USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 41 ASN : amide:sc= -1.7! C(o=-1.7!,f=-2.2!) USER MOD Set 1.2: A 56 GLN : amide:sc= -0.034 K(o=-1.7,f=-2.8!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 41:sc= -0.934 USER MOD Single : A 15 THR OG1 : rot -174:sc= -1.42 USER MOD Single : A 20 SER OG : rot -36:sc= 0.739 USER MOD Single : A 21 LYS NZ :NH3+ -127:sc= -1.78 (180deg=-4.06!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.48! C(o=-1.5!,f=-11!) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.311 (180deg=-1.6) USER MOD Single : A 37 ASN : amide:sc= -0.864 X(o=-0.86,f=-0.52) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.48) USER MOD Single : A 39 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.15) USER MOD Single : A 45 MET CE :methyl -153:sc= -0.257 (180deg=-1.34!) USER MOD Single : A 46 ASN : amide:sc= -3.19! K(o=-3.2!,f=-0.022) USER MOD Single : A 48 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.064) USER MOD Single : A 51 GLN : amide:sc= -4.33! C(o=-4.3!,f=-6.8!) USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -0.145 (180deg=-0.725) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -0.726 13.999 -1.106 1.00 0.00 N ATOM 2 CA ILE A 6 0.444 14.450 -0.302 1.00 0.00 C ATOM 3 C ILE A 6 1.728 13.861 -0.934 1.00 0.00 C ATOM 4 O ILE A 6 1.742 12.709 -1.319 1.00 0.00 O ATOM 5 CB ILE A 6 0.253 13.955 1.165 1.00 0.00 C ATOM 6 CG1 ILE A 6 -0.300 15.101 2.028 1.00 0.00 C ATOM 7 CG2 ILE A 6 1.575 13.458 1.779 1.00 0.00 C ATOM 8 CD1 ILE A 6 -0.652 14.578 3.421 1.00 0.00 C ATOM 0 HA ILE A 6 0.529 15.537 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.448 13.120 1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.438 15.899 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.184 15.529 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.398 13.122 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.962 12.629 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.302 14.270 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.043 15.394 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.406 13.795 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.242 14.171 3.893 1.00 0.00 H new ATOM 20 N PRO A 7 2.807 14.617 -1.032 1.00 0.00 N ATOM 21 CA PRO A 7 4.073 14.088 -1.615 1.00 0.00 C ATOM 22 C PRO A 7 4.432 12.711 -1.038 1.00 0.00 C ATOM 23 O PRO A 7 4.452 12.505 0.157 1.00 0.00 O ATOM 24 CB PRO A 7 5.134 15.137 -1.257 1.00 0.00 C ATOM 25 CG PRO A 7 4.381 16.413 -1.000 1.00 0.00 C ATOM 26 CD PRO A 7 2.941 16.029 -0.616 1.00 0.00 C ATOM 0 HA PRO A 7 3.991 13.935 -2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.701 14.834 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.849 15.262 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.853 16.982 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.386 17.047 -1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.772 16.144 0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.213 16.662 -1.123 1.00 0.00 H new ATOM 34 N ILE A 8 4.701 11.771 -1.892 1.00 0.00 N ATOM 35 CA ILE A 8 5.046 10.404 -1.442 1.00 0.00 C ATOM 36 C ILE A 8 6.071 10.441 -0.288 1.00 0.00 C ATOM 37 O ILE A 8 5.953 9.711 0.677 1.00 0.00 O ATOM 38 CB ILE A 8 5.618 9.665 -2.654 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.647 8.175 -2.373 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.012 10.171 -2.959 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.072 7.428 -3.635 1.00 0.00 C ATOM 0 H ILE A 8 4.696 11.897 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 8 4.162 9.893 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 8 4.985 9.850 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.340 7.961 -1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.663 7.836 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.411 9.639 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.972 11.238 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.658 10.000 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.093 6.357 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.362 7.633 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.065 7.760 -3.937 1.00 0.00 H new ATOM 53 N TRP A 9 7.077 11.271 -0.385 1.00 0.00 N ATOM 54 CA TRP A 9 8.112 11.339 0.702 1.00 0.00 C ATOM 55 C TRP A 9 7.534 12.061 1.928 1.00 0.00 C ATOM 56 O TRP A 9 8.255 12.389 2.849 1.00 0.00 O ATOM 57 CB TRP A 9 9.364 12.093 0.185 1.00 0.00 C ATOM 58 CG TRP A 9 8.939 13.014 -0.906 1.00 0.00 C ATOM 59 CD1 TRP A 9 8.394 14.239 -0.731 1.00 0.00 C ATOM 60 CD2 TRP A 9 8.966 12.777 -2.336 1.00 0.00 C ATOM 61 NE1 TRP A 9 8.087 14.767 -1.967 1.00 0.00 N ATOM 62 CE2 TRP A 9 8.410 13.900 -2.986 1.00 0.00 C ATOM 63 CE3 TRP A 9 9.410 11.701 -3.126 1.00 0.00 C ATOM 64 CZ2 TRP A 9 8.288 13.955 -4.368 1.00 0.00 C ATOM 65 CZ3 TRP A 9 9.282 11.751 -4.520 1.00 0.00 C ATOM 66 CH2 TRP A 9 8.719 12.876 -5.136 1.00 0.00 C ATOM 0 H TRP A 9 7.231 11.906 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 9 8.398 10.327 0.989 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.831 12.654 0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.108 11.386 -0.183 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.227 14.724 0.220 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.671 15.688 -2.109 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.851 10.834 -2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.863 14.827 -4.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.618 10.920 -5.122 1.00 0.00 H new ATOM 0 HH2 TRP A 9 8.619 12.907 -6.211 1.00 0.00 H new ATOM 77 N GLU A 10 6.243 12.307 1.951 1.00 0.00 N ATOM 78 CA GLU A 10 5.617 13.005 3.126 1.00 0.00 C ATOM 79 C GLU A 10 4.523 12.111 3.724 1.00 0.00 C ATOM 80 O GLU A 10 4.251 12.170 4.907 1.00 0.00 O ATOM 81 CB GLU A 10 5.011 14.352 2.674 1.00 0.00 C ATOM 82 CG GLU A 10 6.073 15.457 2.749 1.00 0.00 C ATOM 83 CD GLU A 10 5.445 16.798 2.367 1.00 0.00 C ATOM 84 OE1 GLU A 10 4.249 16.946 2.560 1.00 0.00 O ATOM 85 OE2 GLU A 10 6.170 17.654 1.889 1.00 0.00 O ATOM 0 H GLU A 10 5.594 12.054 1.206 1.00 0.00 H new ATOM 0 HA GLU A 10 6.378 13.198 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.634 14.267 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.162 14.609 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.486 15.511 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.900 15.227 2.077 1.00 0.00 H new ATOM 92 N ARG A 11 3.896 11.275 2.934 1.00 0.00 N ATOM 93 CA ARG A 11 2.837 10.391 3.506 1.00 0.00 C ATOM 94 C ARG A 11 3.498 9.191 4.187 1.00 0.00 C ATOM 95 O ARG A 11 4.593 8.788 3.847 1.00 0.00 O ATOM 96 CB ARG A 11 1.854 9.914 2.415 1.00 0.00 C ATOM 97 CG ARG A 11 2.569 9.702 1.077 1.00 0.00 C ATOM 98 CD ARG A 11 1.557 9.195 0.038 1.00 0.00 C ATOM 99 NE ARG A 11 0.316 10.021 0.087 1.00 0.00 N ATOM 100 CZ ARG A 11 -0.546 9.958 -0.890 1.00 0.00 C ATOM 101 NH1 ARG A 11 -0.318 9.181 -1.913 1.00 0.00 N ATOM 102 NH2 ARG A 11 -1.635 10.673 -0.844 1.00 0.00 N ATOM 0 H ARG A 11 4.068 11.168 1.934 1.00 0.00 H new ATOM 0 HA ARG A 11 2.264 10.960 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.382 8.983 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.059 10.649 2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.018 10.636 0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.379 8.983 1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.994 9.240 -0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.316 8.150 0.233 1.00 0.00 H new ATOM 0 HE ARG A 11 0.142 10.634 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.535 8.622 -1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.992 9.132 -2.677 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.812 11.281 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.310 10.624 -1.607 1.00 0.00 H new ATOM 116 N TYR A 12 2.832 8.626 5.154 1.00 0.00 N ATOM 117 CA TYR A 12 3.387 7.452 5.893 1.00 0.00 C ATOM 118 C TYR A 12 2.795 6.175 5.299 1.00 0.00 C ATOM 119 O TYR A 12 3.129 5.074 5.689 1.00 0.00 O ATOM 120 CB TYR A 12 3.001 7.570 7.378 1.00 0.00 C ATOM 121 CG TYR A 12 1.640 8.223 7.493 1.00 0.00 C ATOM 122 CD1 TYR A 12 1.502 9.599 7.260 1.00 0.00 C ATOM 123 CD2 TYR A 12 0.516 7.454 7.820 1.00 0.00 C ATOM 124 CE1 TYR A 12 0.242 10.204 7.353 1.00 0.00 C ATOM 125 CE2 TYR A 12 -0.742 8.059 7.916 1.00 0.00 C ATOM 126 CZ TYR A 12 -0.880 9.433 7.682 1.00 0.00 C ATOM 127 OH TYR A 12 -2.122 10.027 7.774 1.00 0.00 O ATOM 0 H TYR A 12 1.912 8.931 5.471 1.00 0.00 H new ATOM 0 HA TYR A 12 4.473 7.423 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.983 6.583 7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.746 8.159 7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.368 10.193 7.009 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.620 6.394 7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.136 11.263 7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.608 7.466 8.171 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.791 9.351 8.010 1.00 0.00 H new ATOM 137 N THR A 13 1.914 6.328 4.352 1.00 0.00 N ATOM 138 CA THR A 13 1.268 5.154 3.700 1.00 0.00 C ATOM 139 C THR A 13 1.141 5.465 2.203 1.00 0.00 C ATOM 140 O THR A 13 0.805 6.567 1.829 1.00 0.00 O ATOM 141 CB THR A 13 -0.115 4.950 4.331 1.00 0.00 C ATOM 142 OG1 THR A 13 -0.728 6.220 4.498 1.00 0.00 O ATOM 143 CG2 THR A 13 -0.007 4.272 5.717 1.00 0.00 C ATOM 0 H THR A 13 1.608 7.233 3.995 1.00 0.00 H new ATOM 0 HA THR A 13 1.853 4.244 3.835 1.00 0.00 H new ATOM 0 HB THR A 13 -0.703 4.308 3.675 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.553 6.774 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.004 4.142 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.471 3.299 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.588 4.897 6.383 1.00 0.00 H new ATOM 151 N LEU A 14 1.456 4.524 1.344 1.00 0.00 N ATOM 152 CA LEU A 14 1.415 4.798 -0.137 1.00 0.00 C ATOM 153 C LEU A 14 0.136 4.259 -0.799 1.00 0.00 C ATOM 154 O LEU A 14 -0.446 3.285 -0.377 1.00 0.00 O ATOM 155 CB LEU A 14 2.638 4.121 -0.784 1.00 0.00 C ATOM 156 CG LEU A 14 3.849 5.055 -0.737 1.00 0.00 C ATOM 157 CD1 LEU A 14 4.281 5.272 0.714 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.000 4.432 -1.521 1.00 0.00 C ATOM 0 H LEU A 14 1.740 3.578 1.600 1.00 0.00 H new ATOM 0 HA LEU A 14 1.427 5.878 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.866 3.192 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.412 3.859 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 14 3.580 6.014 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.144 5.938 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.460 5.719 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.548 4.314 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.864 5.096 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.264 3.472 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.696 4.283 -2.557 1.00 0.00 H new ATOM 170 N THR A 15 -0.271 4.902 -1.869 1.00 0.00 N ATOM 171 CA THR A 15 -1.481 4.469 -2.626 1.00 0.00 C ATOM 172 C THR A 15 -1.098 3.414 -3.655 1.00 0.00 C ATOM 173 O THR A 15 0.013 2.926 -3.677 1.00 0.00 O ATOM 174 CB THR A 15 -2.072 5.673 -3.354 1.00 0.00 C ATOM 175 OG1 THR A 15 -1.026 6.401 -3.966 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.785 6.570 -2.361 1.00 0.00 C ATOM 0 H THR A 15 0.196 5.723 -2.253 1.00 0.00 H new ATOM 0 HA THR A 15 -2.209 4.052 -1.930 1.00 0.00 H new ATOM 0 HB THR A 15 -2.781 5.330 -4.108 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.385 7.225 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.206 7.429 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.586 6.012 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.076 6.915 -1.608 1.00 0.00 H new ATOM 184 N ILE A 16 -2.010 3.069 -4.521 1.00 0.00 N ATOM 185 CA ILE A 16 -1.697 2.063 -5.553 1.00 0.00 C ATOM 186 C ILE A 16 -0.700 2.670 -6.545 1.00 0.00 C ATOM 187 O ILE A 16 0.193 2.004 -7.024 1.00 0.00 O ATOM 188 CB ILE A 16 -2.982 1.674 -6.297 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.905 0.834 -5.382 1.00 0.00 C ATOM 190 CG2 ILE A 16 -2.619 0.888 -7.563 1.00 0.00 C ATOM 191 CD1 ILE A 16 -3.506 -0.651 -5.400 1.00 0.00 C ATOM 0 H ILE A 16 -2.958 3.445 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.268 1.175 -5.088 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.521 2.579 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.854 1.214 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.939 0.939 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.530 0.611 -8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.997 1.507 -8.210 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.071 -0.013 -7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.173 -1.215 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.582 -1.036 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.480 -0.756 -5.048 1.00 0.00 H new ATOM 203 N GLU A 17 -0.847 3.929 -6.861 1.00 0.00 N ATOM 204 CA GLU A 17 0.101 4.558 -7.823 1.00 0.00 C ATOM 205 C GLU A 17 1.456 4.713 -7.134 1.00 0.00 C ATOM 206 O GLU A 17 2.476 4.324 -7.665 1.00 0.00 O ATOM 207 CB GLU A 17 -0.428 5.926 -8.300 1.00 0.00 C ATOM 208 CG GLU A 17 -1.241 6.593 -7.188 1.00 0.00 C ATOM 209 CD GLU A 17 -2.671 6.040 -7.174 1.00 0.00 C ATOM 210 OE1 GLU A 17 -3.500 6.578 -7.890 1.00 0.00 O ATOM 211 OE2 GLU A 17 -2.914 5.091 -6.447 1.00 0.00 O ATOM 0 H GLU A 17 -1.576 4.544 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 17 0.204 3.924 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.406 6.567 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.049 5.796 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.765 6.416 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.262 7.672 -7.340 1.00 0.00 H new ATOM 218 N GLU A 18 1.479 5.255 -5.946 1.00 0.00 N ATOM 219 CA GLU A 18 2.772 5.395 -5.242 1.00 0.00 C ATOM 220 C GLU A 18 3.292 3.991 -4.923 1.00 0.00 C ATOM 221 O GLU A 18 4.469 3.720 -5.030 1.00 0.00 O ATOM 222 CB GLU A 18 2.578 6.204 -3.949 1.00 0.00 C ATOM 223 CG GLU A 18 1.978 7.591 -4.251 1.00 0.00 C ATOM 224 CD GLU A 18 2.714 8.263 -5.416 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.457 7.888 -6.549 1.00 0.00 O ATOM 226 OE2 GLU A 18 3.513 9.144 -5.157 1.00 0.00 O ATOM 0 H GLU A 18 0.663 5.602 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 18 3.492 5.924 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.922 5.660 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.536 6.321 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.920 7.489 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.042 8.221 -3.363 1.00 0.00 H new ATOM 233 N ALA A 19 2.423 3.086 -4.551 1.00 0.00 N ATOM 234 CA ALA A 19 2.886 1.700 -4.249 1.00 0.00 C ATOM 235 C ALA A 19 3.392 1.042 -5.534 1.00 0.00 C ATOM 236 O ALA A 19 4.429 0.422 -5.556 1.00 0.00 O ATOM 237 CB ALA A 19 1.736 0.871 -3.675 1.00 0.00 C ATOM 0 H ALA A 19 1.421 3.246 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 19 3.691 1.748 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.087 -0.138 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.377 1.334 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.923 0.825 -4.400 1.00 0.00 H new ATOM 243 N SER A 20 2.672 1.156 -6.610 1.00 0.00 N ATOM 244 CA SER A 20 3.150 0.518 -7.864 1.00 0.00 C ATOM 245 C SER A 20 4.573 0.995 -8.179 1.00 0.00 C ATOM 246 O SER A 20 5.442 0.208 -8.472 1.00 0.00 O ATOM 247 CB SER A 20 2.216 0.879 -9.010 1.00 0.00 C ATOM 248 OG SER A 20 2.213 2.290 -9.189 1.00 0.00 O ATOM 0 H SER A 20 1.785 1.656 -6.677 1.00 0.00 H new ATOM 0 HA SER A 20 3.158 -0.565 -7.737 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.539 0.386 -9.927 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.207 0.526 -8.797 1.00 0.00 H new ATOM 0 HG SER A 20 2.285 2.731 -8.317 1.00 0.00 H new ATOM 254 N LYS A 21 4.827 2.272 -8.122 1.00 0.00 N ATOM 255 CA LYS A 21 6.208 2.762 -8.415 1.00 0.00 C ATOM 256 C LYS A 21 7.134 2.412 -7.243 1.00 0.00 C ATOM 257 O LYS A 21 8.140 1.751 -7.400 1.00 0.00 O ATOM 258 CB LYS A 21 6.177 4.281 -8.609 1.00 0.00 C ATOM 259 CG LYS A 21 7.603 4.812 -8.790 1.00 0.00 C ATOM 260 CD LYS A 21 7.556 6.289 -9.195 1.00 0.00 C ATOM 261 CE LYS A 21 6.758 7.093 -8.159 1.00 0.00 C ATOM 262 NZ LYS A 21 5.306 7.020 -8.489 1.00 0.00 N ATOM 0 H LYS A 21 4.146 2.995 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 21 6.579 2.287 -9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.572 4.533 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.709 4.757 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.165 4.697 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.123 4.232 -9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.568 6.685 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.097 6.390 -10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.936 6.697 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.090 8.131 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.913 7.982 -8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.182 6.544 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.809 6.484 -7.750 1.00 0.00 H new ATOM 276 N TYR A 22 6.789 2.870 -6.076 1.00 0.00 N ATOM 277 CA TYR A 22 7.612 2.608 -4.854 1.00 0.00 C ATOM 278 C TYR A 22 7.641 1.098 -4.549 1.00 0.00 C ATOM 279 O TYR A 22 8.688 0.485 -4.486 1.00 0.00 O ATOM 280 CB TYR A 22 6.938 3.371 -3.709 1.00 0.00 C ATOM 281 CG TYR A 22 7.907 3.736 -2.611 1.00 0.00 C ATOM 282 CD1 TYR A 22 8.103 2.866 -1.535 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.574 4.969 -2.648 1.00 0.00 C ATOM 284 CE1 TYR A 22 8.972 3.219 -0.497 1.00 0.00 C ATOM 285 CE2 TYR A 22 9.441 5.328 -1.609 1.00 0.00 C ATOM 286 CZ TYR A 22 9.641 4.451 -0.532 1.00 0.00 C ATOM 287 OH TYR A 22 10.496 4.801 0.494 1.00 0.00 O ATOM 0 H TYR A 22 5.952 3.429 -5.908 1.00 0.00 H new ATOM 0 HA TYR A 22 8.643 2.934 -4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.479 4.279 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.135 2.762 -3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.583 1.920 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.419 5.642 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.128 2.543 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.955 6.278 -1.636 1.00 0.00 H new ATOM 0 HH TYR A 22 10.878 5.685 0.314 1.00 0.00 H new ATOM 297 N PHE A 23 6.491 0.504 -4.371 1.00 0.00 N ATOM 298 CA PHE A 23 6.404 -0.961 -4.083 1.00 0.00 C ATOM 299 C PHE A 23 6.210 -1.710 -5.401 1.00 0.00 C ATOM 300 O PHE A 23 5.165 -2.269 -5.644 1.00 0.00 O ATOM 301 CB PHE A 23 5.196 -1.239 -3.170 1.00 0.00 C ATOM 302 CG PHE A 23 5.552 -0.959 -1.731 1.00 0.00 C ATOM 303 CD1 PHE A 23 5.518 0.351 -1.246 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.905 -2.012 -0.883 1.00 0.00 C ATOM 305 CE1 PHE A 23 5.837 0.612 0.089 1.00 0.00 C ATOM 306 CE2 PHE A 23 6.226 -1.756 0.451 1.00 0.00 C ATOM 307 CZ PHE A 23 6.192 -0.443 0.939 1.00 0.00 C ATOM 0 H PHE A 23 5.590 0.980 -4.414 1.00 0.00 H new ATOM 0 HA PHE A 23 7.317 -1.292 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.353 -0.617 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.881 -2.277 -3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.245 1.163 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.929 -3.024 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.810 1.624 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.500 -2.569 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.440 -0.244 1.971 1.00 0.00 H new ATOM 317 N ARG A 24 7.194 -1.701 -6.256 1.00 0.00 N ATOM 318 CA ARG A 24 7.063 -2.398 -7.577 1.00 0.00 C ATOM 319 C ARG A 24 6.392 -3.758 -7.407 1.00 0.00 C ATOM 320 O ARG A 24 7.042 -4.774 -7.263 1.00 0.00 O ATOM 321 CB ARG A 24 8.447 -2.590 -8.213 1.00 0.00 C ATOM 322 CG ARG A 24 8.962 -1.257 -8.817 1.00 0.00 C ATOM 323 CD ARG A 24 9.806 -0.503 -7.784 1.00 0.00 C ATOM 324 NE ARG A 24 10.965 -1.349 -7.380 1.00 0.00 N ATOM 325 CZ ARG A 24 11.966 -0.821 -6.729 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.954 0.450 -6.429 1.00 0.00 N ATOM 327 NH2 ARG A 24 12.981 -1.563 -6.378 1.00 0.00 N ATOM 0 H ARG A 24 8.090 -1.240 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 24 6.446 -1.778 -8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.151 -2.951 -7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.393 -3.351 -8.992 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.557 -1.458 -9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.119 -0.641 -9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.158 0.439 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.200 -0.257 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 24 10.976 -2.342 -7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.162 1.031 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.737 0.861 -5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.992 -2.556 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.763 -1.150 -5.869 1.00 0.00 H new ATOM 341 N ILE A 25 5.088 -3.772 -7.445 1.00 0.00 N ATOM 342 CA ILE A 25 4.324 -5.049 -7.306 1.00 0.00 C ATOM 343 C ILE A 25 3.186 -5.037 -8.344 1.00 0.00 C ATOM 344 O ILE A 25 2.938 -4.038 -8.990 1.00 0.00 O ATOM 345 CB ILE A 25 3.786 -5.155 -5.842 1.00 0.00 C ATOM 346 CG1 ILE A 25 4.144 -6.529 -5.234 1.00 0.00 C ATOM 347 CG2 ILE A 25 2.263 -4.957 -5.777 1.00 0.00 C ATOM 348 CD1 ILE A 25 5.610 -6.535 -4.773 1.00 0.00 C ATOM 0 H ILE A 25 4.509 -2.941 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 25 4.951 -5.921 -7.492 1.00 0.00 H new ATOM 0 HB ILE A 25 4.262 -4.360 -5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.488 -6.744 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.983 -7.315 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.929 -5.038 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.007 -3.971 -6.164 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.771 -5.722 -6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.853 -7.508 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.260 -6.340 -5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.758 -5.761 -4.020 1.00 0.00 H new ATOM 360 N GLY A 26 2.497 -6.131 -8.508 1.00 0.00 N ATOM 361 CA GLY A 26 1.385 -6.166 -9.501 1.00 0.00 C ATOM 362 C GLY A 26 0.293 -5.171 -9.094 1.00 0.00 C ATOM 363 O GLY A 26 -0.370 -5.340 -8.091 1.00 0.00 O ATOM 0 H GLY A 26 2.654 -7.001 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.763 -5.919 -10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.969 -7.172 -9.560 1.00 0.00 H new ATOM 367 N GLU A 27 0.092 -4.140 -9.870 1.00 0.00 N ATOM 368 CA GLU A 27 -0.967 -3.142 -9.532 1.00 0.00 C ATOM 369 C GLU A 27 -2.268 -3.891 -9.204 1.00 0.00 C ATOM 370 O GLU A 27 -2.932 -3.620 -8.222 1.00 0.00 O ATOM 371 CB GLU A 27 -1.197 -2.227 -10.748 1.00 0.00 C ATOM 372 CG GLU A 27 -0.173 -1.082 -10.749 1.00 0.00 C ATOM 373 CD GLU A 27 -0.039 -0.505 -12.162 1.00 0.00 C ATOM 374 OE1 GLU A 27 0.743 -1.042 -12.928 1.00 0.00 O ATOM 375 OE2 GLU A 27 -0.723 0.463 -12.452 1.00 0.00 O ATOM 0 H GLU A 27 0.615 -3.945 -10.724 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.660 -2.543 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.110 -2.804 -11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.208 -1.821 -10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.486 -0.301 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.794 -1.447 -10.402 1.00 0.00 H new ATOM 382 N ASN A 28 -2.631 -4.825 -10.039 1.00 0.00 N ATOM 383 CA ASN A 28 -3.883 -5.607 -9.822 1.00 0.00 C ATOM 384 C ASN A 28 -3.783 -6.434 -8.539 1.00 0.00 C ATOM 385 O ASN A 28 -4.777 -6.744 -7.912 1.00 0.00 O ATOM 386 CB ASN A 28 -4.084 -6.551 -11.006 1.00 0.00 C ATOM 387 CG ASN A 28 -5.483 -7.166 -10.944 1.00 0.00 C ATOM 388 OD1 ASN A 28 -5.626 -8.359 -10.768 1.00 0.00 O ATOM 389 ND2 ASN A 28 -6.528 -6.397 -11.085 1.00 0.00 N ATOM 0 H ASN A 28 -2.106 -5.084 -10.875 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.723 -4.918 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.956 -6.008 -11.942 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.330 -7.337 -10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.465 -6.798 -11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.408 -5.395 -11.233 1.00 0.00 H new ATOM 396 N LYS A 29 -2.596 -6.799 -8.142 1.00 0.00 N ATOM 397 CA LYS A 29 -2.445 -7.610 -6.901 1.00 0.00 C ATOM 398 C LYS A 29 -2.857 -6.753 -5.708 1.00 0.00 C ATOM 399 O LYS A 29 -3.734 -7.107 -4.945 1.00 0.00 O ATOM 400 CB LYS A 29 -0.977 -8.025 -6.752 1.00 0.00 C ATOM 401 CG LYS A 29 -0.805 -8.988 -5.561 1.00 0.00 C ATOM 402 CD LYS A 29 0.630 -8.897 -5.034 1.00 0.00 C ATOM 403 CE LYS A 29 1.605 -9.322 -6.135 1.00 0.00 C ATOM 404 NZ LYS A 29 2.944 -9.591 -5.538 1.00 0.00 N ATOM 0 H LYS A 29 -1.725 -6.572 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.071 -8.501 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.634 -8.506 -7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.356 -7.141 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.511 -8.735 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.026 -10.009 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.848 -7.878 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.749 -9.538 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.234 -10.214 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.682 -8.539 -6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.682 -9.429 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.099 -8.954 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.987 -10.578 -5.213 1.00 0.00 H new ATOM 418 N LEU A 30 -2.230 -5.624 -5.552 1.00 0.00 N ATOM 419 CA LEU A 30 -2.571 -4.715 -4.417 1.00 0.00 C ATOM 420 C LEU A 30 -4.092 -4.613 -4.265 1.00 0.00 C ATOM 421 O LEU A 30 -4.633 -4.799 -3.193 1.00 0.00 O ATOM 422 CB LEU A 30 -2.012 -3.324 -4.709 1.00 0.00 C ATOM 423 CG LEU A 30 -0.481 -3.362 -4.771 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.033 -2.024 -5.321 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.109 -3.603 -3.367 1.00 0.00 C ATOM 0 H LEU A 30 -1.489 -5.286 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.141 -5.113 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.411 -2.957 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.333 -2.627 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.171 -4.178 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.122 -2.044 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.370 -1.863 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.287 -1.214 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.197 -3.627 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.199 -2.798 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.254 -4.555 -2.978 1.00 0.00 H new ATOM 437 N ARG A 31 -4.784 -4.308 -5.329 1.00 0.00 N ATOM 438 CA ARG A 31 -6.268 -4.180 -5.248 1.00 0.00 C ATOM 439 C ARG A 31 -6.888 -5.510 -4.811 1.00 0.00 C ATOM 440 O ARG A 31 -7.897 -5.542 -4.135 1.00 0.00 O ATOM 441 CB ARG A 31 -6.822 -3.791 -6.620 1.00 0.00 C ATOM 442 CG ARG A 31 -6.021 -2.616 -7.186 1.00 0.00 C ATOM 443 CD ARG A 31 -6.586 -2.225 -8.552 1.00 0.00 C ATOM 444 NE ARG A 31 -7.916 -1.580 -8.371 1.00 0.00 N ATOM 445 CZ ARG A 31 -8.461 -0.919 -9.356 1.00 0.00 C ATOM 446 NH1 ARG A 31 -7.845 -0.832 -10.503 1.00 0.00 N ATOM 447 NH2 ARG A 31 -9.622 -0.346 -9.194 1.00 0.00 N ATOM 0 H ARG A 31 -4.385 -4.142 -6.253 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.518 -3.411 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.767 -4.642 -7.299 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.874 -3.519 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.069 -1.767 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.970 -2.890 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.904 -1.542 -9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.681 -3.107 -9.185 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.401 -1.655 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.938 -1.280 -10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.271 -0.316 -11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.104 -0.414 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.048 0.170 -9.964 1.00 0.00 H new ATOM 461 N ARG A 32 -6.301 -6.608 -5.199 1.00 0.00 N ATOM 462 CA ARG A 32 -6.869 -7.932 -4.813 1.00 0.00 C ATOM 463 C ARG A 32 -6.592 -8.209 -3.334 1.00 0.00 C ATOM 464 O ARG A 32 -7.433 -8.723 -2.625 1.00 0.00 O ATOM 465 CB ARG A 32 -6.223 -9.032 -5.664 1.00 0.00 C ATOM 466 CG ARG A 32 -6.840 -9.034 -7.071 1.00 0.00 C ATOM 467 CD ARG A 32 -8.321 -9.490 -7.022 1.00 0.00 C ATOM 468 NE ARG A 32 -8.581 -10.514 -8.086 1.00 0.00 N ATOM 469 CZ ARG A 32 -8.168 -10.337 -9.314 1.00 0.00 C ATOM 470 NH1 ARG A 32 -7.598 -9.218 -9.663 1.00 0.00 N ATOM 471 NH2 ARG A 32 -8.352 -11.276 -10.203 1.00 0.00 N ATOM 0 H ARG A 32 -5.454 -6.647 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.946 -7.920 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.147 -8.869 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.370 -10.003 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.776 -8.035 -7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.271 -9.699 -7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.549 -9.908 -6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.978 -8.632 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.090 -11.365 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.472 -8.474 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.278 -9.086 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.817 -12.145 -9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.031 -11.141 -11.162 1.00 0.00 H new ATOM 485 N LEU A 33 -5.421 -7.885 -2.865 1.00 0.00 N ATOM 486 CA LEU A 33 -5.097 -8.147 -1.433 1.00 0.00 C ATOM 487 C LEU A 33 -6.020 -7.322 -0.533 1.00 0.00 C ATOM 488 O LEU A 33 -6.599 -7.829 0.408 1.00 0.00 O ATOM 489 CB LEU A 33 -3.637 -7.760 -1.161 1.00 0.00 C ATOM 490 CG LEU A 33 -2.684 -8.769 -1.828 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.320 -8.113 -2.067 1.00 0.00 C ATOM 492 CD2 LEU A 33 -2.491 -10.002 -0.931 1.00 0.00 C ATOM 0 H LEU A 33 -4.675 -7.451 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.241 -9.206 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.442 -6.758 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.455 -7.733 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.122 -9.079 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.649 -8.831 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.442 -7.247 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.898 -7.794 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.815 -10.704 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.067 -9.694 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.454 -10.484 -0.762 1.00 0.00 H new ATOM 504 N ALA A 34 -6.159 -6.056 -0.809 1.00 0.00 N ATOM 505 CA ALA A 34 -7.040 -5.199 0.035 1.00 0.00 C ATOM 506 C ALA A 34 -8.485 -5.694 -0.049 1.00 0.00 C ATOM 507 O ALA A 34 -9.062 -6.131 0.927 1.00 0.00 O ATOM 508 CB ALA A 34 -6.974 -3.757 -0.471 1.00 0.00 C ATOM 0 H ALA A 34 -5.700 -5.576 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.702 -5.247 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.617 -3.126 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.947 -3.397 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.311 -3.719 -1.507 1.00 0.00 H new ATOM 514 N GLU A 35 -9.075 -5.614 -1.208 1.00 0.00 N ATOM 515 CA GLU A 35 -10.488 -6.061 -1.367 1.00 0.00 C ATOM 516 C GLU A 35 -10.657 -7.485 -0.823 1.00 0.00 C ATOM 517 O GLU A 35 -11.749 -7.900 -0.490 1.00 0.00 O ATOM 518 CB GLU A 35 -10.859 -6.031 -2.854 1.00 0.00 C ATOM 519 CG GLU A 35 -11.144 -4.590 -3.288 1.00 0.00 C ATOM 520 CD GLU A 35 -11.489 -4.563 -4.779 1.00 0.00 C ATOM 521 OE1 GLU A 35 -11.083 -5.478 -5.477 1.00 0.00 O ATOM 522 OE2 GLU A 35 -12.153 -3.629 -5.196 1.00 0.00 O ATOM 0 H GLU A 35 -8.638 -5.256 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.142 -5.392 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.046 -6.446 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.735 -6.654 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.969 -4.180 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.274 -3.962 -3.094 1.00 0.00 H new ATOM 529 N GLU A 36 -9.595 -8.241 -0.733 1.00 0.00 N ATOM 530 CA GLU A 36 -9.710 -9.628 -0.218 1.00 0.00 C ATOM 531 C GLU A 36 -9.672 -9.608 1.313 1.00 0.00 C ATOM 532 O GLU A 36 -10.330 -10.394 1.967 1.00 0.00 O ATOM 533 CB GLU A 36 -8.539 -10.454 -0.761 1.00 0.00 C ATOM 534 CG GLU A 36 -8.461 -11.786 -0.022 1.00 0.00 C ATOM 535 CD GLU A 36 -7.575 -12.761 -0.800 1.00 0.00 C ATOM 536 OE1 GLU A 36 -6.688 -12.298 -1.497 1.00 0.00 O ATOM 537 OE2 GLU A 36 -7.800 -13.954 -0.685 1.00 0.00 O ATOM 0 H GLU A 36 -8.652 -7.953 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.651 -10.072 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.669 -10.627 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.606 -9.904 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.057 -11.634 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.460 -12.205 0.097 1.00 0.00 H new ATOM 544 N ASN A 37 -8.899 -8.720 1.886 1.00 0.00 N ATOM 545 CA ASN A 37 -8.800 -8.639 3.379 1.00 0.00 C ATOM 546 C ASN A 37 -8.965 -7.186 3.824 1.00 0.00 C ATOM 547 O ASN A 37 -8.078 -6.600 4.410 1.00 0.00 O ATOM 548 CB ASN A 37 -7.431 -9.160 3.821 1.00 0.00 C ATOM 549 CG ASN A 37 -7.230 -10.580 3.287 1.00 0.00 C ATOM 550 OD1 ASN A 37 -7.983 -11.475 3.614 1.00 0.00 O ATOM 551 ND2 ASN A 37 -6.243 -10.824 2.469 1.00 0.00 N ATOM 0 H ASN A 37 -8.328 -8.042 1.382 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.585 -9.244 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.643 -8.505 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.362 -9.156 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.104 -11.766 2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.611 -10.072 2.194 1.00 0.00 H new ATOM 558 N LYS A 38 -10.102 -6.602 3.556 1.00 0.00 N ATOM 559 CA LYS A 38 -10.338 -5.187 3.970 1.00 0.00 C ATOM 560 C LYS A 38 -9.898 -5.007 5.430 1.00 0.00 C ATOM 561 O LYS A 38 -9.711 -3.903 5.901 1.00 0.00 O ATOM 562 CB LYS A 38 -11.838 -4.837 3.817 1.00 0.00 C ATOM 563 CG LYS A 38 -12.704 -6.113 3.931 1.00 0.00 C ATOM 564 CD LYS A 38 -12.917 -6.743 2.537 1.00 0.00 C ATOM 565 CE LYS A 38 -13.174 -8.247 2.675 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.209 -8.481 3.722 1.00 0.00 N ATOM 0 H LYS A 38 -10.880 -7.044 3.067 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.758 -4.518 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.131 -4.121 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.010 -4.358 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.220 -6.832 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.668 -5.868 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.761 -6.266 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.040 -6.571 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.506 -8.659 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.250 -8.762 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.604 -9.437 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.777 -8.391 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.970 -7.779 3.621 1.00 0.00 H new ATOM 580 N ASN A 39 -9.736 -6.087 6.150 1.00 0.00 N ATOM 581 CA ASN A 39 -9.314 -5.994 7.577 1.00 0.00 C ATOM 582 C ASN A 39 -7.804 -6.220 7.676 1.00 0.00 C ATOM 583 O ASN A 39 -7.272 -6.479 8.737 1.00 0.00 O ATOM 584 CB ASN A 39 -10.040 -7.074 8.377 1.00 0.00 C ATOM 585 CG ASN A 39 -11.546 -6.805 8.354 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.140 -6.513 9.373 1.00 0.00 O ATOM 587 ND2 ASN A 39 -12.194 -6.892 7.224 1.00 0.00 N ATOM 0 H ASN A 39 -9.880 -7.037 5.806 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.560 -5.009 7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.829 -8.057 7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.678 -7.084 9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.198 -6.715 7.197 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.696 -7.137 6.368 1.00 0.00 H new ATOM 594 N ALA A 40 -7.111 -6.124 6.575 1.00 0.00 N ATOM 595 CA ALA A 40 -5.636 -6.332 6.598 1.00 0.00 C ATOM 596 C ALA A 40 -5.006 -5.374 7.622 1.00 0.00 C ATOM 597 O ALA A 40 -5.415 -4.241 7.764 1.00 0.00 O ATOM 598 CB ALA A 40 -5.068 -6.069 5.183 1.00 0.00 C ATOM 0 H ALA A 40 -7.504 -5.910 5.658 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.402 -7.356 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.988 -6.219 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.525 -6.759 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.290 -5.044 4.887 1.00 0.00 H new ATOM 604 N ASN A 41 -4.017 -5.822 8.336 1.00 0.00 N ATOM 605 CA ASN A 41 -3.364 -4.936 9.338 1.00 0.00 C ATOM 606 C ASN A 41 -2.435 -3.944 8.624 1.00 0.00 C ATOM 607 O ASN A 41 -1.758 -3.159 9.257 1.00 0.00 O ATOM 608 CB ASN A 41 -2.547 -5.790 10.310 1.00 0.00 C ATOM 609 CG ASN A 41 -1.970 -4.903 11.414 1.00 0.00 C ATOM 610 OD1 ASN A 41 -0.979 -4.230 11.213 1.00 0.00 O ATOM 611 ND2 ASN A 41 -2.549 -4.876 12.583 1.00 0.00 N ATOM 0 H ASN A 41 -3.631 -6.764 8.271 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.127 -4.383 9.886 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.177 -6.566 10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.741 -6.295 9.777 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.169 -4.290 13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.381 -5.441 12.753 1.00 0.00 H new ATOM 618 N TRP A 42 -2.373 -3.995 7.309 1.00 0.00 N ATOM 619 CA TRP A 42 -1.456 -3.078 6.547 1.00 0.00 C ATOM 620 C TRP A 42 -2.231 -2.200 5.552 1.00 0.00 C ATOM 621 O TRP A 42 -1.710 -1.216 5.067 1.00 0.00 O ATOM 622 CB TRP A 42 -0.461 -3.932 5.760 1.00 0.00 C ATOM 623 CG TRP A 42 -1.216 -4.999 5.035 1.00 0.00 C ATOM 624 CD1 TRP A 42 -1.401 -6.260 5.489 1.00 0.00 C ATOM 625 CD2 TRP A 42 -1.902 -4.920 3.749 1.00 0.00 C ATOM 626 NE1 TRP A 42 -2.155 -6.961 4.566 1.00 0.00 N ATOM 627 CE2 TRP A 42 -2.488 -6.180 3.478 1.00 0.00 C ATOM 628 CE3 TRP A 42 -2.070 -3.892 2.800 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -3.216 -6.413 2.312 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -2.803 -4.125 1.624 1.00 0.00 C ATOM 631 CH2 TRP A 42 -3.376 -5.381 1.382 1.00 0.00 C ATOM 0 H TRP A 42 -2.919 -4.633 6.730 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.951 -2.428 7.261 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.092 -3.313 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.271 -4.378 6.434 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.022 -6.655 6.420 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.431 -7.937 4.676 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.633 -2.920 2.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.653 -7.383 2.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.926 -3.331 0.902 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.941 -5.552 0.478 1.00 0.00 H new ATOM 642 N LEU A 43 -3.445 -2.553 5.207 1.00 0.00 N ATOM 643 CA LEU A 43 -4.201 -1.739 4.207 1.00 0.00 C ATOM 644 C LEU A 43 -5.070 -0.684 4.903 1.00 0.00 C ATOM 645 O LEU A 43 -5.410 -0.797 6.063 1.00 0.00 O ATOM 646 CB LEU A 43 -5.055 -2.713 3.355 1.00 0.00 C ATOM 647 CG LEU A 43 -6.535 -2.808 3.820 1.00 0.00 C ATOM 648 CD1 LEU A 43 -6.648 -3.044 5.348 1.00 0.00 C ATOM 649 CD2 LEU A 43 -7.336 -1.545 3.391 1.00 0.00 C ATOM 0 H LEU A 43 -3.942 -3.365 5.573 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.513 -1.193 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.029 -2.391 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.606 -3.706 3.393 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.974 -3.675 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.699 -3.104 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.148 -3.976 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.176 -2.218 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.368 -1.637 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.885 -0.659 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.316 -1.453 2.305 1.00 0.00 H new ATOM 661 N ILE A 44 -5.424 0.346 4.179 1.00 0.00 N ATOM 662 CA ILE A 44 -6.272 1.432 4.733 1.00 0.00 C ATOM 663 C ILE A 44 -7.231 1.873 3.619 1.00 0.00 C ATOM 664 O ILE A 44 -6.957 1.676 2.451 1.00 0.00 O ATOM 665 CB ILE A 44 -5.354 2.594 5.159 1.00 0.00 C ATOM 666 CG1 ILE A 44 -4.839 2.351 6.589 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.109 3.927 5.108 1.00 0.00 C ATOM 668 CD1 ILE A 44 -3.571 3.171 6.819 1.00 0.00 C ATOM 0 H ILE A 44 -5.152 0.478 3.205 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.844 1.105 5.601 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.513 2.641 4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.603 2.631 7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.632 1.291 6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.443 4.734 5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.458 4.109 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.963 3.887 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.206 3.000 7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.808 2.869 6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.794 4.230 6.688 1.00 0.00 H new ATOM 680 N MET A 45 -8.349 2.460 3.965 1.00 0.00 N ATOM 681 CA MET A 45 -9.324 2.908 2.919 1.00 0.00 C ATOM 682 C MET A 45 -9.802 4.323 3.232 1.00 0.00 C ATOM 683 O MET A 45 -10.578 4.547 4.140 1.00 0.00 O ATOM 684 CB MET A 45 -10.527 1.963 2.899 1.00 0.00 C ATOM 685 CG MET A 45 -10.063 0.542 2.565 1.00 0.00 C ATOM 686 SD MET A 45 -9.347 0.501 0.902 1.00 0.00 S ATOM 687 CE MET A 45 -10.849 0.913 -0.021 1.00 0.00 C ATOM 0 H MET A 45 -8.631 2.649 4.927 1.00 0.00 H new ATOM 0 HA MET A 45 -8.833 2.896 1.946 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.026 1.974 3.868 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.255 2.301 2.161 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.326 0.210 3.296 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.905 -0.148 2.625 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.786 0.493 -1.025 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.717 0.498 0.492 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.950 1.996 -0.087 1.00 0.00 H new ATOM 697 N ASN A 46 -9.348 5.281 2.470 1.00 0.00 N ATOM 698 CA ASN A 46 -9.769 6.695 2.689 1.00 0.00 C ATOM 699 C ASN A 46 -10.857 7.040 1.674 1.00 0.00 C ATOM 700 O ASN A 46 -10.588 7.579 0.618 1.00 0.00 O ATOM 701 CB ASN A 46 -8.565 7.618 2.486 1.00 0.00 C ATOM 702 CG ASN A 46 -7.651 7.539 3.710 1.00 0.00 C ATOM 703 OD1 ASN A 46 -6.850 8.422 3.944 1.00 0.00 O ATOM 704 ND2 ASN A 46 -7.737 6.508 4.506 1.00 0.00 N ATOM 0 H ASN A 46 -8.697 5.143 1.697 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.152 6.823 3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.017 7.327 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.901 8.644 2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.132 6.444 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.410 5.767 4.310 1.00 0.00 H new ATOM 711 N GLY A 47 -12.084 6.717 1.976 1.00 0.00 N ATOM 712 CA GLY A 47 -13.189 7.008 1.021 1.00 0.00 C ATOM 713 C GLY A 47 -13.254 5.891 -0.009 1.00 0.00 C ATOM 714 O GLY A 47 -14.089 5.011 0.062 1.00 0.00 O ATOM 0 H GLY A 47 -12.369 6.264 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.137 7.086 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.020 7.966 0.529 1.00 0.00 H new ATOM 718 N ASN A 48 -12.380 5.924 -0.975 1.00 0.00 N ATOM 719 CA ASN A 48 -12.390 4.870 -2.027 1.00 0.00 C ATOM 720 C ASN A 48 -10.962 4.606 -2.525 1.00 0.00 C ATOM 721 O ASN A 48 -10.746 3.797 -3.405 1.00 0.00 O ATOM 722 CB ASN A 48 -13.262 5.358 -3.182 1.00 0.00 C ATOM 723 CG ASN A 48 -13.644 4.178 -4.079 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.283 4.140 -5.239 1.00 0.00 O ATOM 725 ND2 ASN A 48 -14.362 3.206 -3.587 1.00 0.00 N ATOM 0 H ASN A 48 -11.658 6.636 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.788 3.940 -1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.161 5.837 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.726 6.109 -3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.620 2.414 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.665 3.238 -2.614 1.00 0.00 H new ATOM 732 N ARG A 49 -9.985 5.282 -1.972 1.00 0.00 N ATOM 733 CA ARG A 49 -8.571 5.071 -2.415 1.00 0.00 C ATOM 734 C ARG A 49 -7.865 4.115 -1.448 1.00 0.00 C ATOM 735 O ARG A 49 -7.902 4.293 -0.247 1.00 0.00 O ATOM 736 CB ARG A 49 -7.846 6.418 -2.422 1.00 0.00 C ATOM 737 CG ARG A 49 -8.527 7.361 -3.422 1.00 0.00 C ATOM 738 CD ARG A 49 -8.140 8.808 -3.109 1.00 0.00 C ATOM 739 NE ARG A 49 -8.803 9.722 -4.081 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.871 11.001 -3.829 1.00 0.00 C ATOM 741 NH1 ARG A 49 -8.363 11.476 -2.725 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.448 11.804 -4.681 1.00 0.00 N ATOM 0 H ARG A 49 -10.106 5.973 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.560 4.640 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.861 6.856 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.799 6.278 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.229 7.106 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.609 7.244 -3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.438 9.063 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.058 8.926 -3.163 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.203 9.349 -4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.913 10.848 -2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.416 12.475 -2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.846 11.432 -5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.501 12.803 -4.484 1.00 0.00 H new ATOM 756 N ILE A 50 -7.223 3.098 -1.964 1.00 0.00 N ATOM 757 CA ILE A 50 -6.516 2.128 -1.077 1.00 0.00 C ATOM 758 C ILE A 50 -5.125 2.659 -0.732 1.00 0.00 C ATOM 759 O ILE A 50 -4.298 2.852 -1.601 1.00 0.00 O ATOM 760 CB ILE A 50 -6.358 0.783 -1.792 1.00 0.00 C ATOM 761 CG1 ILE A 50 -7.705 0.345 -2.378 1.00 0.00 C ATOM 762 CG2 ILE A 50 -5.864 -0.268 -0.791 1.00 0.00 C ATOM 763 CD1 ILE A 50 -7.508 -0.913 -3.225 1.00 0.00 C ATOM 0 H ILE A 50 -7.158 2.898 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.103 1.998 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.634 0.885 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.416 0.148 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.126 1.145 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.750 -1.227 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.903 0.043 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.587 -0.368 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.466 -1.225 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.811 -0.700 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.106 -1.712 -2.602 1.00 0.00 H new ATOM 775 N GLN A 51 -4.851 2.875 0.532 1.00 0.00 N ATOM 776 CA GLN A 51 -3.501 3.370 0.949 1.00 0.00 C ATOM 777 C GLN A 51 -2.760 2.221 1.648 1.00 0.00 C ATOM 778 O GLN A 51 -3.256 1.625 2.583 1.00 0.00 O ATOM 779 CB GLN A 51 -3.658 4.579 1.890 1.00 0.00 C ATOM 780 CG GLN A 51 -2.383 5.464 1.852 1.00 0.00 C ATOM 781 CD GLN A 51 -2.512 6.614 0.844 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.580 6.882 0.335 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.447 7.325 0.553 1.00 0.00 N ATOM 0 H GLN A 51 -5.509 2.729 1.298 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.927 3.694 0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.526 5.168 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.839 4.234 2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.195 5.872 2.845 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.522 4.848 1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.550 7.098 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.517 8.104 -0.102 1.00 0.00 H new ATOM 792 N ILE A 52 -1.585 1.889 1.173 1.00 0.00 N ATOM 793 CA ILE A 52 -0.806 0.757 1.768 1.00 0.00 C ATOM 794 C ILE A 52 0.075 1.284 2.913 1.00 0.00 C ATOM 795 O ILE A 52 0.442 2.440 2.952 1.00 0.00 O ATOM 796 CB ILE A 52 0.059 0.111 0.635 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.498 -1.269 0.247 1.00 0.00 C ATOM 798 CG2 ILE A 52 1.528 -0.063 1.056 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.836 -1.108 -0.465 1.00 0.00 C ATOM 0 H ILE A 52 -1.127 2.358 0.391 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.473 0.001 2.183 1.00 0.00 H new ATOM 0 HB ILE A 52 0.013 0.792 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.209 -1.787 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.622 -1.884 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.090 -0.515 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.956 0.911 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.581 -0.708 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.224 -2.090 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.543 -0.609 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.699 -0.510 -1.366 1.00 0.00 H new ATOM 811 N LYS A 53 0.420 0.424 3.839 1.00 0.00 N ATOM 812 CA LYS A 53 1.281 0.848 4.984 1.00 0.00 C ATOM 813 C LYS A 53 2.757 0.796 4.573 1.00 0.00 C ATOM 814 O LYS A 53 3.320 -0.256 4.365 1.00 0.00 O ATOM 815 CB LYS A 53 1.026 -0.083 6.193 1.00 0.00 C ATOM 816 CG LYS A 53 0.009 0.554 7.160 1.00 0.00 C ATOM 817 CD LYS A 53 0.724 1.529 8.103 1.00 0.00 C ATOM 818 CE LYS A 53 -0.307 2.235 8.984 1.00 0.00 C ATOM 819 NZ LYS A 53 -1.176 1.219 9.642 1.00 0.00 N ATOM 0 H LYS A 53 0.141 -0.557 3.850 1.00 0.00 H new ATOM 0 HA LYS A 53 1.034 1.872 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.652 -1.046 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.963 -0.275 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.762 1.079 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.492 -0.223 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.441 0.992 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.288 2.262 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.196 2.841 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.913 2.912 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.662 1.651 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.882 0.872 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.592 0.424 9.971 1.00 0.00 H new ATOM 833 N ARG A 54 3.388 1.931 4.470 1.00 0.00 N ATOM 834 CA ARG A 54 4.826 1.956 4.087 1.00 0.00 C ATOM 835 C ARG A 54 5.650 1.211 5.142 1.00 0.00 C ATOM 836 O ARG A 54 6.227 0.180 4.877 1.00 0.00 O ATOM 837 CB ARG A 54 5.297 3.411 4.007 1.00 0.00 C ATOM 838 CG ARG A 54 6.607 3.488 3.216 1.00 0.00 C ATOM 839 CD ARG A 54 7.259 4.858 3.427 1.00 0.00 C ATOM 840 NE ARG A 54 7.959 4.880 4.742 1.00 0.00 N ATOM 841 CZ ARG A 54 8.825 5.821 5.003 1.00 0.00 C ATOM 842 NH1 ARG A 54 9.076 6.741 4.112 1.00 0.00 N ATOM 843 NH2 ARG A 54 9.440 5.843 6.154 1.00 0.00 N ATOM 0 H ARG A 54 2.968 2.846 4.635 1.00 0.00 H new ATOM 0 HA ARG A 54 4.957 1.472 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.535 4.024 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.443 3.812 5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.285 2.698 3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.413 3.327 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.966 5.063 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.502 5.642 3.393 1.00 0.00 H new ATOM 0 HE ARG A 54 7.762 4.160 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.596 6.724 3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.753 7.477 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.244 5.124 6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.117 6.579 6.357 1.00 0.00 H new ATOM 857 N LYS A 55 5.714 1.739 6.332 1.00 0.00 N ATOM 858 CA LYS A 55 6.511 1.086 7.413 1.00 0.00 C ATOM 859 C LYS A 55 6.326 -0.440 7.395 1.00 0.00 C ATOM 860 O LYS A 55 7.259 -1.177 7.156 1.00 0.00 O ATOM 861 CB LYS A 55 6.074 1.648 8.773 1.00 0.00 C ATOM 862 CG LYS A 55 4.557 1.440 8.983 1.00 0.00 C ATOM 863 CD LYS A 55 3.987 2.556 9.870 1.00 0.00 C ATOM 864 CE LYS A 55 4.628 2.490 11.258 1.00 0.00 C ATOM 865 NZ LYS A 55 4.094 3.597 12.102 1.00 0.00 N ATOM 0 H LYS A 55 5.245 2.602 6.606 1.00 0.00 H new ATOM 0 HA LYS A 55 7.567 1.299 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.628 1.155 9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.312 2.710 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.047 1.434 8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.376 0.470 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.179 3.528 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.905 2.451 9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.416 1.528 11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.712 2.571 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.528 3.554 13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.318 4.511 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.062 3.499 12.191 1.00 0.00 H new ATOM 879 N GLN A 56 5.143 -0.923 7.659 1.00 0.00 N ATOM 880 CA GLN A 56 4.931 -2.403 7.674 1.00 0.00 C ATOM 881 C GLN A 56 5.304 -3.016 6.319 1.00 0.00 C ATOM 882 O GLN A 56 6.302 -3.697 6.192 1.00 0.00 O ATOM 883 CB GLN A 56 3.463 -2.708 7.983 1.00 0.00 C ATOM 884 CG GLN A 56 3.277 -4.219 8.164 1.00 0.00 C ATOM 885 CD GLN A 56 1.942 -4.493 8.859 1.00 0.00 C ATOM 886 OE1 GLN A 56 1.197 -3.579 9.154 1.00 0.00 O ATOM 887 NE2 GLN A 56 1.608 -5.724 9.137 1.00 0.00 N ATOM 0 H GLN A 56 4.316 -0.362 7.864 1.00 0.00 H new ATOM 0 HA GLN A 56 5.569 -2.838 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.155 -2.183 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.828 -2.348 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.303 -4.717 7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.097 -4.628 8.755 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.234 -6.491 8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.721 -5.919 9.602 1.00 0.00 H new ATOM 896 N PHE A 57 4.502 -2.794 5.311 1.00 0.00 N ATOM 897 CA PHE A 57 4.796 -3.376 3.965 1.00 0.00 C ATOM 898 C PHE A 57 6.294 -3.198 3.631 1.00 0.00 C ATOM 899 O PHE A 57 6.983 -4.153 3.331 1.00 0.00 O ATOM 900 CB PHE A 57 3.907 -2.665 2.915 1.00 0.00 C ATOM 901 CG PHE A 57 3.527 -3.604 1.775 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.466 -4.495 1.236 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.225 -3.566 1.244 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.111 -5.339 0.182 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.874 -4.412 0.184 1.00 0.00 C ATOM 906 CZ PHE A 57 2.817 -5.298 -0.347 1.00 0.00 C ATOM 0 H PHE A 57 3.652 -2.232 5.361 1.00 0.00 H new ATOM 0 HA PHE A 57 4.576 -4.443 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.003 -2.291 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.436 -1.800 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.468 -4.529 1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.495 -2.884 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.838 -6.026 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.874 -4.380 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.546 -5.950 -1.165 1.00 0.00 H new ATOM 916 N GLU A 58 6.797 -1.989 3.671 1.00 0.00 N ATOM 917 CA GLU A 58 8.244 -1.753 3.341 1.00 0.00 C ATOM 918 C GLU A 58 9.134 -2.850 3.949 1.00 0.00 C ATOM 919 O GLU A 58 10.125 -3.243 3.365 1.00 0.00 O ATOM 920 CB GLU A 58 8.683 -0.380 3.881 1.00 0.00 C ATOM 921 CG GLU A 58 10.136 -0.088 3.485 1.00 0.00 C ATOM 922 CD GLU A 58 10.265 -0.059 1.960 1.00 0.00 C ATOM 923 OE1 GLU A 58 9.269 0.203 1.305 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.358 -0.298 1.473 1.00 0.00 O ATOM 0 H GLU A 58 6.270 -1.151 3.918 1.00 0.00 H new ATOM 0 HA GLU A 58 8.355 -1.777 2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.029 0.398 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.585 -0.361 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.451 0.868 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.795 -0.850 3.900 1.00 0.00 H new ATOM 931 N LYS A 59 8.808 -3.347 5.113 1.00 0.00 N ATOM 932 CA LYS A 59 9.669 -4.401 5.729 1.00 0.00 C ATOM 933 C LYS A 59 9.559 -5.701 4.940 1.00 0.00 C ATOM 934 O LYS A 59 10.532 -6.408 4.763 1.00 0.00 O ATOM 935 CB LYS A 59 9.215 -4.681 7.166 1.00 0.00 C ATOM 936 CG LYS A 59 9.508 -3.477 8.070 1.00 0.00 C ATOM 937 CD LYS A 59 11.027 -3.224 8.155 1.00 0.00 C ATOM 938 CE LYS A 59 11.379 -2.592 9.504 1.00 0.00 C ATOM 939 NZ LYS A 59 12.775 -2.072 9.460 1.00 0.00 N ATOM 0 H LYS A 59 7.992 -3.073 5.660 1.00 0.00 H new ATOM 0 HA LYS A 59 10.698 -4.042 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.148 -4.901 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.727 -5.563 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.007 -2.591 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.107 -3.657 9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.568 -4.163 8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.340 -2.567 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.685 -1.783 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.279 -3.330 10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.015 -1.643 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.431 -2.855 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.855 -1.356 8.710 1.00 0.00 H new ATOM 953 N ILE A 60 8.383 -6.045 4.487 1.00 0.00 N ATOM 954 CA ILE A 60 8.218 -7.325 3.736 1.00 0.00 C ATOM 955 C ILE A 60 8.307 -7.095 2.223 1.00 0.00 C ATOM 956 O ILE A 60 7.637 -7.749 1.458 1.00 0.00 O ATOM 957 CB ILE A 60 6.863 -7.948 4.076 1.00 0.00 C ATOM 958 CG1 ILE A 60 5.770 -6.887 3.963 1.00 0.00 C ATOM 959 CG2 ILE A 60 6.898 -8.495 5.504 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.399 -7.561 4.018 1.00 0.00 C ATOM 0 H ILE A 60 7.531 -5.497 4.604 1.00 0.00 H new ATOM 0 HA ILE A 60 9.023 -7.998 4.030 1.00 0.00 H new ATOM 0 HB ILE A 60 6.652 -8.760 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.865 -6.164 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.879 -6.335 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.933 -8.939 5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.677 -9.253 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.109 -7.683 6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.618 -6.805 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.307 -8.267 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.293 -8.093 4.963 1.00 0.00 H new ATOM 972 N ILE A 61 9.118 -6.175 1.771 1.00 0.00 N ATOM 973 CA ILE A 61 9.211 -5.946 0.293 1.00 0.00 C ATOM 974 C ILE A 61 10.148 -6.983 -0.343 1.00 0.00 C ATOM 975 O ILE A 61 9.932 -7.422 -1.456 1.00 0.00 O ATOM 976 CB ILE A 61 9.743 -4.533 0.015 1.00 0.00 C ATOM 977 CG1 ILE A 61 9.943 -4.321 -1.496 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.087 -4.349 0.716 1.00 0.00 C ATOM 979 CD1 ILE A 61 8.661 -4.663 -2.263 1.00 0.00 C ATOM 0 H ILE A 61 9.712 -5.579 2.348 1.00 0.00 H new ATOM 0 HA ILE A 61 8.217 -6.049 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 61 9.018 -3.810 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.224 -3.286 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.763 -4.945 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.466 -3.346 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.959 -4.484 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.797 -5.085 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.822 -4.507 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.398 -5.706 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.850 -4.020 -1.921 1.00 0.00 H new ATOM 991 N ASP A 62 11.193 -7.374 0.344 1.00 0.00 N ATOM 992 CA ASP A 62 12.149 -8.376 -0.233 1.00 0.00 C ATOM 993 C ASP A 62 11.809 -9.781 0.277 1.00 0.00 C ATOM 994 O ASP A 62 12.426 -10.755 -0.105 1.00 0.00 O ATOM 995 CB ASP A 62 13.574 -8.019 0.194 1.00 0.00 C ATOM 996 CG ASP A 62 13.688 -8.103 1.717 1.00 0.00 C ATOM 997 OD1 ASP A 62 13.511 -9.188 2.245 1.00 0.00 O ATOM 998 OD2 ASP A 62 13.951 -7.081 2.329 1.00 0.00 O ATOM 0 H ASP A 62 11.427 -7.044 1.280 1.00 0.00 H new ATOM 0 HA ASP A 62 12.070 -8.359 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.286 -8.700 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.825 -7.014 -0.145 1.00 0.00 H new ATOM 1003 N THR A 63 10.836 -9.892 1.138 1.00 0.00 N ATOM 1004 CA THR A 63 10.453 -11.231 1.683 1.00 0.00 C ATOM 1005 C THR A 63 9.450 -11.890 0.733 1.00 0.00 C ATOM 1006 O THR A 63 9.166 -13.068 0.830 1.00 0.00 O ATOM 1007 CB THR A 63 9.839 -11.018 3.089 1.00 0.00 C ATOM 1008 OG1 THR A 63 10.757 -11.474 4.070 1.00 0.00 O ATOM 1009 CG2 THR A 63 8.500 -11.754 3.276 1.00 0.00 C ATOM 0 H THR A 63 10.285 -9.110 1.491 1.00 0.00 H new ATOM 0 HA THR A 63 11.319 -11.887 1.767 1.00 0.00 H new ATOM 0 HB THR A 63 9.641 -9.951 3.197 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.375 -11.340 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.119 -11.567 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.780 -11.392 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.651 -12.825 3.139 1.00 0.00 H new ATOM 1017 N LEU A 64 8.897 -11.135 -0.164 1.00 0.00 N ATOM 1018 CA LEU A 64 7.895 -11.713 -1.094 1.00 0.00 C ATOM 1019 C LEU A 64 8.618 -12.567 -2.143 1.00 0.00 C ATOM 1020 O LEU A 64 8.212 -13.671 -2.448 1.00 0.00 O ATOM 1021 CB LEU A 64 7.101 -10.586 -1.790 1.00 0.00 C ATOM 1022 CG LEU A 64 7.002 -9.330 -0.901 1.00 0.00 C ATOM 1023 CD1 LEU A 64 6.317 -8.208 -1.683 1.00 0.00 C ATOM 1024 CD2 LEU A 64 6.193 -9.631 0.377 1.00 0.00 C ATOM 0 H LEU A 64 9.094 -10.143 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 64 7.197 -12.334 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.584 -10.328 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.099 -10.941 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 64 8.008 -9.024 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.246 -7.319 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.900 -7.978 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.317 -8.527 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.135 -8.732 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.187 -9.950 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.685 -10.424 0.941 1.00 0.00 H new TER 1036 LEU A 64