USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 469 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 19 CYS SG : rot 180:sc= -0.0135 USER MOD Set 1.2: A 22 CYS SG : rot 53:sc= 0.107 USER MOD Set 1.3: A 71 TYR OH : rot 165:sc= -0.0353 USER MOD Set 2.1: A 9 THR OG1 : rot -66:sc= 1.07 USER MOD Set 2.2: A 51 THR OG1 : rot 86:sc= 2.02 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 145:sc= 1.18 (180deg=0.148) USER MOD Set 3.2: A 52 TYR OH : rot 18:sc= 1.27 USER MOD Single : A 10 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.5!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl 179:sc= -0.737 (180deg=-0.737) USER MOD Single : A 13 GLN : amide:sc= -0.0247 X(o=-0.025,f=-0.025) USER MOD Single : A 17 MET CE :methyl 176:sc= 0 (180deg=-0.0196) USER MOD Single : A 24 SER OG : rot -67:sc= 0.65 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0.83 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0725 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -8.733 -3.053 -16.312 1.00 0.00 N ATOM 2 CA PRO A 6 -7.747 -4.087 -15.953 1.00 0.00 C ATOM 3 C PRO A 6 -6.653 -3.606 -14.992 1.00 0.00 C ATOM 4 O PRO A 6 -6.102 -2.515 -15.150 1.00 0.00 O ATOM 5 CB PRO A 6 -7.191 -4.621 -17.275 1.00 0.00 C ATOM 6 CG PRO A 6 -8.348 -4.434 -18.266 1.00 0.00 C ATOM 7 CD PRO A 6 -9.408 -3.669 -17.471 1.00 0.00 C ATOM 0 HA PRO A 6 -8.231 -4.879 -15.382 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.305 -4.069 -17.587 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.901 -5.669 -17.192 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.031 -3.875 -19.146 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.729 -5.393 -18.617 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.877 -2.906 -18.092 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.200 -4.342 -17.141 1.00 0.00 H new ATOM 13 N LEU A 7 -6.351 -4.442 -13.998 1.00 0.00 N ATOM 14 CA LEU A 7 -5.410 -4.194 -12.903 1.00 0.00 C ATOM 15 C LEU A 7 -3.922 -4.293 -13.287 1.00 0.00 C ATOM 16 O LEU A 7 -3.543 -5.078 -14.158 1.00 0.00 O ATOM 17 CB LEU A 7 -5.792 -5.105 -11.716 1.00 0.00 C ATOM 18 CG LEU A 7 -5.518 -6.624 -11.844 1.00 0.00 C ATOM 19 CD1 LEU A 7 -6.078 -7.316 -10.593 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.123 -7.314 -13.076 1.00 0.00 C ATOM 0 H LEU A 7 -6.781 -5.364 -13.931 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.507 -3.148 -12.613 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.262 -4.744 -10.835 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.857 -4.973 -11.524 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.438 -6.717 -11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.897 -8.389 -10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.585 -6.919 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.150 -7.132 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.868 -8.374 -13.062 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.207 -7.202 -13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.724 -6.857 -13.982 1.00 0.00 H new ATOM 31 N LYS A 8 -3.074 -3.512 -12.605 1.00 0.00 N ATOM 32 CA LYS A 8 -1.614 -3.444 -12.805 1.00 0.00 C ATOM 33 C LYS A 8 -0.816 -3.702 -11.508 1.00 0.00 C ATOM 34 O LYS A 8 -1.101 -3.089 -10.478 1.00 0.00 O ATOM 35 CB LYS A 8 -1.206 -2.109 -13.486 1.00 0.00 C ATOM 36 CG LYS A 8 -1.978 -0.805 -13.170 1.00 0.00 C ATOM 37 CD LYS A 8 -1.932 -0.254 -11.733 1.00 0.00 C ATOM 38 CE LYS A 8 -0.551 0.173 -11.205 1.00 0.00 C ATOM 39 NZ LYS A 8 -0.114 1.512 -11.680 1.00 0.00 N ATOM 0 H LYS A 8 -3.396 -2.884 -11.869 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.349 -4.257 -13.481 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.158 -1.930 -13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.263 -2.265 -14.563 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.602 -0.028 -13.835 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.024 -0.968 -13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.600 0.606 -11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.333 -1.014 -11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.574 0.174 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.188 -0.569 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.427 1.987 -10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.485 1.403 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.948 2.084 -11.920 1.00 0.00 H new ATOM 49 N THR A 9 0.187 -4.592 -11.559 1.00 0.00 N ATOM 50 CA THR A 9 1.129 -4.891 -10.457 1.00 0.00 C ATOM 51 C THR A 9 2.232 -3.836 -10.437 1.00 0.00 C ATOM 52 O THR A 9 2.679 -3.420 -11.507 1.00 0.00 O ATOM 53 CB THR A 9 1.729 -6.295 -10.629 1.00 0.00 C ATOM 54 OG1 THR A 9 0.690 -7.238 -10.754 1.00 0.00 O ATOM 55 CG2 THR A 9 2.602 -6.714 -9.445 1.00 0.00 C ATOM 0 H THR A 9 0.375 -5.145 -12.395 1.00 0.00 H new ATOM 0 HA THR A 9 0.593 -4.868 -9.508 1.00 0.00 H new ATOM 0 HB THR A 9 2.353 -6.262 -11.522 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.188 -7.285 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.999 -7.714 -9.621 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.427 -6.010 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.003 -6.717 -8.534 1.00 0.00 H new ATOM 63 N GLN A 10 2.674 -3.389 -9.255 1.00 0.00 N ATOM 64 CA GLN A 10 3.633 -2.292 -9.135 1.00 0.00 C ATOM 65 C GLN A 10 4.278 -2.223 -7.743 1.00 0.00 C ATOM 66 O GLN A 10 3.632 -2.558 -6.748 1.00 0.00 O ATOM 67 CB GLN A 10 2.914 -0.963 -9.473 1.00 0.00 C ATOM 68 CG GLN A 10 3.875 0.202 -9.743 1.00 0.00 C ATOM 69 CD GLN A 10 4.926 -0.184 -10.770 1.00 0.00 C ATOM 70 OE1 GLN A 10 6.054 -0.548 -10.445 1.00 0.00 O ATOM 71 NE2 GLN A 10 4.559 -0.223 -12.027 1.00 0.00 N ATOM 0 H GLN A 10 2.376 -3.778 -8.360 1.00 0.00 H new ATOM 0 HA GLN A 10 4.446 -2.470 -9.839 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.283 -1.113 -10.349 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.255 -0.696 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.314 1.066 -10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.362 0.499 -8.814 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.622 0.080 -12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.210 -0.556 -12.738 1.00 0.00 H new ATOM 78 N GLN A 11 5.528 -1.743 -7.676 1.00 0.00 N ATOM 79 CA GLN A 11 6.245 -1.409 -6.441 1.00 0.00 C ATOM 80 C GLN A 11 5.934 0.030 -5.994 1.00 0.00 C ATOM 81 O GLN A 11 5.869 0.960 -6.802 1.00 0.00 O ATOM 82 CB GLN A 11 7.766 -1.546 -6.642 1.00 0.00 C ATOM 83 CG GLN A 11 8.294 -2.988 -6.629 1.00 0.00 C ATOM 84 CD GLN A 11 9.806 -3.015 -6.866 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.611 -3.213 -5.962 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.263 -2.747 -8.069 1.00 0.00 N ATOM 0 H GLN A 11 6.086 -1.571 -8.512 1.00 0.00 H new ATOM 0 HA GLN A 11 5.911 -2.106 -5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.035 -1.085 -7.592 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.273 -0.982 -5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.063 -3.456 -5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.790 -3.572 -7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.612 -2.579 -8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.269 -2.707 -8.235 1.00 0.00 H new ATOM 93 N MET A 12 5.831 0.236 -4.683 1.00 0.00 N ATOM 94 CA MET A 12 5.377 1.455 -4.018 1.00 0.00 C ATOM 95 C MET A 12 6.324 1.796 -2.860 1.00 0.00 C ATOM 96 O MET A 12 6.563 0.972 -1.972 1.00 0.00 O ATOM 97 CB MET A 12 3.934 1.185 -3.547 1.00 0.00 C ATOM 98 CG MET A 12 3.425 2.108 -2.435 1.00 0.00 C ATOM 99 SD MET A 12 1.695 1.837 -1.970 1.00 0.00 S ATOM 100 CE MET A 12 0.887 2.564 -3.416 1.00 0.00 C ATOM 0 H MET A 12 6.079 -0.492 -4.013 1.00 0.00 H new ATOM 0 HA MET A 12 5.386 2.319 -4.682 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.267 1.274 -4.404 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.870 0.154 -3.199 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.051 1.973 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.544 3.143 -2.756 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.194 2.471 -3.314 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.155 3.618 -3.491 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.212 2.042 -4.316 1.00 0.00 H new ATOM 108 N GLN A 13 6.847 3.022 -2.859 1.00 0.00 N ATOM 109 CA GLN A 13 7.609 3.580 -1.744 1.00 0.00 C ATOM 110 C GLN A 13 6.640 4.040 -0.639 1.00 0.00 C ATOM 111 O GLN A 13 5.657 4.718 -0.934 1.00 0.00 O ATOM 112 CB GLN A 13 8.447 4.771 -2.246 1.00 0.00 C ATOM 113 CG GLN A 13 9.602 4.393 -3.190 1.00 0.00 C ATOM 114 CD GLN A 13 10.712 3.636 -2.466 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.868 2.428 -2.614 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.479 4.300 -1.626 1.00 0.00 N ATOM 0 H GLN A 13 6.751 3.665 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 13 8.276 2.821 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.788 5.469 -2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.858 5.297 -1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.217 3.780 -4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.014 5.297 -3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.350 5.304 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.202 3.810 -1.099 1.00 0.00 H new ATOM 123 N VAL A 14 6.931 3.742 0.630 1.00 0.00 N ATOM 124 CA VAL A 14 6.086 4.058 1.801 1.00 0.00 C ATOM 125 C VAL A 14 6.962 4.564 2.948 1.00 0.00 C ATOM 126 O VAL A 14 8.059 4.051 3.157 1.00 0.00 O ATOM 127 CB VAL A 14 5.243 2.823 2.228 1.00 0.00 C ATOM 128 CG1 VAL A 14 4.831 2.757 3.713 1.00 0.00 C ATOM 129 CG2 VAL A 14 3.961 2.750 1.389 1.00 0.00 C ATOM 0 H VAL A 14 7.791 3.257 0.887 1.00 0.00 H new ATOM 0 HA VAL A 14 5.384 4.847 1.530 1.00 0.00 H new ATOM 0 HB VAL A 14 5.914 1.981 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.248 1.853 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.724 2.741 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.229 3.631 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.376 1.882 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.374 3.656 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.221 2.660 0.334 1.00 0.00 H new ATOM 139 N GLY A 15 6.469 5.567 3.685 1.00 0.00 N ATOM 140 CA GLY A 15 7.148 6.184 4.830 1.00 0.00 C ATOM 141 C GLY A 15 6.399 5.952 6.143 1.00 0.00 C ATOM 142 O GLY A 15 5.185 6.132 6.199 1.00 0.00 O ATOM 0 H GLY A 15 5.558 5.984 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.156 5.779 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.248 7.255 4.656 1.00 0.00 H new ATOM 146 N GLY A 16 7.128 5.579 7.201 1.00 0.00 N ATOM 147 CA GLY A 16 6.618 5.378 8.570 1.00 0.00 C ATOM 148 C GLY A 16 6.270 3.928 8.937 1.00 0.00 C ATOM 149 O GLY A 16 6.251 3.591 10.121 1.00 0.00 O ATOM 0 H GLY A 16 8.130 5.401 7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.364 5.744 9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.727 5.992 8.701 1.00 0.00 H new ATOM 153 N MET A 17 6.056 3.049 7.950 1.00 0.00 N ATOM 154 CA MET A 17 5.787 1.614 8.161 1.00 0.00 C ATOM 155 C MET A 17 7.046 0.833 8.591 1.00 0.00 C ATOM 156 O MET A 17 6.935 -0.250 9.167 1.00 0.00 O ATOM 157 CB MET A 17 5.165 1.043 6.875 1.00 0.00 C ATOM 158 CG MET A 17 4.515 -0.332 7.077 1.00 0.00 C ATOM 159 SD MET A 17 3.610 -0.958 5.632 1.00 0.00 S ATOM 160 CE MET A 17 4.990 -1.327 4.518 1.00 0.00 C ATOM 0 H MET A 17 6.064 3.315 6.965 1.00 0.00 H new ATOM 0 HA MET A 17 5.086 1.501 8.988 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.416 1.741 6.501 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.937 0.964 6.110 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.290 -1.050 7.343 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.829 -0.275 7.922 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.609 -1.789 3.607 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.511 -0.403 4.266 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.681 -2.011 5.010 1.00 0.00 H new ATOM 168 N ARG A 18 8.232 1.400 8.341 1.00 0.00 N ATOM 169 CA ARG A 18 9.551 0.952 8.805 1.00 0.00 C ATOM 170 C ARG A 18 9.666 1.128 10.333 1.00 0.00 C ATOM 171 O ARG A 18 10.025 2.213 10.800 1.00 0.00 O ATOM 172 CB ARG A 18 10.612 1.751 8.021 1.00 0.00 C ATOM 173 CG ARG A 18 12.053 1.238 8.162 1.00 0.00 C ATOM 174 CD ARG A 18 12.973 2.112 7.295 1.00 0.00 C ATOM 175 NE ARG A 18 14.341 1.572 7.196 1.00 0.00 N ATOM 176 CZ ARG A 18 15.162 1.697 6.157 1.00 0.00 C ATOM 177 NH1 ARG A 18 14.836 2.401 5.094 1.00 0.00 N ATOM 178 NH2 ARG A 18 16.338 1.109 6.170 1.00 0.00 N ATOM 0 H ARG A 18 8.301 2.242 7.770 1.00 0.00 H new ATOM 0 HA ARG A 18 9.705 -0.110 8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.342 1.743 6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.579 2.789 8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.368 1.277 9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.116 0.196 7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.548 2.200 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.013 3.118 7.714 1.00 0.00 H new ATOM 0 HE ARG A 18 14.691 1.053 8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.931 2.870 5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.488 2.478 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.623 0.555 6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.966 1.206 5.372 1.00 0.00 H new ATOM 189 N CYS A 19 9.315 0.079 11.085 1.00 0.00 N ATOM 190 CA CYS A 19 9.132 0.012 12.550 1.00 0.00 C ATOM 191 C CYS A 19 8.623 -1.396 12.942 1.00 0.00 C ATOM 192 O CYS A 19 7.927 -2.031 12.148 1.00 0.00 O ATOM 193 CB CYS A 19 8.159 1.122 12.999 1.00 0.00 C ATOM 194 SG CYS A 19 8.062 1.219 14.806 1.00 0.00 S ATOM 0 H CYS A 19 9.135 -0.827 10.652 1.00 0.00 H new ATOM 0 HA CYS A 19 10.082 0.177 13.058 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.487 2.081 12.598 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.168 0.928 12.589 1.00 0.00 H new ATOM 0 HG CYS A 19 7.237 2.164 15.146 1.00 0.00 H new ATOM 199 N ALA A 20 8.945 -1.903 14.139 1.00 0.00 N ATOM 200 CA ALA A 20 8.668 -3.292 14.528 1.00 0.00 C ATOM 201 C ALA A 20 7.184 -3.693 14.401 1.00 0.00 C ATOM 202 O ALA A 20 6.301 -3.076 15.004 1.00 0.00 O ATOM 203 CB ALA A 20 9.194 -3.530 15.946 1.00 0.00 C ATOM 0 H ALA A 20 9.407 -1.359 14.868 1.00 0.00 H new ATOM 0 HA ALA A 20 9.192 -3.938 13.823 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.992 -4.560 16.241 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.269 -3.350 15.970 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.697 -2.850 16.637 1.00 0.00 H new ATOM 209 N ALA A 21 6.935 -4.736 13.599 1.00 0.00 N ATOM 210 CA ALA A 21 5.643 -5.367 13.287 1.00 0.00 C ATOM 211 C ALA A 21 4.702 -4.508 12.415 1.00 0.00 C ATOM 212 O ALA A 21 3.646 -4.982 11.999 1.00 0.00 O ATOM 213 CB ALA A 21 4.953 -5.836 14.577 1.00 0.00 C ATOM 0 H ALA A 21 7.698 -5.202 13.108 1.00 0.00 H new ATOM 0 HA ALA A 21 5.873 -6.233 12.667 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.998 -6.301 14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.588 -6.560 15.087 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.782 -4.980 15.230 1.00 0.00 H new ATOM 219 N CYS A 22 5.045 -3.250 12.126 1.00 0.00 N ATOM 220 CA CYS A 22 4.087 -2.250 11.648 1.00 0.00 C ATOM 221 C CYS A 22 3.495 -2.528 10.256 1.00 0.00 C ATOM 222 O CYS A 22 2.384 -2.079 9.967 1.00 0.00 O ATOM 223 CB CYS A 22 4.770 -0.881 11.750 1.00 0.00 C ATOM 224 SG CYS A 22 4.847 -0.409 13.504 1.00 0.00 S ATOM 0 H CYS A 22 5.997 -2.896 12.217 1.00 0.00 H new ATOM 0 HA CYS A 22 3.202 -2.287 12.283 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.773 -0.924 11.324 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.214 -0.136 11.181 1.00 0.00 H new ATOM 0 HG CYS A 22 5.392 -1.370 14.188 1.00 0.00 H new ATOM 229 N ALA A 23 4.170 -3.310 9.413 1.00 0.00 N ATOM 230 CA ALA A 23 3.624 -3.777 8.146 1.00 0.00 C ATOM 231 C ALA A 23 2.410 -4.715 8.305 1.00 0.00 C ATOM 232 O ALA A 23 1.547 -4.735 7.428 1.00 0.00 O ATOM 233 CB ALA A 23 4.763 -4.433 7.365 1.00 0.00 C ATOM 0 H ALA A 23 5.119 -3.638 9.595 1.00 0.00 H new ATOM 0 HA ALA A 23 3.228 -2.924 7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.387 -4.795 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.553 -3.703 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.162 -5.270 7.938 1.00 0.00 H new ATOM 239 N SER A 24 2.260 -5.435 9.425 1.00 0.00 N ATOM 240 CA SER A 24 1.106 -6.334 9.622 1.00 0.00 C ATOM 241 C SER A 24 -0.213 -5.569 9.832 1.00 0.00 C ATOM 242 O SER A 24 -1.293 -6.122 9.639 1.00 0.00 O ATOM 243 CB SER A 24 1.361 -7.326 10.766 1.00 0.00 C ATOM 244 OG SER A 24 1.307 -6.739 12.057 1.00 0.00 O ATOM 0 H SER A 24 2.916 -5.416 10.206 1.00 0.00 H new ATOM 0 HA SER A 24 0.994 -6.902 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.624 -8.127 10.710 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.340 -7.783 10.626 1.00 0.00 H new ATOM 0 HG SER A 24 2.056 -6.117 12.165 1.00 0.00 H new ATOM 249 N SER A 25 -0.130 -4.280 10.167 1.00 0.00 N ATOM 250 CA SER A 25 -1.253 -3.341 10.307 1.00 0.00 C ATOM 251 C SER A 25 -1.745 -2.816 8.947 1.00 0.00 C ATOM 252 O SER A 25 -2.855 -2.289 8.842 1.00 0.00 O ATOM 253 CB SER A 25 -0.852 -2.145 11.198 1.00 0.00 C ATOM 254 OG SER A 25 -0.008 -2.525 12.280 1.00 0.00 O ATOM 0 H SER A 25 0.768 -3.836 10.359 1.00 0.00 H new ATOM 0 HA SER A 25 -2.068 -3.894 10.773 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.342 -1.399 10.589 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.752 -1.673 11.593 1.00 0.00 H new ATOM 0 HG SER A 25 0.218 -1.734 12.812 1.00 0.00 H new ATOM 259 N ILE A 26 -0.947 -3.002 7.889 1.00 0.00 N ATOM 260 CA ILE A 26 -1.359 -2.842 6.487 1.00 0.00 C ATOM 261 C ILE A 26 -1.765 -4.201 5.900 1.00 0.00 C ATOM 262 O ILE A 26 -2.826 -4.296 5.283 1.00 0.00 O ATOM 263 CB ILE A 26 -0.220 -2.150 5.684 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.287 -0.606 5.754 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.214 -2.514 4.186 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.203 0.004 7.154 1.00 0.00 C ATOM 0 H ILE A 26 0.031 -3.276 7.986 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.236 -2.198 6.422 1.00 0.00 H new ATOM 0 HB ILE A 26 0.685 -2.522 6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.525 -0.199 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.219 -0.281 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.606 -1.996 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.084 -3.590 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.160 -2.214 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.260 1.090 7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.031 -0.363 7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.741 -0.280 7.618 1.00 0.00 H new ATOM 277 N GLU A 27 -0.932 -5.236 6.058 1.00 0.00 N ATOM 278 CA GLU A 27 -1.066 -6.456 5.254 1.00 0.00 C ATOM 279 C GLU A 27 -2.253 -7.335 5.678 1.00 0.00 C ATOM 280 O GLU A 27 -2.824 -8.005 4.810 1.00 0.00 O ATOM 281 CB GLU A 27 0.253 -7.263 5.206 1.00 0.00 C ATOM 282 CG GLU A 27 0.363 -7.999 3.856 1.00 0.00 C ATOM 283 CD GLU A 27 1.600 -8.886 3.696 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.839 -9.773 4.553 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.266 -8.784 2.634 1.00 0.00 O ATOM 0 H GLU A 27 -0.164 -5.254 6.729 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.285 -6.121 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.104 -6.595 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.282 -7.981 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.526 -8.616 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.360 -7.259 3.056 1.00 0.00 H new ATOM 290 N ARG A 28 -2.683 -7.313 6.953 1.00 0.00 N ATOM 291 CA ARG A 28 -3.871 -8.095 7.353 1.00 0.00 C ATOM 292 C ARG A 28 -5.141 -7.603 6.627 1.00 0.00 C ATOM 293 O ARG A 28 -5.931 -8.416 6.146 1.00 0.00 O ATOM 294 CB ARG A 28 -4.033 -8.117 8.884 1.00 0.00 C ATOM 295 CG ARG A 28 -5.220 -9.000 9.314 1.00 0.00 C ATOM 296 CD ARG A 28 -5.384 -9.066 10.837 1.00 0.00 C ATOM 297 NE ARG A 28 -6.581 -9.847 11.197 1.00 0.00 N ATOM 298 CZ ARG A 28 -7.158 -9.921 12.390 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.694 -9.319 13.461 1.00 0.00 N ATOM 300 NH2 ARG A 28 -8.255 -10.622 12.534 1.00 0.00 N ATOM 0 H ARG A 28 -2.243 -6.781 7.704 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.717 -9.128 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.117 -8.489 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.183 -7.101 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.137 -8.612 8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.079 -10.008 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.499 -9.520 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.465 -8.058 11.243 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.013 -10.389 10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.845 -8.757 13.402 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.183 -9.414 14.351 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.660 -11.106 11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.704 -10.684 13.448 1.00 0.00 H new ATOM 311 N ALA A 29 -5.329 -6.290 6.485 1.00 0.00 N ATOM 312 CA ALA A 29 -6.454 -5.678 5.774 1.00 0.00 C ATOM 313 C ALA A 29 -6.340 -5.810 4.247 1.00 0.00 C ATOM 314 O ALA A 29 -7.356 -5.865 3.553 1.00 0.00 O ATOM 315 CB ALA A 29 -6.514 -4.198 6.171 1.00 0.00 C ATOM 0 H ALA A 29 -4.684 -5.602 6.873 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.367 -6.202 6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.345 -3.716 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.659 -4.116 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.581 -3.708 5.892 1.00 0.00 H new ATOM 321 N LEU A 30 -5.117 -5.859 3.706 1.00 0.00 N ATOM 322 CA LEU A 30 -4.831 -5.761 2.268 1.00 0.00 C ATOM 323 C LEU A 30 -5.414 -6.906 1.416 1.00 0.00 C ATOM 324 O LEU A 30 -5.629 -6.722 0.218 1.00 0.00 O ATOM 325 CB LEU A 30 -3.303 -5.621 2.132 1.00 0.00 C ATOM 326 CG LEU A 30 -2.752 -5.239 0.746 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.404 -3.978 0.159 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.239 -5.000 0.893 1.00 0.00 C ATOM 0 H LEU A 30 -4.275 -5.971 4.271 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.340 -4.889 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.968 -4.870 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.849 -6.567 2.427 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.977 -6.055 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.970 -3.765 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.477 -4.139 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.228 -3.134 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.818 -4.727 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.066 -4.193 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.760 -5.911 1.253 1.00 0.00 H new ATOM 339 N GLU A 31 -5.750 -8.050 2.020 1.00 0.00 N ATOM 340 CA GLU A 31 -6.477 -9.153 1.369 1.00 0.00 C ATOM 341 C GLU A 31 -8.003 -8.938 1.303 1.00 0.00 C ATOM 342 O GLU A 31 -8.702 -9.723 0.656 1.00 0.00 O ATOM 343 CB GLU A 31 -6.134 -10.496 2.039 1.00 0.00 C ATOM 344 CG GLU A 31 -6.288 -10.520 3.568 1.00 0.00 C ATOM 345 CD GLU A 31 -6.104 -11.920 4.159 1.00 0.00 C ATOM 346 OE1 GLU A 31 -5.253 -12.700 3.669 1.00 0.00 O ATOM 347 OE2 GLU A 31 -6.825 -12.269 5.125 1.00 0.00 O ATOM 0 H GLU A 31 -5.521 -8.243 2.995 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.138 -9.173 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.772 -11.270 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.106 -10.757 1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.558 -9.844 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.276 -10.144 3.835 1.00 0.00 H new ATOM 352 N ARG A 32 -8.525 -7.887 1.951 1.00 0.00 N ATOM 353 CA ARG A 32 -9.952 -7.540 2.010 1.00 0.00 C ATOM 354 C ARG A 32 -10.290 -6.140 1.450 1.00 0.00 C ATOM 355 O ARG A 32 -11.471 -5.839 1.254 1.00 0.00 O ATOM 356 CB ARG A 32 -10.439 -7.658 3.468 1.00 0.00 C ATOM 357 CG ARG A 32 -10.590 -9.119 3.919 1.00 0.00 C ATOM 358 CD ARG A 32 -10.999 -9.177 5.393 1.00 0.00 C ATOM 359 NE ARG A 32 -11.279 -10.555 5.827 1.00 0.00 N ATOM 360 CZ ARG A 32 -12.342 -11.004 6.484 1.00 0.00 C ATOM 361 NH1 ARG A 32 -13.380 -10.243 6.757 1.00 0.00 N ATOM 362 NH2 ARG A 32 -12.372 -12.255 6.879 1.00 0.00 N ATOM 0 H ARG A 32 -7.942 -7.230 2.469 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.472 -8.247 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.735 -7.149 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.397 -7.148 3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.339 -9.621 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.650 -9.651 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.203 -8.756 6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.883 -8.559 5.550 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.570 -11.250 5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.389 -9.267 6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.176 -10.629 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.584 -12.871 6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.183 -12.611 7.384 1.00 0.00 H new ATOM 373 N LEU A 33 -9.301 -5.275 1.179 1.00 0.00 N ATOM 374 CA LEU A 33 -9.519 -3.947 0.573 1.00 0.00 C ATOM 375 C LEU A 33 -10.125 -4.030 -0.846 1.00 0.00 C ATOM 376 O LEU A 33 -10.041 -5.060 -1.516 1.00 0.00 O ATOM 377 CB LEU A 33 -8.208 -3.129 0.570 1.00 0.00 C ATOM 378 CG LEU A 33 -7.599 -2.767 1.940 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.392 -1.838 1.734 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.594 -2.103 2.900 1.00 0.00 C ATOM 0 H LEU A 33 -8.320 -5.476 1.374 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.253 -3.432 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.462 -3.689 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.389 -2.202 0.026 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.297 -3.706 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.961 -1.582 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.643 -2.344 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.715 -0.928 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.095 -1.877 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.967 -1.180 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.428 -2.780 3.084 1.00 0.00 H new ATOM 391 N LYS A 34 -10.745 -2.932 -1.295 1.00 0.00 N ATOM 392 CA LYS A 34 -11.481 -2.830 -2.569 1.00 0.00 C ATOM 393 C LYS A 34 -10.588 -2.571 -3.803 1.00 0.00 C ATOM 394 O LYS A 34 -9.682 -1.734 -3.765 1.00 0.00 O ATOM 395 CB LYS A 34 -12.582 -1.755 -2.433 1.00 0.00 C ATOM 396 CG LYS A 34 -12.058 -0.340 -2.108 1.00 0.00 C ATOM 397 CD LYS A 34 -13.141 0.748 -2.112 1.00 0.00 C ATOM 398 CE LYS A 34 -13.734 0.938 -3.513 1.00 0.00 C ATOM 399 NZ LYS A 34 -14.440 2.232 -3.652 1.00 0.00 N ATOM 0 H LYS A 34 -10.751 -2.059 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.929 -3.806 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.149 -1.714 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.276 -2.061 -1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.580 -0.358 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.289 -0.074 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.933 0.479 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.715 1.689 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.937 0.880 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.427 0.124 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.824 2.316 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.218 2.279 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.774 3.011 -3.475 1.00 0.00 H new ATOM 409 N GLY A 35 -10.874 -3.251 -4.919 1.00 0.00 N ATOM 410 CA GLY A 35 -10.209 -3.081 -6.222 1.00 0.00 C ATOM 411 C GLY A 35 -8.736 -3.505 -6.276 1.00 0.00 C ATOM 412 O GLY A 35 -8.022 -3.050 -7.168 1.00 0.00 O ATOM 0 H GLY A 35 -11.603 -3.964 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.760 -3.653 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.277 -2.032 -6.510 1.00 0.00 H new ATOM 416 N VAL A 36 -8.285 -4.371 -5.363 1.00 0.00 N ATOM 417 CA VAL A 36 -6.875 -4.759 -5.158 1.00 0.00 C ATOM 418 C VAL A 36 -6.745 -6.269 -4.902 1.00 0.00 C ATOM 419 O VAL A 36 -7.281 -6.806 -3.933 1.00 0.00 O ATOM 420 CB VAL A 36 -6.205 -3.905 -4.051 1.00 0.00 C ATOM 421 CG1 VAL A 36 -6.921 -3.936 -2.692 1.00 0.00 C ATOM 422 CG2 VAL A 36 -4.731 -4.278 -3.825 1.00 0.00 C ATOM 0 H VAL A 36 -8.915 -4.844 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.331 -4.549 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.281 -2.892 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.380 -3.310 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.937 -3.559 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.954 -4.961 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.313 -3.649 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.662 -5.324 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.172 -4.126 -4.748 1.00 0.00 H new ATOM 432 N ALA A 37 -6.032 -6.959 -5.798 1.00 0.00 N ATOM 433 CA ALA A 37 -6.092 -8.417 -5.949 1.00 0.00 C ATOM 434 C ALA A 37 -4.861 -9.188 -5.445 1.00 0.00 C ATOM 435 O ALA A 37 -4.995 -10.364 -5.104 1.00 0.00 O ATOM 436 CB ALA A 37 -6.295 -8.702 -7.440 1.00 0.00 C ATOM 0 H ALA A 37 -5.386 -6.513 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.911 -8.771 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.346 -9.779 -7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.224 -8.241 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.460 -8.289 -8.006 1.00 0.00 H new ATOM 442 N GLU A 38 -3.671 -8.572 -5.431 1.00 0.00 N ATOM 443 CA GLU A 38 -2.412 -9.302 -5.220 1.00 0.00 C ATOM 444 C GLU A 38 -1.253 -8.379 -4.800 1.00 0.00 C ATOM 445 O GLU A 38 -0.724 -7.617 -5.612 1.00 0.00 O ATOM 446 CB GLU A 38 -2.074 -10.128 -6.484 1.00 0.00 C ATOM 447 CG GLU A 38 -1.435 -11.483 -6.168 1.00 0.00 C ATOM 448 CD GLU A 38 -0.076 -11.359 -5.494 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.911 -11.000 -6.181 1.00 0.00 O ATOM 450 OE2 GLU A 38 0.018 -11.677 -4.287 1.00 0.00 O ATOM 0 H GLU A 38 -3.553 -7.568 -5.564 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.552 -9.986 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.986 -10.289 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.397 -9.553 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.104 -12.052 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.325 -12.051 -7.092 1.00 0.00 H new ATOM 455 N ALA A 39 -0.834 -8.446 -3.535 1.00 0.00 N ATOM 456 CA ALA A 39 0.101 -7.496 -2.924 1.00 0.00 C ATOM 457 C ALA A 39 1.023 -8.132 -1.863 1.00 0.00 C ATOM 458 O ALA A 39 0.765 -9.231 -1.367 1.00 0.00 O ATOM 459 CB ALA A 39 -0.748 -6.374 -2.319 1.00 0.00 C ATOM 0 H ALA A 39 -1.141 -9.177 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 39 0.782 -7.121 -3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.096 -5.637 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.331 -5.894 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.422 -6.791 -1.571 1.00 0.00 H new ATOM 465 N SER A 40 2.095 -7.439 -1.475 1.00 0.00 N ATOM 466 CA SER A 40 3.086 -7.931 -0.506 1.00 0.00 C ATOM 467 C SER A 40 3.902 -6.804 0.153 1.00 0.00 C ATOM 468 O SER A 40 4.503 -5.986 -0.549 1.00 0.00 O ATOM 469 CB SER A 40 4.039 -8.922 -1.191 1.00 0.00 C ATOM 470 OG SER A 40 4.790 -9.634 -0.224 1.00 0.00 O ATOM 0 H SER A 40 2.306 -6.506 -1.828 1.00 0.00 H new ATOM 0 HA SER A 40 2.527 -8.426 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.469 -9.620 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.712 -8.386 -1.860 1.00 0.00 H new ATOM 0 HG SER A 40 5.391 -10.263 -0.675 1.00 0.00 H new ATOM 475 N VAL A 41 3.973 -6.775 1.490 1.00 0.00 N ATOM 476 CA VAL A 41 4.832 -5.822 2.239 1.00 0.00 C ATOM 477 C VAL A 41 6.303 -6.268 2.263 1.00 0.00 C ATOM 478 O VAL A 41 6.596 -7.453 2.088 1.00 0.00 O ATOM 479 CB VAL A 41 4.337 -5.579 3.687 1.00 0.00 C ATOM 480 CG1 VAL A 41 2.906 -5.016 3.675 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.445 -6.836 4.571 1.00 0.00 C ATOM 0 H VAL A 41 3.442 -7.406 2.090 1.00 0.00 H new ATOM 0 HA VAL A 41 4.760 -4.879 1.696 1.00 0.00 H new ATOM 0 HB VAL A 41 4.998 -4.838 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.572 -4.850 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.891 -4.071 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.240 -5.727 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.085 -6.608 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.841 -7.636 4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.486 -7.156 4.624 1.00 0.00 H new ATOM 491 N THR A 42 7.229 -5.329 2.510 1.00 0.00 N ATOM 492 CA THR A 42 8.666 -5.604 2.689 1.00 0.00 C ATOM 493 C THR A 42 9.147 -4.942 3.975 1.00 0.00 C ATOM 494 O THR A 42 9.275 -3.720 4.030 1.00 0.00 O ATOM 495 CB THR A 42 9.477 -5.072 1.505 1.00 0.00 C ATOM 496 OG1 THR A 42 8.879 -5.457 0.292 1.00 0.00 O ATOM 497 CG2 THR A 42 10.916 -5.590 1.534 1.00 0.00 C ATOM 0 H THR A 42 6.998 -4.339 2.593 1.00 0.00 H new ATOM 0 HA THR A 42 8.810 -6.683 2.746 1.00 0.00 H new ATOM 0 HB THR A 42 9.493 -3.985 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.484 -5.250 -0.451 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.463 -5.193 0.679 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.400 -5.268 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.912 -6.679 1.488 1.00 0.00 H new ATOM 505 N VAL A 43 9.415 -5.740 5.004 1.00 0.00 N ATOM 506 CA VAL A 43 9.656 -5.254 6.376 1.00 0.00 C ATOM 507 C VAL A 43 11.004 -4.531 6.535 1.00 0.00 C ATOM 508 O VAL A 43 11.050 -3.514 7.229 1.00 0.00 O ATOM 509 CB VAL A 43 9.510 -6.414 7.393 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.964 -6.046 8.816 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.037 -6.858 7.456 1.00 0.00 C ATOM 0 H VAL A 43 9.474 -6.755 4.917 1.00 0.00 H new ATOM 0 HA VAL A 43 8.893 -4.505 6.586 1.00 0.00 H new ATOM 0 HB VAL A 43 10.159 -7.215 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.833 -6.906 9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.015 -5.758 8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.366 -5.213 9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.933 -7.674 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.417 -6.019 7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.716 -7.196 6.471 1.00 0.00 H new ATOM 521 N ALA A 44 12.084 -5.003 5.897 1.00 0.00 N ATOM 522 CA ALA A 44 13.443 -4.485 6.116 1.00 0.00 C ATOM 523 C ALA A 44 13.594 -2.969 5.887 1.00 0.00 C ATOM 524 O ALA A 44 14.317 -2.317 6.649 1.00 0.00 O ATOM 525 CB ALA A 44 14.421 -5.268 5.233 1.00 0.00 C ATOM 0 H ALA A 44 12.040 -5.757 5.212 1.00 0.00 H new ATOM 0 HA ALA A 44 13.670 -4.631 7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.432 -4.892 5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.383 -6.325 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.144 -5.145 4.186 1.00 0.00 H new ATOM 531 N THR A 45 12.905 -2.419 4.876 1.00 0.00 N ATOM 532 CA THR A 45 12.872 -0.981 4.549 1.00 0.00 C ATOM 533 C THR A 45 11.473 -0.366 4.616 1.00 0.00 C ATOM 534 O THR A 45 11.351 0.848 4.478 1.00 0.00 O ATOM 535 CB THR A 45 13.521 -0.711 3.184 1.00 0.00 C ATOM 536 OG1 THR A 45 12.906 -1.473 2.174 1.00 0.00 O ATOM 537 CG2 THR A 45 15.007 -1.071 3.196 1.00 0.00 C ATOM 0 H THR A 45 12.336 -2.979 4.241 1.00 0.00 H new ATOM 0 HA THR A 45 13.456 -0.487 5.325 1.00 0.00 H new ATOM 0 HB THR A 45 13.396 0.353 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.335 -1.283 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.438 -0.869 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.520 -0.473 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.123 -2.129 3.432 1.00 0.00 H new ATOM 545 N GLY A 46 10.420 -1.154 4.869 1.00 0.00 N ATOM 546 CA GLY A 46 9.053 -0.666 5.087 1.00 0.00 C ATOM 547 C GLY A 46 8.381 -0.162 3.808 1.00 0.00 C ATOM 548 O GLY A 46 7.761 0.901 3.840 1.00 0.00 O ATOM 0 H GLY A 46 10.497 -2.169 4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.451 -1.469 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.075 0.140 5.820 1.00 0.00 H new ATOM 552 N ARG A 47 8.528 -0.908 2.706 1.00 0.00 N ATOM 553 CA ARG A 47 7.970 -0.612 1.371 1.00 0.00 C ATOM 554 C ARG A 47 6.915 -1.653 0.938 1.00 0.00 C ATOM 555 O ARG A 47 6.613 -2.581 1.694 1.00 0.00 O ATOM 556 CB ARG A 47 9.120 -0.450 0.355 1.00 0.00 C ATOM 557 CG ARG A 47 9.934 -1.733 0.125 1.00 0.00 C ATOM 558 CD ARG A 47 11.076 -1.497 -0.871 1.00 0.00 C ATOM 559 NE ARG A 47 11.883 -2.710 -1.099 1.00 0.00 N ATOM 560 CZ ARG A 47 11.540 -3.782 -1.807 1.00 0.00 C ATOM 561 NH1 ARG A 47 10.382 -3.898 -2.417 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.385 -4.783 -1.905 1.00 0.00 N ATOM 0 H ARG A 47 9.063 -1.776 2.716 1.00 0.00 H new ATOM 0 HA ARG A 47 7.430 0.334 1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.706 -0.119 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.790 0.336 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.342 -2.082 1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.279 -2.520 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.662 -1.156 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.720 -0.700 -0.499 1.00 0.00 H new ATOM 0 HE ARG A 47 12.806 -2.729 -0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.698 -3.144 -2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.168 -4.742 -2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.292 -4.732 -1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.134 -5.611 -2.445 1.00 0.00 H new ATOM 573 N LEU A 48 6.327 -1.497 -0.256 1.00 0.00 N ATOM 574 CA LEU A 48 5.160 -2.269 -0.716 1.00 0.00 C ATOM 575 C LEU A 48 5.238 -2.661 -2.203 1.00 0.00 C ATOM 576 O LEU A 48 5.897 -1.994 -3.002 1.00 0.00 O ATOM 577 CB LEU A 48 3.888 -1.425 -0.444 1.00 0.00 C ATOM 578 CG LEU A 48 2.914 -2.044 0.576 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.866 -0.995 0.964 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.194 -3.278 0.013 1.00 0.00 C ATOM 0 H LEU A 48 6.654 -0.818 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 48 5.134 -3.209 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.191 -0.441 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.360 -1.274 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 48 3.495 -2.360 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.172 -1.424 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.362 -0.131 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.318 -0.682 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.518 -3.680 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.623 -2.994 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.929 -4.036 -0.257 1.00 0.00 H new ATOM 591 N THR A 49 4.491 -3.706 -2.576 1.00 0.00 N ATOM 592 CA THR A 49 4.168 -4.132 -3.950 1.00 0.00 C ATOM 593 C THR A 49 2.684 -4.448 -3.967 1.00 0.00 C ATOM 594 O THR A 49 2.197 -5.064 -3.024 1.00 0.00 O ATOM 595 CB THR A 49 4.981 -5.366 -4.360 1.00 0.00 C ATOM 596 OG1 THR A 49 6.351 -5.069 -4.233 1.00 0.00 O ATOM 597 CG2 THR A 49 4.738 -5.757 -5.820 1.00 0.00 C ATOM 0 H THR A 49 4.065 -4.321 -1.882 1.00 0.00 H new ATOM 0 HA THR A 49 4.417 -3.344 -4.661 1.00 0.00 H new ATOM 0 HB THR A 49 4.673 -6.189 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.881 -5.852 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.334 -6.636 -6.065 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.682 -5.983 -5.965 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.025 -4.931 -6.471 1.00 0.00 H new ATOM 605 N VAL A 50 1.966 -4.013 -4.999 1.00 0.00 N ATOM 606 CA VAL A 50 0.492 -4.004 -5.019 1.00 0.00 C ATOM 607 C VAL A 50 -0.067 -4.125 -6.441 1.00 0.00 C ATOM 608 O VAL A 50 0.491 -3.542 -7.370 1.00 0.00 O ATOM 609 CB VAL A 50 -0.040 -2.747 -4.278 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.420 -1.417 -4.907 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.569 -2.763 -4.148 1.00 0.00 C ATOM 0 H VAL A 50 2.387 -3.652 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 50 0.136 -4.886 -4.487 1.00 0.00 H new ATOM 0 HB VAL A 50 0.402 -2.801 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.010 -0.584 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.509 -1.365 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.067 -1.360 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.899 -1.866 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.018 -2.789 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.877 -3.645 -3.587 1.00 0.00 H new ATOM 621 N THR A 51 -1.164 -4.883 -6.600 1.00 0.00 N ATOM 622 CA THR A 51 -1.888 -5.092 -7.867 1.00 0.00 C ATOM 623 C THR A 51 -3.321 -4.600 -7.732 1.00 0.00 C ATOM 624 O THR A 51 -4.116 -5.240 -7.050 1.00 0.00 O ATOM 625 CB THR A 51 -1.883 -6.572 -8.274 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.560 -7.039 -8.267 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.441 -6.784 -9.677 1.00 0.00 C ATOM 0 H THR A 51 -1.588 -5.387 -5.821 1.00 0.00 H new ATOM 0 HA THR A 51 -1.378 -4.524 -8.645 1.00 0.00 H new ATOM 0 HB THR A 51 -2.510 -7.110 -7.563 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.323 -7.337 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.418 -7.846 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.469 -6.425 -9.718 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.836 -6.233 -10.396 1.00 0.00 H new ATOM 635 N TYR A 52 -3.646 -3.487 -8.395 1.00 0.00 N ATOM 636 CA TYR A 52 -4.929 -2.767 -8.275 1.00 0.00 C ATOM 637 C TYR A 52 -5.400 -2.168 -9.620 1.00 0.00 C ATOM 638 O TYR A 52 -4.599 -2.064 -10.552 1.00 0.00 O ATOM 639 CB TYR A 52 -4.793 -1.677 -7.196 1.00 0.00 C ATOM 640 CG TYR A 52 -3.901 -0.501 -7.570 1.00 0.00 C ATOM 641 CD1 TYR A 52 -2.499 -0.589 -7.445 1.00 0.00 C ATOM 642 CD2 TYR A 52 -4.478 0.691 -8.047 1.00 0.00 C ATOM 643 CE1 TYR A 52 -1.676 0.501 -7.799 1.00 0.00 C ATOM 644 CE2 TYR A 52 -3.663 1.773 -8.423 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.258 1.683 -8.312 1.00 0.00 C ATOM 646 OH TYR A 52 -1.497 2.734 -8.726 1.00 0.00 O ATOM 0 H TYR A 52 -3.006 -3.043 -9.053 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.697 -3.482 -7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.787 -1.297 -6.959 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.401 -2.135 -6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.051 -1.499 -7.075 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.552 0.775 -8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.605 0.433 -7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.114 2.679 -8.799 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.578 2.431 -8.881 1.00 0.00 H new ATOM 655 N ASP A 53 -6.679 -1.784 -9.760 1.00 0.00 N ATOM 656 CA ASP A 53 -7.207 -1.206 -11.000 1.00 0.00 C ATOM 657 C ASP A 53 -7.118 0.335 -11.022 1.00 0.00 C ATOM 658 O ASP A 53 -7.281 0.973 -9.979 1.00 0.00 O ATOM 659 CB ASP A 53 -8.616 -1.739 -11.312 1.00 0.00 C ATOM 660 CG ASP A 53 -9.758 -1.115 -10.505 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.010 0.096 -10.689 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.448 -1.860 -9.768 1.00 0.00 O ATOM 0 H ASP A 53 -7.373 -1.866 -9.017 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.562 -1.539 -11.813 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.817 -1.582 -12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.622 -2.816 -11.143 1.00 0.00 H new ATOM 666 N PRO A 54 -6.870 0.947 -12.197 1.00 0.00 N ATOM 667 CA PRO A 54 -6.758 2.393 -12.339 1.00 0.00 C ATOM 668 C PRO A 54 -8.100 3.087 -12.638 1.00 0.00 C ATOM 669 O PRO A 54 -8.090 4.274 -12.969 1.00 0.00 O ATOM 670 CB PRO A 54 -5.750 2.566 -13.484 1.00 0.00 C ATOM 671 CG PRO A 54 -6.064 1.395 -14.411 1.00 0.00 C ATOM 672 CD PRO A 54 -6.471 0.289 -13.439 1.00 0.00 C ATOM 0 HA PRO A 54 -6.437 2.866 -11.411 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.876 3.524 -13.989 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.722 2.529 -13.124 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.867 1.636 -15.108 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.198 1.109 -15.008 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.293 -0.301 -13.846 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.642 -0.397 -13.264 1.00 0.00 H new ATOM 677 N LYS A 55 -9.246 2.388 -12.559 1.00 0.00 N ATOM 678 CA LYS A 55 -10.519 2.870 -13.147 1.00 0.00 C ATOM 679 C LYS A 55 -11.712 2.889 -12.182 1.00 0.00 C ATOM 680 O LYS A 55 -12.444 3.876 -12.123 1.00 0.00 O ATOM 681 CB LYS A 55 -10.860 2.003 -14.375 1.00 0.00 C ATOM 682 CG LYS A 55 -10.068 2.340 -15.648 1.00 0.00 C ATOM 683 CD LYS A 55 -10.395 3.729 -16.206 1.00 0.00 C ATOM 684 CE LYS A 55 -9.764 3.924 -17.587 1.00 0.00 C ATOM 685 NZ LYS A 55 -9.989 5.302 -18.082 1.00 0.00 N ATOM 0 H LYS A 55 -9.322 1.484 -12.093 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.352 3.912 -13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.685 0.957 -14.122 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.924 2.105 -14.589 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.001 2.283 -15.431 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.279 1.590 -16.410 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.476 3.853 -16.275 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.029 4.495 -15.523 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.694 3.723 -17.534 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.189 3.207 -18.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.552 5.410 -19.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.011 5.483 -18.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.562 5.982 -17.421 1.00 0.00 H new ATOM 695 N GLN A 56 -11.928 1.812 -11.432 1.00 0.00 N ATOM 696 CA GLN A 56 -12.930 1.714 -10.370 1.00 0.00 C ATOM 697 C GLN A 56 -12.331 2.074 -8.999 1.00 0.00 C ATOM 698 O GLN A 56 -13.071 2.501 -8.110 1.00 0.00 O ATOM 699 CB GLN A 56 -13.520 0.296 -10.356 1.00 0.00 C ATOM 700 CG GLN A 56 -14.091 -0.156 -11.717 1.00 0.00 C ATOM 701 CD GLN A 56 -13.194 -1.162 -12.444 1.00 0.00 C ATOM 702 OE1 GLN A 56 -12.533 -0.871 -13.437 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.123 -2.386 -11.973 1.00 0.00 N ATOM 0 H GLN A 56 -11.392 0.952 -11.550 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.725 2.432 -10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.746 -0.406 -10.046 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.311 0.249 -9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.074 -0.601 -11.561 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.234 0.718 -12.352 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.664 -2.648 -11.149 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.526 -3.075 -12.431 1.00 0.00 H new ATOM 710 N VAL A 57 -11.005 1.959 -8.837 1.00 0.00 N ATOM 711 CA VAL A 57 -10.242 2.541 -7.720 1.00 0.00 C ATOM 712 C VAL A 57 -8.986 3.282 -8.227 1.00 0.00 C ATOM 713 O VAL A 57 -8.938 3.721 -9.378 1.00 0.00 O ATOM 714 CB VAL A 57 -9.925 1.493 -6.620 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.209 0.860 -6.062 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.953 0.378 -7.047 1.00 0.00 C ATOM 0 H VAL A 57 -10.418 1.446 -9.495 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.875 3.289 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.417 2.067 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.951 0.131 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.839 1.637 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.749 0.363 -6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.793 -0.305 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.376 -0.170 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.001 0.819 -7.342 1.00 0.00 H new ATOM 726 N SER A 58 -7.992 3.457 -7.355 1.00 0.00 N ATOM 727 CA SER A 58 -6.697 4.117 -7.559 1.00 0.00 C ATOM 728 C SER A 58 -5.844 3.916 -6.285 1.00 0.00 C ATOM 729 O SER A 58 -6.267 3.200 -5.367 1.00 0.00 O ATOM 730 CB SER A 58 -6.905 5.613 -7.865 1.00 0.00 C ATOM 731 OG SER A 58 -7.472 6.290 -6.757 1.00 0.00 O ATOM 0 H SER A 58 -8.079 3.109 -6.400 1.00 0.00 H new ATOM 0 HA SER A 58 -6.177 3.681 -8.412 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.950 6.070 -8.123 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.556 5.722 -8.733 1.00 0.00 H new ATOM 0 HG SER A 58 -7.591 7.237 -6.978 1.00 0.00 H new ATOM 736 N GLU A 59 -4.697 4.598 -6.156 1.00 0.00 N ATOM 737 CA GLU A 59 -3.891 4.636 -4.921 1.00 0.00 C ATOM 738 C GLU A 59 -4.699 5.060 -3.669 1.00 0.00 C ATOM 739 O GLU A 59 -4.333 4.717 -2.545 1.00 0.00 O ATOM 740 CB GLU A 59 -2.625 5.495 -5.145 1.00 0.00 C ATOM 741 CG GLU A 59 -2.869 7.009 -5.292 1.00 0.00 C ATOM 742 CD GLU A 59 -1.722 7.714 -6.028 1.00 0.00 C ATOM 743 OE1 GLU A 59 -0.584 7.810 -5.516 1.00 0.00 O ATOM 744 OE2 GLU A 59 -1.934 8.188 -7.169 1.00 0.00 O ATOM 0 H GLU A 59 -4.295 5.147 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.575 3.616 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.945 5.334 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.118 5.137 -6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.801 7.174 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.991 7.453 -4.304 1.00 0.00 H new ATOM 749 N ILE A 60 -5.863 5.703 -3.847 1.00 0.00 N ATOM 750 CA ILE A 60 -6.850 5.998 -2.791 1.00 0.00 C ATOM 751 C ILE A 60 -7.277 4.751 -1.988 1.00 0.00 C ATOM 752 O ILE A 60 -7.514 4.867 -0.779 1.00 0.00 O ATOM 753 CB ILE A 60 -8.059 6.725 -3.435 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.686 8.113 -4.016 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.240 6.862 -2.463 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.224 9.161 -2.996 1.00 0.00 C ATOM 0 H ILE A 60 -6.156 6.045 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.382 6.649 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.368 6.090 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.894 7.977 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.552 8.508 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.062 7.377 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.570 5.872 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.928 7.434 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.989 10.092 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.018 9.338 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.335 8.799 -2.479 1.00 0.00 H new ATOM 767 N THR A 61 -7.336 3.558 -2.608 1.00 0.00 N ATOM 768 CA THR A 61 -7.653 2.280 -1.929 1.00 0.00 C ATOM 769 C THR A 61 -6.730 2.029 -0.750 1.00 0.00 C ATOM 770 O THR A 61 -7.195 1.669 0.330 1.00 0.00 O ATOM 771 CB THR A 61 -7.627 1.116 -2.934 1.00 0.00 C ATOM 772 OG1 THR A 61 -8.929 1.027 -3.455 1.00 0.00 O ATOM 773 CG2 THR A 61 -7.307 -0.261 -2.349 1.00 0.00 C ATOM 0 H THR A 61 -7.163 3.449 -3.607 1.00 0.00 H new ATOM 0 HA THR A 61 -8.663 2.352 -1.525 1.00 0.00 H new ATOM 0 HB THR A 61 -6.836 1.338 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.182 0.084 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.315 -1.005 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.322 -0.239 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.056 -0.521 -1.601 1.00 0.00 H new ATOM 781 N ILE A 62 -5.429 2.216 -0.961 1.00 0.00 N ATOM 782 CA ILE A 62 -4.386 1.848 0.003 1.00 0.00 C ATOM 783 C ILE A 62 -3.912 3.060 0.822 1.00 0.00 C ATOM 784 O ILE A 62 -3.585 2.901 2.000 1.00 0.00 O ATOM 785 CB ILE A 62 -3.295 1.058 -0.757 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.536 0.102 0.183 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.364 1.966 -1.574 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.532 -0.796 -0.555 1.00 0.00 C ATOM 0 H ILE A 62 -5.061 2.633 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.767 1.183 0.778 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.804 0.436 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.007 0.686 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.254 -0.524 0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.619 1.357 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.948 2.519 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.863 2.668 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.030 -1.446 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.060 -1.405 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.793 -0.175 -1.062 1.00 0.00 H new ATOM 799 N GLN A 63 -4.004 4.277 0.269 1.00 0.00 N ATOM 800 CA GLN A 63 -3.800 5.533 0.996 1.00 0.00 C ATOM 801 C GLN A 63 -4.709 5.621 2.226 1.00 0.00 C ATOM 802 O GLN A 63 -4.211 5.901 3.310 1.00 0.00 O ATOM 803 CB GLN A 63 -4.042 6.730 0.055 1.00 0.00 C ATOM 804 CG GLN A 63 -3.714 8.085 0.713 1.00 0.00 C ATOM 805 CD GLN A 63 -3.931 9.275 -0.226 1.00 0.00 C ATOM 806 OE1 GLN A 63 -3.743 9.207 -1.437 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.341 10.412 0.283 1.00 0.00 N ATOM 0 H GLN A 63 -4.227 4.416 -0.717 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.769 5.560 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.433 6.610 -0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.084 6.730 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.335 8.211 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.677 8.078 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.504 10.492 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.497 11.216 -0.325 1.00 0.00 H new ATOM 814 N GLU A 64 -6.011 5.345 2.094 1.00 0.00 N ATOM 815 CA GLU A 64 -6.977 5.488 3.196 1.00 0.00 C ATOM 816 C GLU A 64 -6.793 4.465 4.345 1.00 0.00 C ATOM 817 O GLU A 64 -7.432 4.612 5.391 1.00 0.00 O ATOM 818 CB GLU A 64 -8.405 5.457 2.618 1.00 0.00 C ATOM 819 CG GLU A 64 -8.757 6.714 1.794 1.00 0.00 C ATOM 820 CD GLU A 64 -8.945 7.988 2.627 1.00 0.00 C ATOM 821 OE1 GLU A 64 -9.312 7.897 3.823 1.00 0.00 O ATOM 822 OE2 GLU A 64 -8.806 9.109 2.077 1.00 0.00 O ATOM 0 H GLU A 64 -6.427 5.016 1.223 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.789 6.452 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.515 4.575 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.118 5.355 3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.967 6.886 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.673 6.522 1.235 1.00 0.00 H new ATOM 827 N ARG A 65 -5.904 3.466 4.188 1.00 0.00 N ATOM 828 CA ARG A 65 -5.350 2.627 5.271 1.00 0.00 C ATOM 829 C ARG A 65 -3.989 3.170 5.725 1.00 0.00 C ATOM 830 O ARG A 65 -3.805 3.418 6.913 1.00 0.00 O ATOM 831 CB ARG A 65 -5.239 1.163 4.791 1.00 0.00 C ATOM 832 CG ARG A 65 -4.516 0.174 5.742 1.00 0.00 C ATOM 833 CD ARG A 65 -5.415 -0.712 6.618 1.00 0.00 C ATOM 834 NE ARG A 65 -6.137 0.023 7.674 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.228 -0.329 8.956 1.00 0.00 C ATOM 836 NH1 ARG A 65 -5.434 -1.218 9.519 1.00 0.00 N ATOM 837 NH2 ARG A 65 -7.159 0.220 9.703 1.00 0.00 N ATOM 0 H ARG A 65 -5.538 3.211 3.271 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.021 2.657 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.246 0.787 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.719 1.157 3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.879 -0.475 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.860 0.747 6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.140 -1.218 5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.804 -1.486 7.082 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.612 0.882 7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.706 -1.673 8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.547 -1.451 10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.799 0.905 9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.242 -0.038 10.686 1.00 0.00 H new ATOM 848 N ILE A 66 -3.034 3.367 4.810 1.00 0.00 N ATOM 849 CA ILE A 66 -1.657 3.787 5.145 1.00 0.00 C ATOM 850 C ILE A 66 -1.649 5.126 5.898 1.00 0.00 C ATOM 851 O ILE A 66 -1.044 5.222 6.962 1.00 0.00 O ATOM 852 CB ILE A 66 -0.788 3.797 3.859 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.593 2.359 3.319 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.597 4.413 4.121 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.038 2.308 1.891 1.00 0.00 C ATOM 0 H ILE A 66 -3.189 3.241 3.810 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.212 3.066 5.831 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.316 4.403 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.084 1.820 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.549 1.837 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.179 4.404 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.479 5.440 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.115 3.832 4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.072 1.269 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.725 2.818 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.934 2.801 1.861 1.00 0.00 H new ATOM 866 N ALA A 67 -2.383 6.131 5.418 1.00 0.00 N ATOM 867 CA ALA A 67 -2.483 7.437 6.071 1.00 0.00 C ATOM 868 C ALA A 67 -3.255 7.383 7.412 1.00 0.00 C ATOM 869 O ALA A 67 -3.069 8.257 8.258 1.00 0.00 O ATOM 870 CB ALA A 67 -3.140 8.418 5.088 1.00 0.00 C ATOM 0 H ALA A 67 -2.929 6.061 4.559 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.479 7.775 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.224 9.399 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.529 8.496 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.133 8.056 4.822 1.00 0.00 H new ATOM 876 N ALA A 68 -4.104 6.366 7.630 1.00 0.00 N ATOM 877 CA ALA A 68 -4.866 6.149 8.870 1.00 0.00 C ATOM 878 C ALA A 68 -4.059 5.388 9.942 1.00 0.00 C ATOM 879 O ALA A 68 -4.333 5.514 11.137 1.00 0.00 O ATOM 880 CB ALA A 68 -6.169 5.418 8.516 1.00 0.00 C ATOM 0 H ALA A 68 -4.285 5.650 6.926 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.093 7.118 9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.749 5.248 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.750 6.026 7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.934 4.461 8.050 1.00 0.00 H new ATOM 886 N LEU A 69 -3.014 4.662 9.529 1.00 0.00 N ATOM 887 CA LEU A 69 -1.901 4.260 10.399 1.00 0.00 C ATOM 888 C LEU A 69 -0.957 5.432 10.750 1.00 0.00 C ATOM 889 O LEU A 69 -0.057 5.255 11.570 1.00 0.00 O ATOM 890 CB LEU A 69 -1.133 3.090 9.745 1.00 0.00 C ATOM 891 CG LEU A 69 -1.527 1.683 10.237 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.307 1.524 11.749 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.966 1.309 9.862 1.00 0.00 C ATOM 0 H LEU A 69 -2.916 4.332 8.569 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.323 3.929 11.348 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.286 3.135 8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.067 3.233 9.922 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.864 0.989 9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.597 0.519 12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.255 1.685 11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.913 2.255 12.284 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.190 0.309 10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.656 2.025 10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.076 1.327 8.778 1.00 0.00 H new ATOM 904 N GLY A 70 -1.134 6.617 10.149 1.00 0.00 N ATOM 905 CA GLY A 70 -0.257 7.788 10.318 1.00 0.00 C ATOM 906 C GLY A 70 0.972 7.774 9.401 1.00 0.00 C ATOM 907 O GLY A 70 1.814 8.669 9.483 1.00 0.00 O ATOM 0 H GLY A 70 -1.912 6.794 9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.833 8.693 10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.075 7.836 11.355 1.00 0.00 H new ATOM 911 N TYR A 71 1.081 6.768 8.531 1.00 0.00 N ATOM 912 CA TYR A 71 2.157 6.591 7.553 1.00 0.00 C ATOM 913 C TYR A 71 1.835 7.369 6.256 1.00 0.00 C ATOM 914 O TYR A 71 0.900 8.177 6.223 1.00 0.00 O ATOM 915 CB TYR A 71 2.335 5.070 7.339 1.00 0.00 C ATOM 916 CG TYR A 71 2.576 4.212 8.577 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.049 4.763 9.787 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.283 2.833 8.515 1.00 0.00 C ATOM 919 CE1 TYR A 71 3.163 3.965 10.939 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.405 2.024 9.662 1.00 0.00 C ATOM 921 CZ TYR A 71 2.827 2.596 10.882 1.00 0.00 C ATOM 922 OH TYR A 71 2.901 1.834 12.004 1.00 0.00 O ATOM 0 H TYR A 71 0.389 6.020 8.487 1.00 0.00 H new ATOM 0 HA TYR A 71 3.103 7.002 7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.444 4.694 6.836 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.172 4.921 6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.326 5.806 9.828 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.963 2.395 7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.507 4.399 11.866 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.176 0.970 9.608 1.00 0.00 H new ATOM 0 HH TYR A 71 2.418 0.993 11.861 1.00 0.00 H new ATOM 931 N THR A 72 2.571 7.137 5.163 1.00 0.00 N ATOM 932 CA THR A 72 2.285 7.727 3.839 1.00 0.00 C ATOM 933 C THR A 72 2.895 6.877 2.717 1.00 0.00 C ATOM 934 O THR A 72 3.599 5.914 3.006 1.00 0.00 O ATOM 935 CB THR A 72 2.746 9.190 3.803 1.00 0.00 C ATOM 936 OG1 THR A 72 2.195 9.800 2.656 1.00 0.00 O ATOM 937 CG2 THR A 72 4.271 9.328 3.797 1.00 0.00 C ATOM 0 H THR A 72 3.390 6.530 5.167 1.00 0.00 H new ATOM 0 HA THR A 72 1.208 7.727 3.668 1.00 0.00 H new ATOM 0 HB THR A 72 2.397 9.683 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.477 10.738 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.541 10.384 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.681 8.871 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.678 8.828 2.918 1.00 0.00 H new ATOM 945 N LEU A 73 2.630 7.213 1.451 1.00 0.00 N ATOM 946 CA LEU A 73 2.909 6.387 0.263 1.00 0.00 C ATOM 947 C LEU A 73 3.345 7.200 -0.968 1.00 0.00 C ATOM 948 O LEU A 73 3.269 8.429 -0.966 1.00 0.00 O ATOM 949 CB LEU A 73 1.665 5.520 -0.051 1.00 0.00 C ATOM 950 CG LEU A 73 0.504 6.212 -0.810 1.00 0.00 C ATOM 951 CD1 LEU A 73 -0.618 5.194 -1.042 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.085 7.430 -0.082 1.00 0.00 C ATOM 0 H LEU A 73 2.197 8.105 1.211 1.00 0.00 H new ATOM 0 HA LEU A 73 3.762 5.751 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.989 4.660 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.273 5.134 0.890 1.00 0.00 H new ATOM 0 HG LEU A 73 0.926 6.578 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.439 5.673 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.237 4.361 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.977 4.823 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.891 7.856 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.476 7.121 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.694 8.179 0.063 1.00 0.00 H new ATOM 963 N ALA A 74 3.748 6.508 -2.039 1.00 0.00 N ATOM 964 CA ALA A 74 3.917 7.046 -3.392 1.00 0.00 C ATOM 965 C ALA A 74 3.805 5.944 -4.463 1.00 0.00 C ATOM 966 O ALA A 74 4.346 4.849 -4.299 1.00 0.00 O ATOM 967 CB ALA A 74 5.267 7.771 -3.500 1.00 0.00 C ATOM 0 H ALA A 74 3.975 5.515 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 74 3.112 7.757 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.387 8.169 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.299 8.589 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.074 7.070 -3.288 1.00 0.00 H new ATOM 973 N GLU A 75 3.176 6.255 -5.596 1.00 0.00 N ATOM 974 CA GLU A 75 3.064 5.377 -6.775 1.00 0.00 C ATOM 975 C GLU A 75 2.873 6.270 -8.019 1.00 0.00 C ATOM 976 O GLU A 75 1.733 6.516 -8.432 1.00 0.00 O ATOM 977 CB GLU A 75 1.942 4.331 -6.570 1.00 0.00 C ATOM 978 CG GLU A 75 2.182 2.980 -7.264 1.00 0.00 C ATOM 979 CD GLU A 75 2.075 3.035 -8.788 1.00 0.00 C ATOM 980 OE1 GLU A 75 3.003 3.573 -9.434 1.00 0.00 O ATOM 981 OE2 GLU A 75 1.093 2.490 -9.341 1.00 0.00 O ATOM 0 H GLU A 75 2.713 7.154 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 75 3.972 4.792 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.818 4.157 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.004 4.749 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.173 2.615 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.461 2.256 -6.885 1.00 0.00 H new ATOM 986 N PRO A 76 3.957 6.893 -8.526 1.00 0.00 N ATOM 987 CA PRO A 76 3.892 8.008 -9.473 1.00 0.00 C ATOM 988 C PRO A 76 3.779 7.608 -10.951 1.00 0.00 C ATOM 989 O PRO A 76 3.318 8.476 -11.727 1.00 0.00 O ATOM 990 CB PRO A 76 5.163 8.817 -9.199 1.00 0.00 C ATOM 991 CG PRO A 76 6.176 7.744 -8.817 1.00 0.00 C ATOM 992 CD PRO A 76 5.319 6.772 -8.013 1.00 0.00 C ATOM 0 HA PRO A 76 2.974 8.574 -9.316 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.481 9.378 -10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.017 9.539 -8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.618 7.270 -9.693 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.997 8.150 -8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.685 5.751 -8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.355 7.011 -6.950 1.00 0.00 H new TER 997 PRO A 76