995 8.025 -10.707 1.00 11.34 H new ATOM 820 N ASP A 52 -1.718 5.579 -9.140 1.00 72.51 N ATOM 821 CA ASP A 52 -3.116 5.210 -9.365 1.00 22.22 C ATOM 822 C ASP A 52 -3.274 4.458 -10.695 1.00 43.31 C ATOM 823 O ASP A 52 -2.512 4.673 -11.639 1.00 31.33 O ATOM 824 CB ASP A 52 -4.002 6.460 -9.379 1.00 44.22 C ATOM 825 CG ASP A 52 -3.905 7.264 -8.096 1.00 4.32 C ATOM 826 OD1 ASP A 52 -4.411 6.800 -7.053 1.00 42.23 O ATOM 827 OD2 ASP A 52 -3.328 8.371 -8.125 1.00 70.30 O ATOM 0 H ASP A 52 -1.465 6.503 -9.491 1.00 72.51 H new ATOM 0 HA ASP A 52 -3.426 4.556 -8.550 1.00 22.22 H new ATOM 0 HB2 ASP A 52 -3.718 7.092 -10.221 1.00 44.22 H new ATOM 0 HB3 ASP A 52 -5.039 6.163 -9.539 1.00 44.22 H new ATOM 832 N LEU A 53 -4.269 3.580 -10.769 1.00 22.41 N ATOM 833 CA LEU A 53 -4.588 2.879 -12.019 1.00 43.42 C ATOM 834 C LEU A 53 -5.220 3.835 -13.042 1.00 11.22 C ATOM 835 O LEU A 53 -5.318 3.523 -14.228 1.00 14.55 O ATOM 836 CB LEU A 53 -5.530 1.695 -11.750 1.00 12.21 C ATOM 837 CG LEU A 53 -4.939 0.567 -10.886 1.00 33.22 C ATOM 838 CD1 LEU A 53 -5.975 -0.526 -10.634 1.00 13.04 C ATOM 839 CD2 LEU A 53 -3.690 -0.017 -11.544 1.00 22.32 C ATOM 0 H LEU A 53 -4.870 3.334 -9.983 1.00 22.41 H new ATOM 0 HA LEU A 53 -3.655 2.498 -12.436 1.00 43.42 H new ATOM 0 HB2 LEU A 53 -6.429 2.071 -11.262 1.00 12.21 H new ATOM 0 HB3 LEU A 53 -5.839 1.274 -12.706 1.00 12.21 H new ATOM 0 HG LEU A 53 -4.654 0.992 -9.924 1.00 33.22 H new ATOM 0 HD11 LEU A 53 -5.533 -1.312 -10.021 1.00 13.04 H new ATOM 0 HD12 LEU A 53 -6.834 -0.101 -10.115 1.00 13.04 H new ATOM 0 HD13 LEU A 53 -6.299 -0.947 -11.586 1.00 13.04 H new ATOM 0 HD21 LEU A 53 -3.287 -0.813 -10.918 1.00 22.32 H new ATOM 0 HD22 LEU A 53 -3.949 -0.421 -12.522 1.00 22.32 H new ATOM 0 HD23 LEU A 53 -2.941 0.766 -11.662 1.00 22.32 H new ATOM 851 N LEU A 54 -5.650 5.007 -12.569 1.00 53.31 N ATOM 852 CA LEU A 54 -6.256 6.028 -13.434 1.00 22.35 C ATOM 853 C LEU A 54 -5.509 7.368 -13.328 1.00 41.14 C ATOM 854 O LEU A 54 -5.853 8.219 -12.506 1.00 43.33 O ATOM 855 CB LEU A 54 -7.739 6.228 -13.070 1.00 24.44 C ATOM 856 CG LEU A 54 -8.639 4.993 -13.257 1.00 11.42 C ATOM 857 CD1 LEU A 54 -10.059 5.276 -12.773 1.00 61.30 C ATOM 858 CD2 LEU A 54 -8.645 4.545 -14.719 1.00 32.45 C ATOM 0 H LEU A 54 -5.590 5.276 -11.587 1.00 53.31 H new ATOM 0 HA LEU A 54 -6.182 5.676 -14.463 1.00 22.35 H new ATOM 0 HB2 LEU A 54 -7.800 6.546 -12.029 1.00 24.44 H new ATOM 0 HB3 LEU A 54 -8.137 7.042 -13.676 1.00 24.44 H new ATOM 0 HG LEU A 54 -8.231 4.182 -12.653 1.00 11.42 H new ATOM 0 HD11 LEU A 54 -10.676 4.389 -12.916 1.00 61.30 H new ATOM 0 HD12 LEU A 54 -10.038 5.537 -11.715 1.00 61.30 H new ATOM 0 HD13 LEU A 54 -10.479 6.105 -13.343 1.00 61.30 H new ATOM 0 HD21 LEU A 54 -9.287 3.671 -14.829 1.00 32.45 H new ATOM 0 HD22 LEU A 54 -9.022 5.353 -15.346 1.00 32.45 H new ATOM 0 HD23 LEU A 54 -7.630 4.291 -15.026 1.00 32.45 H new ATOM 870 N GLU A 55 -4.459 7.534 -14.134 1.00 54.20 N ATOM 871 CA GLU A 55 -3.739 8.816 -14.222 1.00 30.22 C ATOM 872 C GLU A 55 -3.874 9.430 -15.632 1.00 31.41 C ATOM 873 O GLU A 55 -4.824 10.213 -15.858 1.00 37.83 O ATOM 874 CB GLU A 55 -2.250 8.639 -13.861 1.00 11.22 C ATOM 875 CG GLU A 55 -1.996 8.209 -12.416 1.00 41.35 C ATOM 876 CD GLU A 55 -0.520 8.257 -12.034 1.00 61.11 C ATOM 877 OE1 GLU A 55 0.222 7.309 -12.362 1.00 34.54 O ATOM 878 OE2 GLU A 55 -0.090 9.254 -11.409 1.00 22.32 O ATOM 0 H GLU A 55 -4.085 6.801 -14.736 1.00 54.20 H new ATOM 0 HA GLU A 55 -4.191 9.498 -13.502 1.00 30.22 H new ATOM 0 HB2 GLU A 55 -1.812 7.898 -14.530 1.00 11.22 H new ATOM 0 HB3 GLU A 55 -1.730 9.580 -14.044 1.00 11.22 H new ATOM 0 HG2 GLU A 55 -2.561 8.856 -11.745 1.00 41.35 H new ATOM 0 HG3 GLU A 55 -2.371 7.196 -12.272 1.00 41.35 H new TER 885 GLU A 55