USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=17 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 Set 1.1: A 1 MET CE :methyl -161:sc= -0.123 (180deg=-0.645) USER MOD Set 1.2: A 20 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot 129:sc= -0.0864 USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0155 (180deg=-0.0838) USER MOD Single : A 3 SER OG : rot 28:sc= 0.0903 USER MOD Single : A 5 THR OG1 : rot 55:sc= 0.311 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0374) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0782 (180deg=-0.187) USER MOD Single : A 34 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.87) USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= 0.835 (180deg=0.0522) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 43 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.6) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0397) USER MOD Single : A 46 GLN : amide:sc= -0.286 K(o=-0.29,f=-4.2!) USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= -0.0767 (180deg=-0.492) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.183 10.051 -0.153 1.00 33.24 N ATOM 2 CA MET A 1 -12.366 9.815 -1.373 1.00 14.13 C ATOM 3 C MET A 1 -12.055 8.322 -1.553 1.00 63.21 C ATOM 4 O MET A 1 -11.701 7.633 -0.595 1.00 32.14 O ATOM 5 CB MET A 1 -11.060 10.630 -1.315 1.00 73.22 C ATOM 6 CG MET A 1 -10.172 10.314 -0.116 1.00 54.43 C ATOM 7 SD MET A 1 -8.665 11.306 -0.088 1.00 2.32 S ATOM 8 CE MET A 1 -7.861 10.772 -1.600 1.00 53.53 C ATOM 0 H1 MET A 1 -13.278 11.074 0.009 1.00 33.24 H new ATOM 0 H2 MET A 1 -14.126 9.632 -0.280 1.00 33.24 H new ATOM 0 H3 MET A 1 -12.717 9.613 0.667 1.00 33.24 H new ATOM 0 HA MET A 1 -12.948 10.145 -2.233 1.00 14.13 H new ATOM 0 HB2 MET A 1 -10.493 10.450 -2.229 1.00 73.22 H new ATOM 0 HB3 MET A 1 -11.309 11.691 -1.298 1.00 73.22 H new ATOM 0 HG2 MET A 1 -10.733 10.486 0.802 1.00 54.43 H new ATOM 0 HG3 MET A 1 -9.907 9.257 -0.134 1.00 54.43 H new ATOM 0 HE1 MET A 1 -6.801 11.024 -1.557 1.00 53.53 H new ATOM 0 HE2 MET A 1 -7.973 9.693 -1.710 1.00 53.53 H new ATOM 0 HE3 MET A 1 -8.319 11.274 -2.452 1.00 53.53 H new ATOM 20 N ALA A 2 -12.189 7.826 -2.780 1.00 53.40 N ATOM 21 CA ALA A 2 -11.923 6.416 -3.078 1.00 12.53 C ATOM 22 C ALA A 2 -11.473 6.225 -4.536 1.00 54.31 C ATOM 23 O ALA A 2 -12.297 6.135 -5.451 1.00 13.51 O ATOM 24 CB ALA A 2 -13.159 5.571 -2.780 1.00 42.33 C ATOM 0 H ALA A 2 -12.480 8.378 -3.587 1.00 53.40 H new ATOM 0 HA ALA A 2 -11.107 6.084 -2.436 1.00 12.53 H new ATOM 0 HB1 ALA A 2 -12.948 4.526 -3.006 1.00 42.33 H new ATOM 0 HB2 ALA A 2 -13.421 5.669 -1.727 1.00 42.33 H new ATOM 0 HB3 ALA A 2 -13.991 5.914 -3.395 1.00 42.33 H new ATOM 30 N SER A 3 -10.160 6.186 -4.746 1.00 25.44 N ATOM 31 CA SER A 3 -9.587 5.995 -6.086 1.00 71.53 C ATOM 32 C SER A 3 -8.586 4.829 -6.094 1.00 42.30 C ATOM 33 O SER A 3 -7.703 4.758 -5.234 1.00 23.21 O ATOM 34 CB SER A 3 -8.892 7.283 -6.561 1.00 61.32 C ATOM 35 OG SER A 3 -7.879 7.692 -5.652 1.00 2.20 O ATOM 0 H SER A 3 -9.466 6.284 -4.005 1.00 25.44 H new ATOM 0 HA SER A 3 -10.402 5.757 -6.769 1.00 71.53 H new ATOM 0 HB2 SER A 3 -8.455 7.120 -7.546 1.00 61.32 H new ATOM 0 HB3 SER A 3 -9.630 8.078 -6.667 1.00 61.32 H new ATOM 0 HG SER A 3 -7.523 6.908 -5.184 1.00 2.20 H new ATOM 41 N PRO A 4 -8.706 3.902 -7.070 1.00 54.00 N ATOM 42 CA PRO A 4 -7.839 2.709 -7.157 1.00 43.40 C ATOM 43 C PRO A 4 -6.338 3.059 -7.184 1.00 71.20 C ATOM 44 O PRO A 4 -5.858 3.743 -8.092 1.00 11.43 O ATOM 45 CB PRO A 4 -8.276 2.033 -8.471 1.00 22.11 C ATOM 46 CG PRO A 4 -9.047 3.074 -9.215 1.00 43.14 C ATOM 47 CD PRO A 4 -9.692 3.933 -8.163 1.00 32.53 C ATOM 0 HA PRO A 4 -7.950 2.067 -6.283 1.00 43.40 H new ATOM 0 HB2 PRO A 4 -7.413 1.697 -9.046 1.00 22.11 H new ATOM 0 HB3 PRO A 4 -8.890 1.154 -8.275 1.00 22.11 H new ATOM 0 HG2 PRO A 4 -8.391 3.665 -9.854 1.00 43.14 H new ATOM 0 HG3 PRO A 4 -9.797 2.618 -9.862 1.00 43.14 H new ATOM 0 HD2 PRO A 4 -9.868 4.947 -8.521 1.00 32.53 H new ATOM 0 HD3 PRO A 4 -10.657 3.534 -7.850 1.00 32.53 H new ATOM 55 N THR A 5 -5.603 2.576 -6.182 1.00 12.23 N ATOM 56 CA THR A 5 -4.174 2.893 -6.035 1.00 5.23 C ATOM 57 C THR A 5 -3.326 1.617 -5.923 1.00 33.32 C ATOM 58 O THR A 5 -3.590 0.765 -5.078 1.00 22.24 O ATOM 59 CB THR A 5 -3.932 3.760 -4.775 1.00 74.11 C ATOM 60 OG1 THR A 5 -4.869 4.848 -4.734 1.00 33.24 O ATOM 61 CG2 THR A 5 -2.509 4.316 -4.747 1.00 24.24 C ATOM 0 H THR A 5 -5.971 1.962 -5.456 1.00 12.23 H new ATOM 0 HA THR A 5 -3.876 3.444 -6.927 1.00 5.23 H new ATOM 0 HB THR A 5 -4.072 3.121 -3.903 1.00 74.11 H new ATOM 0 HG1 THR A 5 -5.782 4.496 -4.791 1.00 33.24 H new ATOM 0 HG21 THR A 5 -2.372 4.920 -3.850 1.00 24.24 H new ATOM 0 HG22 THR A 5 -1.796 3.491 -4.742 1.00 24.24 H new ATOM 0 HG23 THR A 5 -2.342 4.934 -5.629 1.00 24.24 H new ATOM 69 N VAL A 6 -2.301 1.491 -6.763 1.00 13.15 N ATOM 70 CA VAL A 6 -1.441 0.299 -6.765 1.00 54.35 C ATOM 71 C VAL A 6 -0.072 0.579 -6.118 1.00 2.23 C ATOM 72 O VAL A 6 0.630 1.516 -6.495 1.00 52.34 O ATOM 73 CB VAL A 6 -1.243 -0.254 -8.204 1.00 23.22 C ATOM 74 CG1 VAL A 6 -0.654 0.804 -9.133 1.00 73.42 C ATOM 75 CG2 VAL A 6 -0.373 -1.513 -8.186 1.00 22.51 C ATOM 0 H VAL A 6 -2.042 2.197 -7.452 1.00 13.15 H new ATOM 0 HA VAL A 6 -1.952 -0.456 -6.167 1.00 54.35 H new ATOM 0 HB VAL A 6 -2.225 -0.523 -8.594 1.00 23.22 H new ATOM 0 HG11 VAL A 6 -0.529 0.383 -10.131 1.00 73.42 H new ATOM 0 HG12 VAL A 6 -1.327 1.660 -9.182 1.00 73.42 H new ATOM 0 HG13 VAL A 6 0.315 1.125 -8.751 1.00 73.42 H new ATOM 0 HG21 VAL A 6 -0.247 -1.883 -9.204 1.00 22.51 H new ATOM 0 HG22 VAL A 6 0.603 -1.275 -7.764 1.00 22.51 H new ATOM 0 HG23 VAL A 6 -0.854 -2.279 -7.578 1.00 22.51 H new ATOM 85 N ILE A 7 0.294 -0.232 -5.127 1.00 74.30 N ATOM 86 CA ILE A 7 1.579 -0.090 -4.435 1.00 30.55 C ATOM 87 C ILE A 7 2.566 -1.191 -4.857 1.00 10.54 C ATOM 88 O ILE A 7 2.351 -2.371 -4.578 1.00 21.01 O ATOM 89 CB ILE A 7 1.393 -0.140 -2.894 1.00 34.20 C ATOM 90 CG1 ILE A 7 0.430 0.969 -2.431 1.00 50.12 C ATOM 91 CG2 ILE A 7 2.743 -0.012 -2.186 1.00 12.21 C ATOM 92 CD1 ILE A 7 0.145 0.950 -0.942 1.00 35.33 C ATOM 0 H ILE A 7 -0.283 -0.999 -4.782 1.00 74.30 H new ATOM 0 HA ILE A 7 1.986 0.881 -4.718 1.00 30.55 H new ATOM 0 HB ILE A 7 0.958 -1.104 -2.630 1.00 34.20 H new ATOM 0 HG12 ILE A 7 0.851 1.938 -2.698 1.00 50.12 H new ATOM 0 HG13 ILE A 7 -0.511 0.870 -2.973 1.00 50.12 H new ATOM 0 HG21 ILE A 7 2.593 -0.049 -1.107 1.00 12.21 H new ATOM 0 HG22 ILE A 7 3.393 -0.833 -2.490 1.00 12.21 H new ATOM 0 HG23 ILE A 7 3.207 0.937 -2.455 1.00 12.21 H new ATOM 0 HD11 ILE A 7 -0.540 1.760 -0.692 1.00 35.33 H new ATOM 0 HD12 ILE A 7 -0.306 -0.004 -0.670 1.00 35.33 H new ATOM 0 HD13 ILE A 7 1.077 1.081 -0.392 1.00 35.33 H new ATOM 104 N THR A 8 3.638 -0.802 -5.543 1.00 51.23 N ATOM 105 CA THR A 8 4.705 -1.741 -5.916 1.00 33.44 C ATOM 106 C THR A 8 5.687 -1.915 -4.752 1.00 24.43 C ATOM 107 O THR A 8 6.095 -0.932 -4.135 1.00 53.44 O ATOM 108 CB THR A 8 5.498 -1.243 -7.151 1.00 1.14 C ATOM 109 OG1 THR A 8 4.597 -0.829 -8.190 1.00 50.11 O ATOM 110 CG2 THR A 8 6.421 -2.332 -7.687 1.00 21.10 C ATOM 0 H THR A 8 3.795 0.157 -5.854 1.00 51.23 H new ATOM 0 HA THR A 8 4.227 -2.690 -6.159 1.00 33.44 H new ATOM 0 HB THR A 8 6.104 -0.394 -6.835 1.00 1.14 H new ATOM 0 HG1 THR A 8 4.839 0.071 -8.493 1.00 50.11 H new ATOM 0 HG21 THR A 8 6.965 -1.954 -8.553 1.00 21.10 H new ATOM 0 HG22 THR A 8 7.130 -2.622 -6.912 1.00 21.10 H new ATOM 0 HG23 THR A 8 5.829 -3.199 -7.980 1.00 21.10 H new ATOM 118 N LEU A 9 6.066 -3.155 -4.448 1.00 40.11 N ATOM 119 CA LEU A 9 6.978 -3.426 -3.327 1.00 1.11 C ATOM 120 C LEU A 9 8.419 -3.669 -3.801 1.00 44.14 C ATOM 121 O LEU A 9 8.680 -3.807 -4.998 1.00 62.22 O ATOM 122 CB LEU A 9 6.475 -4.627 -2.517 1.00 51.31 C ATOM 123 CG LEU A 9 5.010 -4.528 -2.066 1.00 5.02 C ATOM 124 CD1 LEU A 9 4.592 -5.773 -1.287 1.00 71.11 C ATOM 125 CD2 LEU A 9 4.796 -3.263 -1.235 1.00 65.24 C ATOM 0 H LEU A 9 5.761 -3.986 -4.955 1.00 40.11 H new ATOM 0 HA LEU A 9 6.990 -2.540 -2.692 1.00 1.11 H new ATOM 0 HB2 LEU A 9 6.596 -5.529 -3.117 1.00 51.31 H new ATOM 0 HB3 LEU A 9 7.105 -4.743 -1.635 1.00 51.31 H new ATOM 0 HG LEU A 9 4.380 -4.467 -2.953 1.00 5.02 H new ATOM 0 HD11 LEU A 9 3.551 -5.677 -0.979 1.00 71.11 H new ATOM 0 HD12 LEU A 9 4.704 -6.653 -1.920 1.00 71.11 H new ATOM 0 HD13 LEU A 9 5.223 -5.879 -0.404 1.00 71.11 H new ATOM 0 HD21 LEU A 9 3.754 -3.205 -0.922 1.00 65.24 H new ATOM 0 HD22 LEU A 9 5.438 -3.293 -0.355 1.00 65.24 H new ATOM 0 HD23 LEU A 9 5.044 -2.387 -1.835 1.00 65.24 H new ATOM 137 N ASN A 10 9.344 -3.720 -2.845 1.00 21.24 N ATOM 138 CA ASN A 10 10.780 -3.872 -3.129 1.00 14.43 C ATOM 139 C ASN A 10 11.078 -5.070 -4.055 1.00 75.13 C ATOM 140 O ASN A 10 11.857 -4.954 -5.003 1.00 42.23 O ATOM 141 CB ASN A 10 11.546 -4.021 -1.809 1.00 10.34 C ATOM 142 CG ASN A 10 13.050 -4.102 -2.002 1.00 33.41 C ATOM 143 OD1 ASN A 10 13.622 -5.182 -2.134 1.00 61.30 O ATOM 144 ND2 ASN A 10 13.700 -2.959 -2.033 1.00 11.22 N ATOM 0 H ASN A 10 9.125 -3.658 -1.851 1.00 21.24 H new ATOM 0 HA ASN A 10 11.109 -2.977 -3.656 1.00 14.43 H new ATOM 0 HB2 ASN A 10 11.313 -3.175 -1.163 1.00 10.34 H new ATOM 0 HB3 ASN A 10 11.202 -4.919 -1.295 1.00 10.34 H new ATOM 0 HD21 ASN A 10 14.711 -2.951 -2.170 1.00 11.22 H new ATOM 0 HD22 ASN A 10 13.193 -2.081 -1.920 1.00 11.22 H new ATOM 151 N ASP A 11 10.454 -6.212 -3.775 1.00 4.33 N ATOM 152 CA ASP A 11 10.652 -7.426 -4.573 1.00 73.45 C ATOM 153 C ASP A 11 10.051 -7.281 -5.983 1.00 15.14 C ATOM 154 O ASP A 11 10.433 -7.994 -6.913 1.00 33.44 O ATOM 155 CB ASP A 11 10.015 -8.618 -3.855 1.00 70.33 C ATOM 156 CG ASP A 11 8.508 -8.470 -3.748 1.00 12.34 C ATOM 157 OD1 ASP A 11 8.045 -7.688 -2.894 1.00 4.34 O ATOM 158 OD2 ASP A 11 7.787 -9.113 -4.539 1.00 63.54 O ATOM 0 H ASP A 11 9.803 -6.325 -2.998 1.00 4.33 H new ATOM 0 HA ASP A 11 11.724 -7.589 -4.684 1.00 73.45 H new ATOM 0 HB2 ASP A 11 10.253 -9.536 -4.392 1.00 70.33 H new ATOM 0 HB3 ASP A 11 10.443 -8.713 -2.857 1.00 70.33 H new ATOM 163 N GLY A 12 9.102 -6.360 -6.132 1.00 21.24 N ATOM 164 CA GLY A 12 8.459 -6.146 -7.422 1.00 33.13 C ATOM 165 C GLY A 12 6.948 -6.362 -7.395 1.00 71.03 C ATOM 166 O GLY A 12 6.230 -5.815 -8.231 1.00 4.45 O ATOM 0 H GLY A 12 8.765 -5.756 -5.382 1.00 21.24 H new ATOM 0 HA2 GLY A 12 8.666 -5.130 -7.758 1.00 33.13 H new ATOM 0 HA3 GLY A 12 8.901 -6.821 -8.155 1.00 33.13 H new ATOM 170 N ARG A 13 6.462 -7.153 -6.435 1.00 1.25 N ATOM 171 CA ARG A 13 5.026 -7.443 -6.322 1.00 42.31 C ATOM 172 C ARG A 13 4.190 -6.159 -6.194 1.00 45.11 C ATOM 173 O ARG A 13 4.481 -5.293 -5.369 1.00 31.32 O ATOM 174 CB ARG A 13 4.751 -8.351 -5.116 1.00 0.03 C ATOM 175 CG ARG A 13 3.278 -8.723 -4.950 1.00 64.02 C ATOM 176 CD ARG A 13 3.049 -9.607 -3.729 1.00 4.12 C ATOM 177 NE ARG A 13 1.636 -9.934 -3.544 1.00 24.13 N ATOM 178 CZ ARG A 13 1.192 -10.771 -2.647 1.00 31.30 C ATOM 179 NH1 ARG A 13 2.016 -11.395 -1.867 1.00 52.13 N ATOM 180 NH2 ARG A 13 -0.077 -10.989 -2.534 1.00 53.40 N ATOM 0 H ARG A 13 7.039 -7.604 -5.725 1.00 1.25 H new ATOM 0 HA ARG A 13 4.732 -7.953 -7.239 1.00 42.31 H new ATOM 0 HB2 ARG A 13 5.338 -9.264 -5.219 1.00 0.03 H new ATOM 0 HB3 ARG A 13 5.095 -7.851 -4.210 1.00 0.03 H new ATOM 0 HG2 ARG A 13 2.682 -7.815 -4.858 1.00 64.02 H new ATOM 0 HG3 ARG A 13 2.932 -9.242 -5.844 1.00 64.02 H new ATOM 0 HD2 ARG A 13 3.623 -10.528 -3.836 1.00 4.12 H new ATOM 0 HD3 ARG A 13 3.423 -9.100 -2.840 1.00 4.12 H new ATOM 0 HE ARG A 13 0.956 -9.480 -4.153 1.00 24.13 H new ATOM 0 HH11 ARG A 13 3.020 -11.234 -1.951 1.00 52.13 H new ATOM 0 HH12 ARG A 13 1.661 -12.048 -1.168 1.00 52.13 H new ATOM 0 HH21 ARG A 13 -0.734 -10.506 -3.147 1.00 53.40 H new ATOM 0 HH22 ARG A 13 -0.421 -11.644 -1.832 1.00 53.40 H new ATOM 194 N GLU A 14 3.151 -6.044 -7.017 1.00 50.32 N ATOM 195 CA GLU A 14 2.239 -4.896 -6.963 1.00 22.42 C ATOM 196 C GLU A 14 0.919 -5.276 -6.273 1.00 45.05 C ATOM 197 O GLU A 14 0.302 -6.290 -6.603 1.00 51.52 O ATOM 198 CB GLU A 14 1.955 -4.370 -8.379 1.00 74.33 C ATOM 199 CG GLU A 14 3.194 -3.886 -9.126 1.00 24.43 C ATOM 200 CD GLU A 14 2.870 -3.369 -10.520 1.00 73.42 C ATOM 201 OE1 GLU A 14 2.520 -4.188 -11.393 1.00 13.11 O ATOM 202 OE2 GLU A 14 2.960 -2.145 -10.752 1.00 1.33 O ATOM 0 H GLU A 14 2.916 -6.732 -7.733 1.00 50.32 H new ATOM 0 HA GLU A 14 2.721 -4.110 -6.381 1.00 22.42 H new ATOM 0 HB2 GLU A 14 1.480 -5.161 -8.960 1.00 74.33 H new ATOM 0 HB3 GLU A 14 1.240 -3.550 -8.313 1.00 74.33 H new ATOM 0 HG2 GLU A 14 3.675 -3.094 -8.551 1.00 24.43 H new ATOM 0 HG3 GLU A 14 3.910 -4.704 -9.203 1.00 24.43 H new ATOM 209 N ILE A 15 0.497 -4.463 -5.308 1.00 33.21 N ATOM 210 CA ILE A 15 -0.774 -4.678 -4.608 1.00 71.33 C ATOM 211 C ILE A 15 -1.760 -3.543 -4.921 1.00 35.25 C ATOM 212 O ILE A 15 -1.479 -2.375 -4.652 1.00 3.35 O ATOM 213 CB ILE A 15 -0.565 -4.769 -3.075 1.00 63.33 C ATOM 214 CG1 ILE A 15 0.446 -5.879 -2.735 1.00 51.20 C ATOM 215 CG2 ILE A 15 -1.896 -5.017 -2.366 1.00 4.02 C ATOM 216 CD1 ILE A 15 0.736 -6.009 -1.253 1.00 34.42 C ATOM 0 H ILE A 15 1.017 -3.645 -4.989 1.00 33.21 H new ATOM 0 HA ILE A 15 -1.185 -5.624 -4.960 1.00 71.33 H new ATOM 0 HB ILE A 15 -0.163 -3.819 -2.724 1.00 63.33 H new ATOM 0 HG12 ILE A 15 0.065 -6.831 -3.106 1.00 51.20 H new ATOM 0 HG13 ILE A 15 1.379 -5.682 -3.262 1.00 51.20 H new ATOM 0 HG21 ILE A 15 -1.730 -5.078 -1.291 1.00 4.02 H new ATOM 0 HG22 ILE A 15 -2.581 -4.197 -2.581 1.00 4.02 H new ATOM 0 HG23 ILE A 15 -2.328 -5.953 -2.720 1.00 4.02 H new ATOM 0 HD11 ILE A 15 1.456 -6.811 -1.092 1.00 34.42 H new ATOM 0 HD12 ILE A 15 1.147 -5.071 -0.879 1.00 34.42 H new ATOM 0 HD13 ILE A 15 -0.187 -6.238 -0.720 1.00 34.42 H new ATOM 228 N GLN A 16 -2.913 -3.887 -5.493 1.00 1.51 N ATOM 229 CA GLN A 16 -3.905 -2.883 -5.905 1.00 71.24 C ATOM 230 C GLN A 16 -4.989 -2.667 -4.832 1.00 73.31 C ATOM 231 O GLN A 16 -5.632 -3.617 -4.373 1.00 13.31 O ATOM 232 CB GLN A 16 -4.554 -3.297 -7.235 1.00 63.15 C ATOM 233 CG GLN A 16 -3.555 -3.523 -8.366 1.00 10.25 C ATOM 234 CD GLN A 16 -4.227 -3.804 -9.702 1.00 12.01 C ATOM 235 OE1 GLN A 16 -4.488 -2.761 -10.465 1.00 32.02 O flip ATOM 236 NE2 GLN A 16 -4.506 -4.945 -10.048 1.00 24.33 N flip ATOM 0 H GLN A 16 -3.187 -4.851 -5.683 1.00 1.51 H new ATOM 0 HA GLN A 16 -3.379 -1.937 -6.035 1.00 71.24 H new ATOM 0 HB2 GLN A 16 -5.126 -4.212 -7.080 1.00 63.15 H new ATOM 0 HB3 GLN A 16 -5.263 -2.526 -7.538 1.00 63.15 H new ATOM 0 HG2 GLN A 16 -2.919 -2.643 -8.463 1.00 10.25 H new ATOM 0 HG3 GLN A 16 -2.905 -4.360 -8.109 1.00 10.25 H new ATOM 0 HE21 GLN A 16 -4.291 -5.731 -9.435 1.00 24.33 H new ATOM 0 HE22 GLN A 16 -4.953 -5.109 -10.950 1.00 24.33 H new ATOM 245 N ALA A 17 -5.193 -1.408 -4.451 1.00 43.12 N ATOM 246 CA ALA A 17 -6.178 -1.036 -3.427 1.00 4.13 C ATOM 247 C ALA A 17 -7.327 -0.203 -4.018 1.00 72.11 C ATOM 248 O ALA A 17 -7.157 0.466 -5.037 1.00 21.11 O ATOM 249 CB ALA A 17 -5.487 -0.262 -2.310 1.00 71.31 C ATOM 0 H ALA A 17 -4.683 -0.615 -4.840 1.00 43.12 H new ATOM 0 HA ALA A 17 -6.611 -1.952 -3.026 1.00 4.13 H new ATOM 0 HB1 ALA A 17 -6.219 0.013 -1.551 1.00 71.31 H new ATOM 0 HB2 ALA A 17 -4.714 -0.885 -1.860 1.00 71.31 H new ATOM 0 HB3 ALA A 17 -5.033 0.640 -2.720 1.00 71.31 H new ATOM 255 N VAL A 18 -8.492 -0.243 -3.367 1.00 42.23 N ATOM 256 CA VAL A 18 -9.671 0.508 -3.825 1.00 32.42 C ATOM 257 C VAL A 18 -9.550 2.012 -3.522 1.00 20.22 C ATOM 258 O VAL A 18 -10.113 2.845 -4.234 1.00 13.52 O ATOM 259 CB VAL A 18 -10.978 -0.030 -3.184 1.00 64.41 C ATOM 260 CG1 VAL A 18 -11.218 -1.485 -3.579 1.00 1.30 C ATOM 261 CG2 VAL A 18 -10.947 0.123 -1.664 1.00 15.05 C ATOM 0 H VAL A 18 -8.648 -0.788 -2.519 1.00 42.23 H new ATOM 0 HA VAL A 18 -9.716 0.367 -4.905 1.00 32.42 H new ATOM 0 HB VAL A 18 -11.808 0.566 -3.564 1.00 64.41 H new ATOM 0 HG11 VAL A 18 -12.140 -1.840 -3.118 1.00 1.30 H new ATOM 0 HG12 VAL A 18 -11.303 -1.558 -4.663 1.00 1.30 H new ATOM 0 HG13 VAL A 18 -10.383 -2.097 -3.238 1.00 1.30 H new ATOM 0 HG21 VAL A 18 -11.875 -0.262 -1.241 1.00 15.05 H new ATOM 0 HG22 VAL A 18 -10.104 -0.437 -1.259 1.00 15.05 H new ATOM 0 HG23 VAL A 18 -10.840 1.177 -1.406 1.00 15.05 H new ATOM 271 N ASP A 19 -8.825 2.351 -2.457 1.00 21.43 N ATOM 272 CA ASP A 19 -8.611 3.749 -2.073 1.00 45.25 C ATOM 273 C ASP A 19 -7.117 4.048 -1.856 1.00 61.02 C ATOM 274 O ASP A 19 -6.276 3.148 -1.915 1.00 61.45 O ATOM 275 CB ASP A 19 -9.430 4.098 -0.820 1.00 75.23 C ATOM 276 CG ASP A 19 -9.017 3.313 0.416 1.00 42.31 C ATOM 277 OD1 ASP A 19 -8.122 3.780 1.153 1.00 72.45 O ATOM 278 OD2 ASP A 19 -9.612 2.245 0.679 1.00 14.44 O ATOM 0 H ASP A 19 -8.373 1.675 -1.841 1.00 21.43 H new ATOM 0 HA ASP A 19 -8.956 4.378 -2.893 1.00 45.25 H new ATOM 0 HB2 ASP A 19 -9.328 5.164 -0.614 1.00 75.23 H new ATOM 0 HB3 ASP A 19 -10.485 3.912 -1.022 1.00 75.23 H new ATOM 283 N THR A 20 -6.798 5.317 -1.612 1.00 2.24 N ATOM 284 CA THR A 20 -5.404 5.755 -1.458 1.00 42.13 C ATOM 285 C THR A 20 -4.854 5.417 -0.062 1.00 63.52 C ATOM 286 O THR A 20 -5.558 5.542 0.944 1.00 42.10 O ATOM 287 CB THR A 20 -5.270 7.278 -1.690 1.00 52.32 C ATOM 288 OG1 THR A 20 -6.017 8.002 -0.698 1.00 22.22 O ATOM 289 CG2 THR A 20 -5.769 7.661 -3.080 1.00 23.15 C ATOM 0 H THR A 20 -7.485 6.065 -1.516 1.00 2.24 H new ATOM 0 HA THR A 20 -4.824 5.218 -2.209 1.00 42.13 H new ATOM 0 HB THR A 20 -4.215 7.538 -1.610 1.00 52.32 H new ATOM 0 HG1 THR A 20 -5.797 8.955 -0.754 1.00 22.22 H new ATOM 0 HG21 THR A 20 -5.665 8.737 -3.220 1.00 23.15 H new ATOM 0 HG22 THR A 20 -5.181 7.138 -3.834 1.00 23.15 H new ATOM 0 HG23 THR A 20 -6.818 7.382 -3.180 1.00 23.15 H new ATOM 297 N PRO A 21 -3.574 4.997 0.022 1.00 54.20 N ATOM 298 CA PRO A 21 -2.969 4.538 1.287 1.00 23.54 C ATOM 299 C PRO A 21 -2.730 5.667 2.307 1.00 30.31 C ATOM 300 O PRO A 21 -2.302 6.768 1.954 1.00 65.24 O ATOM 301 CB PRO A 21 -1.636 3.928 0.834 1.00 21.43 C ATOM 302 CG PRO A 21 -1.298 4.654 -0.425 1.00 11.10 C ATOM 303 CD PRO A 21 -2.614 4.940 -1.101 1.00 41.21 C ATOM 0 HA PRO A 21 -3.627 3.845 1.812 1.00 23.54 H new ATOM 0 HB2 PRO A 21 -0.862 4.062 1.589 1.00 21.43 H new ATOM 0 HB3 PRO A 21 -1.729 2.856 0.661 1.00 21.43 H new ATOM 0 HG2 PRO A 21 -0.760 5.577 -0.211 1.00 11.10 H new ATOM 0 HG3 PRO A 21 -0.654 4.050 -1.064 1.00 11.10 H new ATOM 0 HD2 PRO A 21 -2.586 5.880 -1.653 1.00 41.21 H new ATOM 0 HD3 PRO A 21 -2.877 4.159 -1.814 1.00 41.21 H new ATOM 311 N LYS A 22 -3.019 5.379 3.573 1.00 13.54 N ATOM 312 CA LYS A 22 -2.756 6.312 4.674 1.00 75.10 C ATOM 313 C LYS A 22 -1.383 6.028 5.302 1.00 3.23 C ATOM 314 O LYS A 22 -1.075 4.884 5.628 1.00 51.23 O ATOM 315 CB LYS A 22 -3.849 6.175 5.745 1.00 4.31 C ATOM 316 CG LYS A 22 -3.649 7.080 6.963 1.00 11.01 C ATOM 317 CD LYS A 22 -4.589 6.717 8.115 1.00 13.51 C ATOM 318 CE LYS A 22 -6.060 6.857 7.735 1.00 20.45 C ATOM 319 NZ LYS A 22 -6.430 8.262 7.405 1.00 53.33 N ATOM 0 H LYS A 22 -3.440 4.498 3.868 1.00 13.54 H new ATOM 0 HA LYS A 22 -2.759 7.327 4.278 1.00 75.10 H new ATOM 0 HB2 LYS A 22 -4.815 6.400 5.293 1.00 4.31 H new ATOM 0 HB3 LYS A 22 -3.887 5.138 6.079 1.00 4.31 H new ATOM 0 HG2 LYS A 22 -2.616 7.006 7.303 1.00 11.01 H new ATOM 0 HG3 LYS A 22 -3.816 8.118 6.674 1.00 11.01 H new ATOM 0 HD2 LYS A 22 -4.394 5.692 8.429 1.00 13.51 H new ATOM 0 HD3 LYS A 22 -4.375 7.358 8.970 1.00 13.51 H new ATOM 0 HE2 LYS A 22 -6.274 6.217 6.879 1.00 20.45 H new ATOM 0 HE3 LYS A 22 -6.680 6.505 8.559 1.00 20.45 H new ATOM 0 HZ1 LYS A 22 -7.457 8.324 7.253 1.00 53.33 H new ATOM 0 HZ2 LYS A 22 -6.158 8.886 8.191 1.00 53.33 H new ATOM 0 HZ3 LYS A 22 -5.933 8.558 6.540 1.00 53.33 H new ATOM 333 N TYR A 23 -0.559 7.057 5.469 1.00 23.15 N ATOM 334 CA TYR A 23 0.751 6.882 6.103 1.00 53.33 C ATOM 335 C TYR A 23 0.668 7.096 7.622 1.00 22.24 C ATOM 336 O TYR A 23 0.384 8.202 8.090 1.00 34.10 O ATOM 337 CB TYR A 23 1.771 7.850 5.493 1.00 54.54 C ATOM 338 CG TYR A 23 3.162 7.730 6.094 1.00 75.03 C ATOM 339 CD1 TYR A 23 3.903 6.564 5.942 1.00 12.02 C ATOM 340 CD2 TYR A 23 3.736 8.783 6.802 1.00 73.51 C ATOM 341 CE1 TYR A 23 5.171 6.449 6.473 1.00 71.13 C ATOM 342 CE2 TYR A 23 5.002 8.672 7.338 1.00 3.14 C ATOM 343 CZ TYR A 23 5.715 7.505 7.170 1.00 64.22 C ATOM 344 OH TYR A 23 6.986 7.397 7.688 1.00 70.22 O ATOM 0 H TYR A 23 -0.768 8.012 5.179 1.00 23.15 H new ATOM 0 HA TYR A 23 1.076 5.858 5.921 1.00 53.33 H new ATOM 0 HB2 TYR A 23 1.832 7.671 4.420 1.00 54.54 H new ATOM 0 HB3 TYR A 23 1.414 8.871 5.626 1.00 54.54 H new ATOM 0 HD1 TYR A 23 3.478 5.733 5.398 1.00 12.02 H new ATOM 0 HD2 TYR A 23 3.181 9.700 6.933 1.00 73.51 H new ATOM 0 HE1 TYR A 23 5.734 5.536 6.343 1.00 71.13 H new ATOM 0 HE2 TYR A 23 5.433 9.496 7.887 1.00 3.14 H new ATOM 0 HH TYR A 23 7.223 8.228 8.150 1.00 70.22 H new ATOM 354 N ASP A 24 0.919 6.034 8.383 1.00 43.22 N ATOM 355 CA ASP A 24 0.930 6.109 9.846 1.00 54.44 C ATOM 356 C ASP A 24 2.367 6.254 10.371 1.00 44.31 C ATOM 357 O ASP A 24 3.135 5.293 10.383 1.00 5.45 O ATOM 358 CB ASP A 24 0.269 4.859 10.441 1.00 52.23 C ATOM 359 CG ASP A 24 0.285 4.860 11.961 1.00 1.41 C ATOM 360 OD1 ASP A 24 -0.450 5.667 12.569 1.00 35.20 O ATOM 361 OD2 ASP A 24 1.029 4.051 12.554 1.00 25.41 O ATOM 0 H ASP A 24 1.119 5.106 8.011 1.00 43.22 H new ATOM 0 HA ASP A 24 0.364 6.988 10.153 1.00 54.44 H new ATOM 0 HB2 ASP A 24 -0.762 4.796 10.092 1.00 52.23 H new ATOM 0 HB3 ASP A 24 0.784 3.971 10.076 1.00 52.23 H new ATOM 366 N GLU A 25 2.726 7.462 10.796 1.00 24.11 N ATOM 367 CA GLU A 25 4.085 7.746 11.271 1.00 74.42 C ATOM 368 C GLU A 25 4.404 7.002 12.581 1.00 62.24 C ATOM 369 O GLU A 25 5.552 6.633 12.830 1.00 21.23 O ATOM 370 CB GLU A 25 4.260 9.258 11.472 1.00 3.13 C ATOM 371 CG GLU A 25 5.672 9.670 11.874 1.00 14.31 C ATOM 372 CD GLU A 25 5.793 11.162 12.129 1.00 54.44 C ATOM 373 OE1 GLU A 25 5.940 11.929 11.154 1.00 60.22 O ATOM 374 OE2 GLU A 25 5.738 11.580 13.303 1.00 61.34 O ATOM 0 H GLU A 25 2.096 8.264 10.823 1.00 24.11 H new ATOM 0 HA GLU A 25 4.783 7.391 10.512 1.00 74.42 H new ATOM 0 HB2 GLU A 25 3.992 9.771 10.548 1.00 3.13 H new ATOM 0 HB3 GLU A 25 3.562 9.596 12.238 1.00 3.13 H new ATOM 0 HG2 GLU A 25 5.963 9.126 12.773 1.00 14.31 H new ATOM 0 HG3 GLU A 25 6.369 9.382 11.087 1.00 14.31 H new ATOM 381 N GLU A 26 3.378 6.770 13.400 1.00 51.13 N ATOM 382 CA GLU A 26 3.556 6.146 14.720 1.00 24.12 C ATOM 383 C GLU A 26 4.216 4.761 14.617 1.00 31.01 C ATOM 384 O GLU A 26 5.208 4.477 15.294 1.00 1.22 O ATOM 385 CB GLU A 26 2.202 6.019 15.434 1.00 11.41 C ATOM 386 CG GLU A 26 1.369 7.297 15.425 1.00 40.11 C ATOM 387 CD GLU A 26 2.113 8.504 15.977 1.00 31.33 C ATOM 388 OE1 GLU A 26 2.336 8.565 17.204 1.00 52.11 O ATOM 389 OE2 GLU A 26 2.462 9.405 15.187 1.00 54.11 O ATOM 0 H GLU A 26 2.411 7.004 13.176 1.00 51.13 H new ATOM 0 HA GLU A 26 4.218 6.792 15.297 1.00 24.12 H new ATOM 0 HB2 GLU A 26 1.628 5.221 14.962 1.00 11.41 H new ATOM 0 HB3 GLU A 26 2.375 5.719 16.467 1.00 11.41 H new ATOM 0 HG2 GLU A 26 1.053 7.509 14.404 1.00 40.11 H new ATOM 0 HG3 GLU A 26 0.464 7.137 16.012 1.00 40.11 H new ATOM 396 N SER A 27 3.648 3.895 13.779 1.00 44.44 N ATOM 397 CA SER A 27 4.182 2.539 13.572 1.00 11.34 C ATOM 398 C SER A 27 4.970 2.422 12.257 1.00 33.21 C ATOM 399 O SER A 27 5.654 1.426 12.023 1.00 53.02 O ATOM 400 CB SER A 27 3.045 1.508 13.597 1.00 72.54 C ATOM 401 OG SER A 27 2.395 1.470 14.863 1.00 2.31 O ATOM 0 H SER A 27 2.815 4.104 13.228 1.00 44.44 H new ATOM 0 HA SER A 27 4.874 2.336 14.390 1.00 11.34 H new ATOM 0 HB2 SER A 27 2.318 1.750 12.822 1.00 72.54 H new ATOM 0 HB3 SER A 27 3.444 0.521 13.363 1.00 72.54 H new ATOM 0 HG SER A 27 1.676 0.804 14.842 1.00 2.31 H new ATOM 407 N GLY A 28 4.867 3.435 11.395 1.00 13.34 N ATOM 408 CA GLY A 28 5.641 3.451 10.152 1.00 35.31 C ATOM 409 C GLY A 28 5.001 2.659 9.010 1.00 32.05 C ATOM 410 O GLY A 28 5.642 2.410 7.985 1.00 51.21 O ATOM 0 H GLY A 28 4.263 4.246 11.531 1.00 13.34 H new ATOM 0 HA2 GLY A 28 5.775 4.485 9.833 1.00 35.31 H new ATOM 0 HA3 GLY A 28 6.634 3.047 10.349 1.00 35.31 H new ATOM 414 N PHE A 29 3.744 2.255 9.183 1.00 12.30 N ATOM 415 CA PHE A 29 3.049 1.435 8.181 1.00 73.41 C ATOM 416 C PHE A 29 2.146 2.274 7.257 1.00 41.14 C ATOM 417 O PHE A 29 1.708 3.370 7.613 1.00 65.45 O ATOM 418 CB PHE A 29 2.189 0.363 8.868 1.00 0.00 C ATOM 419 CG PHE A 29 2.971 -0.632 9.691 1.00 24.32 C ATOM 420 CD1 PHE A 29 3.851 -1.512 9.084 1.00 43.23 C ATOM 421 CD2 PHE A 29 2.812 -0.700 11.069 1.00 62.31 C ATOM 422 CE1 PHE A 29 4.557 -2.436 9.829 1.00 34.04 C ATOM 423 CE2 PHE A 29 3.518 -1.621 11.819 1.00 54.31 C ATOM 424 CZ PHE A 29 4.392 -2.489 11.198 1.00 40.00 C ATOM 0 H PHE A 29 3.183 2.479 10.005 1.00 12.30 H new ATOM 0 HA PHE A 29 3.824 0.969 7.572 1.00 73.41 H new ATOM 0 HB2 PHE A 29 1.461 0.857 9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.626 -0.177 8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.987 -1.475 8.013 1.00 43.23 H new ATOM 0 HD2 PHE A 29 2.128 -0.024 11.561 1.00 62.31 H new ATOM 0 HE1 PHE A 29 5.238 -3.117 9.340 1.00 34.04 H new ATOM 0 HE2 PHE A 29 3.386 -1.661 12.890 1.00 54.31 H new ATOM 0 HZ PHE A 29 4.946 -3.209 11.782 1.00 40.00 H new ATOM 434 N TYR A 30 1.877 1.738 6.065 1.00 61.22 N ATOM 435 CA TYR A 30 0.869 2.294 5.152 1.00 71.41 C ATOM 436 C TYR A 30 -0.425 1.469 5.232 1.00 15.30 C ATOM 437 O TYR A 30 -0.397 0.246 5.092 1.00 70.42 O ATOM 438 CB TYR A 30 1.385 2.291 3.704 1.00 23.21 C ATOM 439 CG TYR A 30 2.502 3.285 3.431 1.00 31.00 C ATOM 440 CD1 TYR A 30 3.818 3.002 3.785 1.00 51.53 C ATOM 441 CD2 TYR A 30 2.242 4.499 2.801 1.00 30.32 C ATOM 442 CE1 TYR A 30 4.835 3.901 3.522 1.00 43.44 C ATOM 443 CE2 TYR A 30 3.256 5.400 2.538 1.00 74.52 C ATOM 444 CZ TYR A 30 4.551 5.097 2.900 1.00 44.21 C ATOM 445 OH TYR A 30 5.564 5.991 2.640 1.00 3.01 O ATOM 0 H TYR A 30 2.349 0.909 5.704 1.00 61.22 H new ATOM 0 HA TYR A 30 0.668 3.322 5.453 1.00 71.41 H new ATOM 0 HB2 TYR A 30 1.739 1.289 3.460 1.00 23.21 H new ATOM 0 HB3 TYR A 30 0.552 2.506 3.034 1.00 23.21 H new ATOM 0 HD1 TYR A 30 4.048 2.066 4.272 1.00 51.53 H new ATOM 0 HD2 TYR A 30 1.230 4.741 2.513 1.00 30.32 H new ATOM 0 HE1 TYR A 30 5.851 3.666 3.804 1.00 43.44 H new ATOM 0 HE2 TYR A 30 3.035 6.338 2.051 1.00 74.52 H new ATOM 0 HH TYR A 30 5.195 6.783 2.197 1.00 3.01 H new ATOM 455 N GLU A 31 -1.551 2.139 5.466 1.00 35.03 N ATOM 456 CA GLU A 31 -2.851 1.467 5.578 1.00 25.14 C ATOM 457 C GLU A 31 -3.645 1.577 4.267 1.00 32.42 C ATOM 458 O GLU A 31 -3.973 2.679 3.818 1.00 3.14 O ATOM 459 CB GLU A 31 -3.661 2.089 6.726 1.00 54.14 C ATOM 460 CG GLU A 31 -2.934 2.083 8.069 1.00 61.01 C ATOM 461 CD GLU A 31 -3.785 2.646 9.196 1.00 53.44 C ATOM 462 OE1 GLU A 31 -4.715 1.949 9.645 1.00 51.20 O ATOM 463 OE2 GLU A 31 -3.527 3.782 9.643 1.00 13.32 O ATOM 0 H GLU A 31 -1.593 3.151 5.583 1.00 35.03 H new ATOM 0 HA GLU A 31 -2.672 0.412 5.784 1.00 25.14 H new ATOM 0 HB2 GLU A 31 -3.913 3.117 6.465 1.00 54.14 H new ATOM 0 HB3 GLU A 31 -4.601 1.547 6.830 1.00 54.14 H new ATOM 0 HG2 GLU A 31 -2.641 1.062 8.315 1.00 61.01 H new ATOM 0 HG3 GLU A 31 -2.017 2.666 7.984 1.00 61.01 H new ATOM 470 N PHE A 32 -3.965 0.436 3.661 1.00 40.33 N ATOM 471 CA PHE A 32 -4.685 0.421 2.380 1.00 54.14 C ATOM 472 C PHE A 32 -5.662 -0.762 2.284 1.00 14.33 C ATOM 473 O PHE A 32 -5.394 -1.852 2.795 1.00 22.21 O ATOM 474 CB PHE A 32 -3.690 0.382 1.210 1.00 23.24 C ATOM 475 CG PHE A 32 -2.730 -0.780 1.261 1.00 1.11 C ATOM 476 CD1 PHE A 32 -1.606 -0.732 2.075 1.00 75.30 C ATOM 477 CD2 PHE A 32 -2.950 -1.916 0.496 1.00 20.34 C ATOM 478 CE1 PHE A 32 -0.723 -1.792 2.121 1.00 75.33 C ATOM 479 CE2 PHE A 32 -2.070 -2.978 0.541 1.00 34.42 C ATOM 480 CZ PHE A 32 -0.954 -2.916 1.352 1.00 31.23 C ATOM 0 H PHE A 32 -3.741 -0.488 4.030 1.00 40.33 H new ATOM 0 HA PHE A 32 -5.272 1.338 2.324 1.00 54.14 H new ATOM 0 HB2 PHE A 32 -4.247 0.339 0.274 1.00 23.24 H new ATOM 0 HB3 PHE A 32 -3.120 1.311 1.200 1.00 23.24 H new ATOM 0 HD1 PHE A 32 -1.421 0.144 2.679 1.00 75.30 H new ATOM 0 HD2 PHE A 32 -3.820 -1.970 -0.142 1.00 20.34 H new ATOM 0 HE1 PHE A 32 0.148 -1.743 2.758 1.00 75.33 H new ATOM 0 HE2 PHE A 32 -2.254 -3.858 -0.058 1.00 34.42 H new ATOM 0 HZ PHE A 32 -0.263 -3.745 1.385 1.00 31.23 H new ATOM 490 N LYS A 33 -6.801 -0.534 1.633 1.00 43.24 N ATOM 491 CA LYS A 33 -7.809 -1.581 1.438 1.00 73.03 C ATOM 492 C LYS A 33 -7.695 -2.189 0.033 1.00 33.35 C ATOM 493 O LYS A 33 -8.024 -1.535 -0.953 1.00 1.15 O ATOM 494 CB LYS A 33 -9.219 -1.003 1.635 1.00 32.13 C ATOM 495 CG LYS A 33 -10.313 -2.064 1.718 1.00 70.11 C ATOM 496 CD LYS A 33 -11.724 -1.467 1.708 1.00 23.11 C ATOM 497 CE LYS A 33 -11.899 -0.328 2.714 1.00 64.45 C ATOM 498 NZ LYS A 33 -11.577 0.999 2.118 1.00 2.23 N ATOM 0 H LYS A 33 -7.052 0.369 1.229 1.00 43.24 H new ATOM 0 HA LYS A 33 -7.633 -2.364 2.176 1.00 73.03 H new ATOM 0 HB2 LYS A 33 -9.233 -0.407 2.548 1.00 32.13 H new ATOM 0 HB3 LYS A 33 -9.443 -0.327 0.810 1.00 32.13 H new ATOM 0 HG2 LYS A 33 -10.209 -2.752 0.879 1.00 70.11 H new ATOM 0 HG3 LYS A 33 -10.177 -2.648 2.628 1.00 70.11 H new ATOM 0 HD2 LYS A 33 -11.949 -1.098 0.707 1.00 23.11 H new ATOM 0 HD3 LYS A 33 -12.446 -2.253 1.928 1.00 23.11 H new ATOM 0 HE2 LYS A 33 -12.926 -0.322 3.079 1.00 64.45 H new ATOM 0 HE3 LYS A 33 -11.255 -0.504 3.576 1.00 64.45 H new ATOM 0 HZ1 LYS A 33 -11.868 1.753 2.772 1.00 2.23 H new ATOM 0 HZ2 LYS A 33 -10.553 1.064 1.948 1.00 2.23 H new ATOM 0 HZ3 LYS A 33 -12.085 1.107 1.217 1.00 2.23 H new ATOM 512 N GLN A 34 -7.240 -3.438 -0.052 1.00 3.22 N ATOM 513 CA GLN A 34 -7.050 -4.111 -1.348 1.00 2.02 C ATOM 514 C GLN A 34 -8.369 -4.226 -2.138 1.00 21.21 C ATOM 515 O GLN A 34 -9.457 -4.129 -1.567 1.00 50.51 O ATOM 516 CB GLN A 34 -6.452 -5.510 -1.128 1.00 14.01 C ATOM 517 CG GLN A 34 -5.086 -5.498 -0.446 1.00 52.14 C ATOM 518 CD GLN A 34 -4.539 -6.897 -0.204 1.00 43.32 C ATOM 519 OE1 GLN A 34 -3.856 -7.461 -1.046 1.00 31.33 O ATOM 520 NE2 GLN A 34 -4.845 -7.470 0.946 1.00 43.10 N ATOM 0 H GLN A 34 -6.995 -4.009 0.757 1.00 3.22 H new ATOM 0 HA GLN A 34 -6.363 -3.503 -1.937 1.00 2.02 H new ATOM 0 HB2 GLN A 34 -7.143 -6.099 -0.525 1.00 14.01 H new ATOM 0 HB3 GLN A 34 -6.362 -6.012 -2.091 1.00 14.01 H new ATOM 0 HG2 GLN A 34 -4.382 -4.938 -1.062 1.00 52.14 H new ATOM 0 HG3 GLN A 34 -5.164 -4.973 0.506 1.00 52.14 H new ATOM 0 HE21 GLN A 34 -5.417 -6.972 1.628 1.00 43.10 H new ATOM 0 HE22 GLN A 34 -4.509 -8.411 1.152 1.00 43.10 H new ATOM 529 N LEU A 35 -8.262 -4.443 -3.453 1.00 13.31 N ATOM 530 CA LEU A 35 -9.446 -4.573 -4.328 1.00 3.52 C ATOM 531 C LEU A 35 -10.402 -5.686 -3.859 1.00 44.40 C ATOM 532 O LEU A 35 -11.603 -5.632 -4.118 1.00 53.12 O ATOM 533 CB LEU A 35 -9.019 -4.845 -5.780 1.00 2.10 C ATOM 534 CG LEU A 35 -8.237 -3.716 -6.472 1.00 74.00 C ATOM 535 CD1 LEU A 35 -7.884 -4.109 -7.908 1.00 64.11 C ATOM 536 CD2 LEU A 35 -9.030 -2.409 -6.450 1.00 13.02 C ATOM 0 H LEU A 35 -7.371 -4.533 -3.941 1.00 13.31 H new ATOM 0 HA LEU A 35 -9.981 -3.625 -4.272 1.00 3.52 H new ATOM 0 HB2 LEU A 35 -8.407 -5.747 -5.796 1.00 2.10 H new ATOM 0 HB3 LEU A 35 -9.912 -5.055 -6.368 1.00 2.10 H new ATOM 0 HG LEU A 35 -7.310 -3.558 -5.920 1.00 74.00 H new ATOM 0 HD11 LEU A 35 -7.331 -3.298 -8.382 1.00 64.11 H new ATOM 0 HD12 LEU A 35 -7.270 -5.010 -7.898 1.00 64.11 H new ATOM 0 HD13 LEU A 35 -8.799 -4.300 -8.468 1.00 64.11 H new ATOM 0 HD21 LEU A 35 -8.455 -1.626 -6.945 1.00 13.02 H new ATOM 0 HD22 LEU A 35 -9.977 -2.549 -6.971 1.00 13.02 H new ATOM 0 HD23 LEU A 35 -9.224 -2.118 -5.417 1.00 13.02 H new ATOM 548 N ASP A 36 -9.857 -6.695 -3.180 1.00 61.32 N ATOM 549 CA ASP A 36 -10.655 -7.818 -2.675 1.00 53.24 C ATOM 550 C ASP A 36 -11.419 -7.444 -1.384 1.00 11.20 C ATOM 551 O ASP A 36 -12.305 -8.176 -0.935 1.00 50.24 O ATOM 552 CB ASP A 36 -9.732 -9.018 -2.424 1.00 13.34 C ATOM 553 CG ASP A 36 -10.487 -10.261 -1.987 1.00 65.23 C ATOM 554 OD1 ASP A 36 -11.029 -10.968 -2.862 1.00 5.23 O ATOM 555 OD2 ASP A 36 -10.544 -10.533 -0.769 1.00 25.42 O ATOM 0 H ASP A 36 -8.862 -6.760 -2.965 1.00 61.32 H new ATOM 0 HA ASP A 36 -11.402 -8.076 -3.426 1.00 53.24 H new ATOM 0 HB2 ASP A 36 -9.175 -9.238 -3.335 1.00 13.34 H new ATOM 0 HB3 ASP A 36 -9.001 -8.755 -1.659 1.00 13.34 H new ATOM 560 N GLY A 37 -11.077 -6.299 -0.797 1.00 32.04 N ATOM 561 CA GLY A 37 -11.691 -5.875 0.459 1.00 13.00 C ATOM 562 C GLY A 37 -10.746 -6.003 1.649 1.00 3.14 C ATOM 563 O GLY A 37 -10.938 -5.351 2.679 1.00 64.53 O ATOM 0 H GLY A 37 -10.382 -5.651 -1.169 1.00 32.04 H new ATOM 0 HA2 GLY A 37 -12.016 -4.838 0.368 1.00 13.00 H new ATOM 0 HA3 GLY A 37 -12.583 -6.474 0.643 1.00 13.00 H new ATOM 567 N LYS A 38 -9.723 -6.848 1.507 1.00 24.34 N ATOM 568 CA LYS A 38 -8.724 -7.058 2.562 1.00 75.11 C ATOM 569 C LYS A 38 -7.934 -5.772 2.864 1.00 12.12 C ATOM 570 O LYS A 38 -7.055 -5.378 2.094 1.00 65.05 O ATOM 571 CB LYS A 38 -7.742 -8.167 2.155 1.00 11.15 C ATOM 572 CG LYS A 38 -8.374 -9.547 1.984 1.00 12.35 C ATOM 573 CD LYS A 38 -7.325 -10.592 1.598 1.00 61.23 C ATOM 574 CE LYS A 38 -7.902 -12.002 1.542 1.00 72.33 C ATOM 575 NZ LYS A 38 -8.921 -12.152 0.473 1.00 1.32 N ATOM 0 H LYS A 38 -9.562 -7.403 0.666 1.00 24.34 H new ATOM 0 HA LYS A 38 -9.264 -7.351 3.462 1.00 75.11 H new ATOM 0 HB2 LYS A 38 -7.262 -7.883 1.218 1.00 11.15 H new ATOM 0 HB3 LYS A 38 -6.957 -8.233 2.908 1.00 11.15 H new ATOM 0 HG2 LYS A 38 -8.862 -9.844 2.912 1.00 12.35 H new ATOM 0 HG3 LYS A 38 -9.147 -9.503 1.217 1.00 12.35 H new ATOM 0 HD2 LYS A 38 -6.902 -10.337 0.626 1.00 61.23 H new ATOM 0 HD3 LYS A 38 -6.507 -10.565 2.318 1.00 61.23 H new ATOM 0 HE2 LYS A 38 -7.095 -12.716 1.375 1.00 72.33 H new ATOM 0 HE3 LYS A 38 -8.350 -12.247 2.505 1.00 72.33 H new ATOM 0 HZ1 LYS A 38 -9.722 -12.710 0.833 1.00 1.32 H new ATOM 0 HZ2 LYS A 38 -9.257 -11.213 0.180 1.00 1.32 H new ATOM 0 HZ3 LYS A 38 -8.499 -12.639 -0.343 1.00 1.32 H new ATOM 589 N GLN A 39 -8.250 -5.115 3.977 1.00 71.32 N ATOM 590 CA GLN A 39 -7.515 -3.913 4.390 1.00 64.12 C ATOM 591 C GLN A 39 -6.302 -4.291 5.253 1.00 65.11 C ATOM 592 O GLN A 39 -6.451 -4.866 6.330 1.00 40.51 O ATOM 593 CB GLN A 39 -8.433 -2.949 5.154 1.00 3.01 C ATOM 594 CG GLN A 39 -7.812 -1.575 5.393 1.00 62.22 C ATOM 595 CD GLN A 39 -8.750 -0.624 6.117 1.00 33.13 C ATOM 596 OE1 GLN A 39 -9.564 -1.040 6.937 1.00 52.42 O ATOM 597 NE2 GLN A 39 -8.664 0.656 5.806 1.00 33.02 N ATOM 0 H GLN A 39 -9.003 -5.388 4.608 1.00 71.32 H new ATOM 0 HA GLN A 39 -7.158 -3.409 3.492 1.00 64.12 H new ATOM 0 HB2 GLN A 39 -9.362 -2.827 4.597 1.00 3.01 H new ATOM 0 HB3 GLN A 39 -8.693 -3.393 6.115 1.00 3.01 H new ATOM 0 HG2 GLN A 39 -6.898 -1.691 5.976 1.00 62.22 H new ATOM 0 HG3 GLN A 39 -7.527 -1.139 4.436 1.00 62.22 H new ATOM 0 HE21 GLN A 39 -7.977 0.969 5.121 1.00 33.02 H new ATOM 0 HE22 GLN A 39 -9.285 1.332 6.251 1.00 33.02 H new ATOM 606 N THR A 40 -5.104 -3.959 4.778 1.00 35.41 N ATOM 607 CA THR A 40 -3.866 -4.371 5.455 1.00 73.51 C ATOM 608 C THR A 40 -2.841 -3.234 5.541 1.00 61.22 C ATOM 609 O THR A 40 -2.953 -2.219 4.848 1.00 72.52 O ATOM 610 CB THR A 40 -3.206 -5.580 4.742 1.00 35.14 C ATOM 611 OG1 THR A 40 -1.932 -5.884 5.336 1.00 12.11 O ATOM 612 CG2 THR A 40 -3.020 -5.312 3.251 1.00 43.31 C ATOM 0 H THR A 40 -4.959 -3.409 3.932 1.00 35.41 H new ATOM 0 HA THR A 40 -4.160 -4.654 6.465 1.00 73.51 H new ATOM 0 HB THR A 40 -3.874 -6.433 4.861 1.00 35.14 H new ATOM 0 HG1 THR A 40 -1.531 -6.650 4.875 1.00 12.11 H new ATOM 0 HG21 THR A 40 -2.555 -6.179 2.781 1.00 43.31 H new ATOM 0 HG22 THR A 40 -3.991 -5.126 2.791 1.00 43.31 H new ATOM 0 HG23 THR A 40 -2.381 -4.439 3.115 1.00 43.31 H new ATOM 620 N ARG A 41 -1.842 -3.417 6.402 1.00 41.50 N ATOM 621 CA ARG A 41 -0.745 -2.456 6.552 1.00 73.22 C ATOM 622 C ARG A 41 0.568 -3.041 6.016 1.00 44.13 C ATOM 623 O ARG A 41 0.739 -4.261 5.959 1.00 54.43 O ATOM 624 CB ARG A 41 -0.562 -2.087 8.029 1.00 44.35 C ATOM 625 CG ARG A 41 -1.826 -1.575 8.706 1.00 72.13 C ATOM 626 CD ARG A 41 -1.605 -1.341 10.197 1.00 52.30 C ATOM 627 NE ARG A 41 -1.097 -2.542 10.869 1.00 12.44 N ATOM 628 CZ ARG A 41 -1.558 -3.009 11.998 1.00 71.13 C ATOM 629 NH1 ARG A 41 -2.530 -2.413 12.612 1.00 32.11 N ATOM 630 NH2 ARG A 41 -1.045 -4.081 12.511 1.00 1.23 N ATOM 0 H ARG A 41 -1.768 -4.230 7.013 1.00 41.50 H new ATOM 0 HA ARG A 41 -0.999 -1.564 5.979 1.00 73.22 H new ATOM 0 HB2 ARG A 41 -0.204 -2.963 8.569 1.00 44.35 H new ATOM 0 HB3 ARG A 41 0.213 -1.325 8.108 1.00 44.35 H new ATOM 0 HG2 ARG A 41 -2.142 -0.645 8.233 1.00 72.13 H new ATOM 0 HG3 ARG A 41 -2.633 -2.294 8.565 1.00 72.13 H new ATOM 0 HD2 ARG A 41 -0.900 -0.522 10.335 1.00 52.30 H new ATOM 0 HD3 ARG A 41 -2.543 -1.035 10.660 1.00 52.30 H new ATOM 0 HE ARG A 41 -0.331 -3.047 10.424 1.00 12.44 H new ATOM 0 HH11 ARG A 41 -2.944 -1.570 12.214 1.00 32.11 H new ATOM 0 HH12 ARG A 41 -2.882 -2.787 13.493 1.00 32.11 H new ATOM 0 HH21 ARG A 41 -0.282 -4.560 12.033 1.00 1.23 H new ATOM 0 HH22 ARG A 41 -1.404 -4.447 13.393 1.00 1.23 H new ATOM 644 N ILE A 42 1.497 -2.173 5.630 1.00 23.52 N ATOM 645 CA ILE A 42 2.827 -2.617 5.202 1.00 52.34 C ATOM 646 C ILE A 42 3.897 -1.573 5.562 1.00 73.44 C ATOM 647 O ILE A 42 3.637 -0.372 5.525 1.00 43.21 O ATOM 648 CB ILE A 42 2.851 -2.923 3.681 1.00 44.30 C ATOM 649 CG1 ILE A 42 4.125 -3.696 3.311 1.00 24.23 C ATOM 650 CG2 ILE A 42 2.736 -1.638 2.856 1.00 54.54 C ATOM 651 CD1 ILE A 42 4.108 -4.272 1.914 1.00 24.22 C ATOM 0 H ILE A 42 1.359 -1.163 5.603 1.00 23.52 H new ATOM 0 HA ILE A 42 3.057 -3.539 5.736 1.00 52.34 H new ATOM 0 HB ILE A 42 1.987 -3.546 3.447 1.00 44.30 H new ATOM 0 HG12 ILE A 42 4.983 -3.031 3.409 1.00 24.23 H new ATOM 0 HG13 ILE A 42 4.267 -4.506 4.026 1.00 24.23 H new ATOM 0 HG21 ILE A 42 2.756 -1.884 1.794 1.00 54.54 H new ATOM 0 HG22 ILE A 42 1.799 -1.135 3.095 1.00 54.54 H new ATOM 0 HG23 ILE A 42 3.572 -0.979 3.091 1.00 54.54 H new ATOM 0 HD11 ILE A 42 5.042 -4.803 1.728 1.00 24.22 H new ATOM 0 HD12 ILE A 42 3.271 -4.964 1.816 1.00 24.22 H new ATOM 0 HD13 ILE A 42 3.999 -3.465 1.189 1.00 24.22 H new ATOM 663 N ASN A 43 5.096 -2.034 5.920 1.00 52.55 N ATOM 664 CA ASN A 43 6.141 -1.140 6.442 1.00 41.45 C ATOM 665 C ASN A 43 6.707 -0.210 5.352 1.00 1.55 C ATOM 666 O ASN A 43 6.762 -0.566 4.172 1.00 1.11 O ATOM 667 CB ASN A 43 7.265 -1.961 7.084 1.00 41.24 C ATOM 668 CG ASN A 43 8.192 -1.110 7.939 1.00 11.55 C ATOM 669 OD1 ASN A 43 7.779 -0.111 8.521 1.00 21.04 O ATOM 670 ND2 ASN A 43 9.448 -1.483 8.009 1.00 14.02 N ATOM 0 H ASN A 43 5.371 -3.014 5.860 1.00 52.55 H new ATOM 0 HA ASN A 43 5.682 -0.505 7.199 1.00 41.45 H new ATOM 0 HB2 ASN A 43 6.830 -2.749 7.699 1.00 41.24 H new ATOM 0 HB3 ASN A 43 7.845 -2.451 6.302 1.00 41.24 H new ATOM 0 HD21 ASN A 43 10.112 -0.938 8.559 1.00 14.02 H new ATOM 0 HD22 ASN A 43 9.760 -2.318 7.514 1.00 14.02 H new ATOM 677 N LYS A 44 7.148 0.976 5.774 1.00 44.31 N ATOM 678 CA LYS A 44 7.617 2.026 4.854 1.00 45.43 C ATOM 679 C LYS A 44 8.865 1.627 4.040 1.00 2.20 C ATOM 680 O LYS A 44 9.198 2.285 3.055 1.00 43.42 O ATOM 681 CB LYS A 44 7.886 3.320 5.642 1.00 43.32 C ATOM 682 CG LYS A 44 8.923 3.172 6.758 1.00 72.10 C ATOM 683 CD LYS A 44 8.946 4.388 7.686 1.00 72.22 C ATOM 684 CE LYS A 44 9.415 5.659 6.982 1.00 1.21 C ATOM 685 NZ LYS A 44 10.846 5.588 6.582 1.00 52.03 N ATOM 0 H LYS A 44 7.192 1.240 6.758 1.00 44.31 H new ATOM 0 HA LYS A 44 6.821 2.182 4.126 1.00 45.43 H new ATOM 0 HB2 LYS A 44 8.223 4.091 4.949 1.00 43.32 H new ATOM 0 HB3 LYS A 44 6.949 3.669 6.076 1.00 43.32 H new ATOM 0 HG2 LYS A 44 8.704 2.277 7.340 1.00 72.10 H new ATOM 0 HG3 LYS A 44 9.911 3.033 6.319 1.00 72.10 H new ATOM 0 HD2 LYS A 44 7.947 4.550 8.091 1.00 72.22 H new ATOM 0 HD3 LYS A 44 9.603 4.182 8.531 1.00 72.22 H new ATOM 0 HE2 LYS A 44 8.801 5.829 6.098 1.00 1.21 H new ATOM 0 HE3 LYS A 44 9.267 6.513 7.643 1.00 1.21 H new ATOM 0 HZ1 LYS A 44 11.155 6.517 6.232 1.00 52.03 H new ATOM 0 HZ2 LYS A 44 11.423 5.318 7.404 1.00 52.03 H new ATOM 0 HZ3 LYS A 44 10.961 4.879 5.830 1.00 52.03 H new ATOM 699 N ASP A 45 9.557 0.563 4.438 1.00 33.15 N ATOM 700 CA ASP A 45 10.757 0.120 3.717 1.00 13.12 C ATOM 701 C ASP A 45 10.418 -0.876 2.589 1.00 30.05 C ATOM 702 O ASP A 45 11.244 -1.131 1.710 1.00 70.33 O ATOM 703 CB ASP A 45 11.771 -0.491 4.695 1.00 24.20 C ATOM 704 CG ASP A 45 11.262 -1.739 5.408 1.00 44.12 C ATOM 705 OD1 ASP A 45 10.042 -1.996 5.390 1.00 71.20 O ATOM 706 OD2 ASP A 45 12.089 -2.468 5.997 1.00 3.33 O ATOM 0 H ASP A 45 9.314 -0.007 5.248 1.00 33.15 H new ATOM 0 HA ASP A 45 11.202 0.997 3.248 1.00 13.12 H new ATOM 0 HB2 ASP A 45 12.682 -0.741 4.151 1.00 24.20 H new ATOM 0 HB3 ASP A 45 12.040 0.258 5.440 1.00 24.20 H new ATOM 711 N GLN A 46 9.201 -1.423 2.617 1.00 30.24 N ATOM 712 CA GLN A 46 8.758 -2.391 1.606 1.00 40.12 C ATOM 713 C GLN A 46 8.279 -1.688 0.330 1.00 34.44 C ATOM 714 O GLN A 46 8.353 -2.246 -0.766 1.00 25.21 O ATOM 715 CB GLN A 46 7.600 -3.235 2.153 1.00 13.10 C ATOM 716 CG GLN A 46 7.828 -3.811 3.545 1.00 64.14 C ATOM 717 CD GLN A 46 8.873 -4.913 3.594 1.00 73.42 C ATOM 718 OE1 GLN A 46 9.832 -4.926 2.829 1.00 51.22 O ATOM 719 NE2 GLN A 46 8.691 -5.856 4.498 1.00 21.21 N ATOM 0 H GLN A 46 8.502 -1.213 3.329 1.00 30.24 H new ATOM 0 HA GLN A 46 9.613 -3.024 1.368 1.00 40.12 H new ATOM 0 HB2 GLN A 46 6.700 -2.621 2.173 1.00 13.10 H new ATOM 0 HB3 GLN A 46 7.410 -4.057 1.462 1.00 13.10 H new ATOM 0 HG2 GLN A 46 8.132 -3.006 4.215 1.00 64.14 H new ATOM 0 HG3 GLN A 46 6.884 -4.202 3.924 1.00 64.14 H new ATOM 0 HE21 GLN A 46 7.883 -5.817 5.120 1.00 21.21 H new ATOM 0 HE22 GLN A 46 9.358 -6.624 4.575 1.00 21.21 H new ATOM 728 N VAL A 47 7.776 -0.466 0.484 1.00 70.55 N ATOM 729 CA VAL A 47 7.173 0.270 -0.629 1.00 1.42 C ATOM 730 C VAL A 47 8.222 0.764 -1.642 1.00 23.30 C ATOM 731 O VAL A 47 9.080 1.592 -1.333 1.00 1.12 O ATOM 732 CB VAL A 47 6.316 1.462 -0.123 1.00 45.21 C ATOM 733 CG1 VAL A 47 7.136 2.413 0.747 1.00 74.23 C ATOM 734 CG2 VAL A 47 5.686 2.207 -1.296 1.00 51.34 C ATOM 0 H VAL A 47 7.773 0.039 1.370 1.00 70.55 H new ATOM 0 HA VAL A 47 6.521 -0.435 -1.144 1.00 1.42 H new ATOM 0 HB VAL A 47 5.517 1.056 0.498 1.00 45.21 H new ATOM 0 HG11 VAL A 47 6.504 3.235 1.083 1.00 74.23 H new ATOM 0 HG12 VAL A 47 7.521 1.874 1.613 1.00 74.23 H new ATOM 0 HG13 VAL A 47 7.969 2.810 0.167 1.00 74.23 H new ATOM 0 HG21 VAL A 47 5.090 3.039 -0.921 1.00 51.34 H new ATOM 0 HG22 VAL A 47 6.471 2.589 -1.948 1.00 51.34 H new ATOM 0 HG23 VAL A 47 5.047 1.526 -1.858 1.00 51.34 H new ATOM 744 N ARG A 48 8.150 0.219 -2.850 1.00 11.14 N ATOM 745 CA ARG A 48 9.006 0.640 -3.960 1.00 11.03 C ATOM 746 C ARG A 48 8.444 1.906 -4.629 1.00 24.22 C ATOM 747 O ARG A 48 9.103 2.942 -4.674 1.00 12.52 O ATOM 748 CB ARG A 48 9.122 -0.509 -4.974 1.00 42.23 C ATOM 749 CG ARG A 48 10.036 -0.235 -6.167 1.00 32.13 C ATOM 750 CD ARG A 48 10.226 -1.499 -7.007 1.00 21.34 C ATOM 751 NE ARG A 48 11.077 -1.281 -8.176 1.00 64.34 N ATOM 752 CZ ARG A 48 11.971 -2.134 -8.602 1.00 14.42 C ATOM 753 NH1 ARG A 48 12.189 -3.241 -7.961 1.00 65.10 N ATOM 754 NH2 ARG A 48 12.646 -1.883 -9.674 1.00 24.00 N ATOM 0 H ARG A 48 7.498 -0.527 -3.091 1.00 11.14 H new ATOM 0 HA ARG A 48 9.998 0.881 -3.579 1.00 11.03 H new ATOM 0 HB2 ARG A 48 9.486 -1.395 -4.454 1.00 42.23 H new ATOM 0 HB3 ARG A 48 8.125 -0.745 -5.347 1.00 42.23 H new ATOM 0 HG2 ARG A 48 9.609 0.556 -6.784 1.00 32.13 H new ATOM 0 HG3 ARG A 48 11.004 0.122 -5.815 1.00 32.13 H new ATOM 0 HD2 ARG A 48 10.664 -2.280 -6.385 1.00 21.34 H new ATOM 0 HD3 ARG A 48 9.252 -1.861 -7.335 1.00 21.34 H new ATOM 0 HE ARG A 48 10.966 -0.408 -8.692 1.00 64.34 H new ATOM 0 HH11 ARG A 48 11.660 -3.453 -7.115 1.00 65.10 H new ATOM 0 HH12 ARG A 48 12.889 -3.899 -8.303 1.00 65.10 H new ATOM 0 HH21 ARG A 48 12.482 -1.018 -10.189 1.00 24.00 H new ATOM 0 HH22 ARG A 48 13.343 -2.550 -10.005 1.00 24.00 H new ATOM 768 N THR A 49 7.211 1.815 -5.141 1.00 54.50 N ATOM 769 CA THR A 49 6.544 2.963 -5.785 1.00 70.14 C ATOM 770 C THR A 49 5.023 2.930 -5.566 1.00 53.42 C ATOM 771 O THR A 49 4.375 1.919 -5.836 1.00 74.41 O ATOM 772 CB THR A 49 6.800 3.012 -7.318 1.00 71.23 C ATOM 773 OG1 THR A 49 6.400 1.774 -7.935 1.00 33.24 O ATOM 774 CG2 THR A 49 8.267 3.291 -7.634 1.00 34.33 C ATOM 0 H THR A 49 6.652 0.962 -5.124 1.00 54.50 H new ATOM 0 HA THR A 49 6.974 3.848 -5.316 1.00 70.14 H new ATOM 0 HB THR A 49 6.202 3.829 -7.722 1.00 71.23 H new ATOM 0 HG1 THR A 49 6.566 1.821 -8.900 1.00 33.24 H new ATOM 0 HG21 THR A 49 8.408 3.318 -8.715 1.00 34.33 H new ATOM 0 HG22 THR A 49 8.555 4.251 -7.206 1.00 34.33 H new ATOM 0 HG23 THR A 49 8.887 2.503 -7.207 1.00 34.33 H new ATOM 782 N VAL A 50 4.459 4.040 -5.087 1.00 51.04 N ATOM 783 CA VAL A 50 3.000 4.178 -4.955 1.00 50.22 C ATOM 784 C VAL A 50 2.414 4.874 -6.193 1.00 43.42 C ATOM 785 O VAL A 50 2.739 6.028 -6.481 1.00 60.11 O ATOM 786 CB VAL A 50 2.606 4.983 -3.686 1.00 63.32 C ATOM 787 CG1 VAL A 50 1.085 5.108 -3.569 1.00 15.15 C ATOM 788 CG2 VAL A 50 3.193 4.335 -2.433 1.00 52.31 C ATOM 0 H VAL A 50 4.986 4.858 -4.783 1.00 51.04 H new ATOM 0 HA VAL A 50 2.591 3.172 -4.865 1.00 50.22 H new ATOM 0 HB VAL A 50 3.021 5.987 -3.779 1.00 63.32 H new ATOM 0 HG11 VAL A 50 0.834 5.676 -2.673 1.00 15.15 H new ATOM 0 HG12 VAL A 50 0.694 5.623 -4.446 1.00 15.15 H new ATOM 0 HG13 VAL A 50 0.642 4.114 -3.505 1.00 15.15 H new ATOM 0 HG21 VAL A 50 2.906 4.914 -1.555 1.00 52.31 H new ATOM 0 HG22 VAL A 50 2.813 3.318 -2.337 1.00 52.31 H new ATOM 0 HG23 VAL A 50 4.280 4.310 -2.511 1.00 52.31 H new ATOM 798 N LYS A 51 1.557 4.166 -6.923 1.00 14.10 N ATOM 799 CA LYS A 51 0.978 4.686 -8.168 1.00 2.25 C ATOM 800 C LYS A 51 -0.549 4.816 -8.099 1.00 75.11 C ATOM 801 O LYS A 51 -1.252 3.893 -7.687 1.00 4.21 O ATOM 802 CB LYS A 51 1.350 3.772 -9.340 1.00 34.53 C ATOM 803 CG LYS A 51 2.819 3.834 -9.745 1.00 21.24 C ATOM 804 CD LYS A 51 3.151 2.774 -10.794 1.00 11.52 C ATOM 805 CE LYS A 51 4.303 3.201 -11.694 1.00 31.42 C ATOM 806 NZ LYS A 51 3.923 4.365 -12.532 1.00 21.33 N ATOM 0 H LYS A 51 1.244 3.227 -6.677 1.00 14.10 H new ATOM 0 HA LYS A 51 1.391 5.684 -8.315 1.00 2.25 H new ATOM 0 HB2 LYS A 51 1.101 2.744 -9.076 1.00 34.53 H new ATOM 0 HB3 LYS A 51 0.737 4.038 -10.201 1.00 34.53 H new ATOM 0 HG2 LYS A 51 3.048 4.824 -10.140 1.00 21.24 H new ATOM 0 HG3 LYS A 51 3.447 3.688 -8.866 1.00 21.24 H new ATOM 0 HD2 LYS A 51 3.408 1.839 -10.296 1.00 11.52 H new ATOM 0 HD3 LYS A 51 2.269 2.578 -11.403 1.00 11.52 H new ATOM 0 HE2 LYS A 51 5.170 3.456 -11.084 1.00 31.42 H new ATOM 0 HE3 LYS A 51 4.597 2.369 -12.334 1.00 31.42 H new ATOM 0 HZ1 LYS A 51 4.518 4.388 -13.385 1.00 21.33 H new ATOM 0 HZ2 LYS A 51 2.924 4.282 -12.809 1.00 21.33 H new ATOM 0 HZ3 LYS A 51 4.060 5.242 -11.990 1.00 21.33 H new ATOM 820 N ASP A 52 -1.054 5.970 -8.516 1.00 14.52 N ATOM 821 CA ASP A 52 -2.489 6.171 -8.700 1.00 41.15 C ATOM 822 C ASP A 52 -2.914 5.637 -10.076 1.00 14.41 C ATOM 823 O ASP A 52 -2.262 5.912 -11.079 1.00 34.31 O ATOM 824 CB ASP A 52 -2.831 7.665 -8.603 1.00 74.02 C ATOM 825 CG ASP A 52 -2.475 8.268 -7.256 1.00 24.41 C ATOM 826 OD1 ASP A 52 -3.164 7.963 -6.262 1.00 13.13 O ATOM 827 OD2 ASP A 52 -1.507 9.058 -7.186 1.00 25.02 O ATOM 0 H ASP A 52 -0.487 6.789 -8.735 1.00 14.52 H new ATOM 0 HA ASP A 52 -3.023 5.632 -7.918 1.00 41.15 H new ATOM 0 HB2 ASP A 52 -2.302 8.205 -9.388 1.00 74.02 H new ATOM 0 HB3 ASP A 52 -3.897 7.801 -8.786 1.00 74.02 H new ATOM 832 N LEU A 53 -3.996 4.872 -10.136 1.00 54.43 N ATOM 833 CA LEU A 53 -4.491 4.380 -11.428 1.00 63.33 C ATOM 834 C LEU A 53 -5.291 5.464 -12.168 1.00 3.35 C ATOM 835 O LEU A 53 -5.728 5.262 -13.303 1.00 34.31 O ATOM 836 CB LEU A 53 -5.332 3.109 -11.240 1.00 42.25 C ATOM 837 CG LEU A 53 -4.549 1.886 -10.721 1.00 32.23 C ATOM 838 CD1 LEU A 53 -5.439 0.648 -10.667 1.00 1.34 C ATOM 839 CD2 LEU A 53 -3.313 1.624 -11.583 1.00 11.14 C ATOM 0 H LEU A 53 -4.543 4.580 -9.326 1.00 54.43 H new ATOM 0 HA LEU A 53 -3.627 4.129 -12.043 1.00 63.33 H new ATOM 0 HB2 LEU A 53 -6.142 3.326 -10.544 1.00 42.25 H new ATOM 0 HB3 LEU A 53 -5.792 2.850 -12.194 1.00 42.25 H new ATOM 0 HG LEU A 53 -4.217 2.108 -9.707 1.00 32.23 H new ATOM 0 HD11 LEU A 53 -4.862 -0.199 -10.298 1.00 1.34 H new ATOM 0 HD12 LEU A 53 -6.280 0.833 -9.998 1.00 1.34 H new ATOM 0 HD13 LEU A 53 -5.812 0.425 -11.666 1.00 1.34 H new ATOM 0 HD21 LEU A 53 -2.777 0.757 -11.197 1.00 11.14 H new ATOM 0 HD22 LEU A 53 -3.620 1.433 -12.611 1.00 11.14 H new ATOM 0 HD23 LEU A 53 -2.659 2.496 -11.556 1.00 11.14 H new ATOM 851 N LEU A 54 -5.468 6.618 -11.521 1.00 15.31 N ATOM 852 CA LEU A 54 -6.197 7.748 -12.117 1.00 43.22 C ATOM 853 C LEU A 54 -5.311 9.010 -12.216 1.00 42.24 C ATOM 854 O LEU A 54 -5.818 10.138 -12.244 1.00 14.41 O ATOM 855 CB LEU A 54 -7.454 8.053 -11.289 1.00 40.31 C ATOM 856 CG LEU A 54 -8.440 6.881 -11.118 1.00 35.23 C ATOM 857 CD1 LEU A 54 -9.646 7.310 -10.282 1.00 14.14 C ATOM 858 CD2 LEU A 54 -8.888 6.343 -12.476 1.00 34.03 C ATOM 0 H LEU A 54 -5.116 6.798 -10.581 1.00 15.31 H new ATOM 0 HA LEU A 54 -6.485 7.464 -13.129 1.00 43.22 H new ATOM 0 HB2 LEU A 54 -7.143 8.390 -10.300 1.00 40.31 H new ATOM 0 HB3 LEU A 54 -7.983 8.884 -11.757 1.00 40.31 H new ATOM 0 HG LEU A 54 -7.925 6.078 -10.590 1.00 35.23 H new ATOM 0 HD11 LEU A 54 -10.331 6.469 -10.173 1.00 14.14 H new ATOM 0 HD12 LEU A 54 -9.309 7.634 -9.297 1.00 14.14 H new ATOM 0 HD13 LEU A 54 -10.159 8.133 -10.779 1.00 14.14 H new ATOM 0 HD21 LEU A 54 -9.583 5.517 -12.329 1.00 34.03 H new ATOM 0 HD22 LEU A 54 -9.381 7.137 -13.037 1.00 34.03 H new ATOM 0 HD23 LEU A 54 -8.019 5.991 -13.033 1.00 34.03 H new ATOM 870 N GLU A 55 -3.992 8.819 -12.285 1.00 42.25 N ATOM 871 CA GLU A 55 -3.044 9.946 -12.380 1.00 35.31 C ATOM 872 C GLU A 55 -2.882 10.460 -13.829 1.00 41.04 C ATOM 873 O GLU A 55 -2.746 9.636 -14.758 1.00 36.86 O ATOM 874 CB GLU A 55 -1.680 9.580 -11.750 1.00 11.24 C ATOM 875 CG GLU A 55 -1.017 8.302 -12.278 1.00 31.01 C ATOM 876 CD GLU A 55 -0.149 8.500 -13.514 1.00 74.02 C ATOM 877 OE1 GLU A 55 0.381 9.613 -13.713 1.00 41.32 O ATOM 878 OE2 GLU A 55 0.037 7.524 -14.275 1.00 54.21 O ATOM 0 H GLU A 55 -3.551 7.899 -12.277 1.00 42.25 H new ATOM 0 HA GLU A 55 -3.469 10.770 -11.806 1.00 35.31 H new ATOM 0 HB2 GLU A 55 -0.994 10.413 -11.907 1.00 11.24 H new ATOM 0 HB3 GLU A 55 -1.815 9.477 -10.673 1.00 11.24 H new ATOM 0 HG2 GLU A 55 -0.404 7.872 -11.485 1.00 31.01 H new ATOM 0 HG3 GLU A 55 -1.795 7.574 -12.510 1.00 31.01 H new TER 885 GLU A 55