USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0771 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 47:sc= 0.805 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.267 (180deg=-0.51) USER MOD Single : A 21 THR OG1 : rot 31:sc= 0.308 USER MOD Single : A 26 TYR OH : rot 110:sc= 0.74 USER MOD Single : A 30 THR OG1 : rot -114:sc= 1.29 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 28:sc= -2.56 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.338 K(o=0.34,f=-11!) USER MOD Single : A 61 CYS SG : rot 128:sc= 0.581 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 0.223 (180deg=0.102) USER MOD Single : A 72 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-2.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.1 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.644 -24.920 -8.929 1.00 0.00 N ATOM 2 CA GLY A 1 11.226 -23.980 -7.932 1.00 0.00 C ATOM 3 C GLY A 1 10.446 -22.685 -7.831 1.00 0.00 C ATOM 4 O GLY A 1 9.446 -22.498 -8.526 1.00 0.00 O ATOM 0 H1 GLY A 1 10.405 -25.818 -8.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.784 -24.503 -9.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.336 -25.097 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.252 -24.462 -6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.258 -23.759 -8.205 1.00 0.00 H new ATOM 10 N SER A 2 10.902 -21.787 -6.963 1.00 0.00 N ATOM 11 CA SER A 2 10.239 -20.502 -6.774 1.00 0.00 C ATOM 12 C SER A 2 11.061 -19.593 -5.866 1.00 0.00 C ATOM 13 O SER A 2 10.859 -19.566 -4.651 1.00 0.00 O ATOM 14 CB SER A 2 8.843 -20.709 -6.182 1.00 0.00 C ATOM 15 OG SER A 2 7.933 -19.737 -6.668 1.00 0.00 O ATOM 0 H SER A 2 11.727 -21.926 -6.380 1.00 0.00 H new ATOM 0 HA SER A 2 10.146 -20.022 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.483 -21.707 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.894 -20.653 -5.095 1.00 0.00 H new ATOM 0 HG SER A 2 7.048 -19.892 -6.276 1.00 0.00 H new ATOM 21 N SER A 3 11.987 -18.851 -6.462 1.00 0.00 N ATOM 22 CA SER A 3 12.840 -17.940 -5.706 1.00 0.00 C ATOM 23 C SER A 3 12.852 -16.552 -6.339 1.00 0.00 C ATOM 24 O SER A 3 13.848 -15.833 -6.263 1.00 0.00 O ATOM 25 CB SER A 3 14.265 -18.490 -5.629 1.00 0.00 C ATOM 26 OG SER A 3 14.661 -19.058 -6.865 1.00 0.00 O ATOM 0 H SER A 3 12.167 -18.862 -7.466 1.00 0.00 H new ATOM 0 HA SER A 3 12.435 -17.855 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.953 -17.689 -5.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.325 -19.243 -4.843 1.00 0.00 H new ATOM 0 HG SER A 3 15.576 -19.401 -6.789 1.00 0.00 H new ATOM 32 N GLY A 4 11.738 -16.183 -6.962 1.00 0.00 N ATOM 33 CA GLY A 4 11.641 -14.881 -7.599 1.00 0.00 C ATOM 34 C GLY A 4 10.671 -13.959 -6.889 1.00 0.00 C ATOM 35 O GLY A 4 9.838 -13.313 -7.525 1.00 0.00 O ATOM 0 H GLY A 4 10.901 -16.761 -7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.627 -14.417 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.324 -15.009 -8.634 1.00 0.00 H new ATOM 39 N SER A 5 10.778 -13.896 -5.565 1.00 0.00 N ATOM 40 CA SER A 5 9.903 -13.046 -4.766 1.00 0.00 C ATOM 41 C SER A 5 10.682 -11.887 -4.152 1.00 0.00 C ATOM 42 O SER A 5 11.822 -12.053 -3.719 1.00 0.00 O ATOM 43 CB SER A 5 9.229 -13.865 -3.664 1.00 0.00 C ATOM 44 OG SER A 5 8.075 -13.207 -3.173 1.00 0.00 O ATOM 0 H SER A 5 11.462 -14.424 -5.023 1.00 0.00 H new ATOM 0 HA SER A 5 9.137 -12.636 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.955 -14.846 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.932 -14.030 -2.848 1.00 0.00 H new ATOM 0 HG SER A 5 7.662 -13.752 -2.471 1.00 0.00 H new ATOM 50 N SER A 6 10.058 -10.715 -4.117 1.00 0.00 N ATOM 51 CA SER A 6 10.691 -9.527 -3.556 1.00 0.00 C ATOM 52 C SER A 6 9.839 -8.934 -2.437 1.00 0.00 C ATOM 53 O SER A 6 8.999 -8.068 -2.677 1.00 0.00 O ATOM 54 CB SER A 6 10.919 -8.480 -4.649 1.00 0.00 C ATOM 55 OG SER A 6 9.697 -8.106 -5.259 1.00 0.00 O ATOM 0 H SER A 6 9.114 -10.562 -4.471 1.00 0.00 H new ATOM 0 HA SER A 6 11.654 -9.821 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.399 -7.600 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.598 -8.878 -5.403 1.00 0.00 H new ATOM 0 HG SER A 6 9.026 -7.930 -4.567 1.00 0.00 H new ATOM 61 N GLY A 7 10.064 -9.407 -1.215 1.00 0.00 N ATOM 62 CA GLY A 7 9.309 -8.912 -0.080 1.00 0.00 C ATOM 63 C GLY A 7 9.878 -7.623 0.479 1.00 0.00 C ATOM 64 O GLY A 7 11.082 -7.517 0.713 1.00 0.00 O ATOM 0 H GLY A 7 10.755 -10.123 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.274 -8.748 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.298 -9.670 0.703 1.00 0.00 H new ATOM 68 N LEU A 8 9.010 -6.639 0.695 1.00 0.00 N ATOM 69 CA LEU A 8 9.432 -5.350 1.230 1.00 0.00 C ATOM 70 C LEU A 8 9.360 -5.343 2.753 1.00 0.00 C ATOM 71 O LEU A 8 8.851 -6.282 3.365 1.00 0.00 O ATOM 72 CB LEU A 8 8.560 -4.229 0.661 1.00 0.00 C ATOM 73 CG LEU A 8 8.648 -4.046 -0.856 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.272 -3.777 -1.445 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.606 -2.916 -1.201 1.00 0.00 C ATOM 0 H LEU A 8 8.010 -6.710 0.507 1.00 0.00 H new ATOM 0 HA LEU A 8 10.467 -5.182 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.522 -4.426 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.841 -3.292 1.142 1.00 0.00 H new ATOM 0 HG LEU A 8 9.032 -4.969 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.357 -3.650 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.613 -4.618 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.859 -2.870 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.657 -2.800 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.251 -1.988 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.598 -3.149 -0.814 1.00 0.00 H new ATOM 87 N ARG A 9 9.872 -4.277 3.361 1.00 0.00 N ATOM 88 CA ARG A 9 9.864 -4.148 4.814 1.00 0.00 C ATOM 89 C ARG A 9 8.752 -3.209 5.270 1.00 0.00 C ATOM 90 O ARG A 9 8.084 -2.578 4.450 1.00 0.00 O ATOM 91 CB ARG A 9 11.217 -3.632 5.309 1.00 0.00 C ATOM 92 CG ARG A 9 12.359 -4.612 5.093 1.00 0.00 C ATOM 93 CD ARG A 9 13.699 -3.991 5.449 1.00 0.00 C ATOM 94 NE ARG A 9 13.941 -4.000 6.889 1.00 0.00 N ATOM 95 CZ ARG A 9 15.144 -3.847 7.441 1.00 0.00 C ATOM 96 NH1 ARG A 9 16.215 -3.671 6.676 1.00 0.00 N ATOM 97 NH2 ARG A 9 15.276 -3.868 8.760 1.00 0.00 N ATOM 0 H ARG A 9 10.297 -3.491 2.870 1.00 0.00 H new ATOM 0 HA ARG A 9 9.681 -5.134 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.449 -2.698 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.142 -3.403 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.196 -5.502 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.371 -4.935 4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.497 -4.536 4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.732 -2.965 5.082 1.00 0.00 H new ATOM 0 HE ARG A 9 13.142 -4.131 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.119 -3.652 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.134 -3.554 7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.457 -4.001 9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.197 -3.751 9.182 1.00 0.00 H new ATOM 111 N LEU A 10 8.562 -3.118 6.581 1.00 0.00 N ATOM 112 CA LEU A 10 7.532 -2.255 7.147 1.00 0.00 C ATOM 113 C LEU A 10 8.091 -0.868 7.450 1.00 0.00 C ATOM 114 O LEU A 10 9.284 -0.711 7.709 1.00 0.00 O ATOM 115 CB LEU A 10 6.960 -2.876 8.423 1.00 0.00 C ATOM 116 CG LEU A 10 6.541 -4.341 8.299 1.00 0.00 C ATOM 117 CD1 LEU A 10 6.786 -5.078 9.607 1.00 0.00 C ATOM 118 CD2 LEU A 10 5.078 -4.443 7.892 1.00 0.00 C ATOM 0 H LEU A 10 9.108 -3.632 7.273 1.00 0.00 H new ATOM 0 HA LEU A 10 6.734 -2.154 6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.705 -2.793 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.095 -2.292 8.737 1.00 0.00 H new ATOM 0 HG LEU A 10 7.147 -4.809 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.482 -6.119 9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.846 -5.033 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.206 -4.610 10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.796 -5.493 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.456 -3.959 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.933 -3.950 6.931 1.00 0.00 H new ATOM 130 N GLY A 11 7.220 0.135 7.414 1.00 0.00 N ATOM 131 CA GLY A 11 7.645 1.496 7.687 1.00 0.00 C ATOM 132 C GLY A 11 8.656 2.003 6.676 1.00 0.00 C ATOM 133 O GLY A 11 9.660 2.612 7.044 1.00 0.00 O ATOM 0 H GLY A 11 6.228 0.030 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.775 2.152 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.079 1.544 8.686 1.00 0.00 H new ATOM 137 N ASP A 12 8.389 1.752 5.398 1.00 0.00 N ATOM 138 CA ASP A 12 9.282 2.189 4.331 1.00 0.00 C ATOM 139 C ASP A 12 8.542 3.065 3.326 1.00 0.00 C ATOM 140 O ASP A 12 7.367 2.838 3.035 1.00 0.00 O ATOM 141 CB ASP A 12 9.891 0.978 3.621 1.00 0.00 C ATOM 142 CG ASP A 12 11.291 0.664 4.110 1.00 0.00 C ATOM 143 OD1 ASP A 12 12.123 1.594 4.165 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.557 -0.510 4.439 1.00 0.00 O ATOM 0 H ASP A 12 7.562 1.249 5.077 1.00 0.00 H new ATOM 0 HA ASP A 12 10.082 2.779 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.251 0.109 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.918 1.165 2.548 1.00 0.00 H new ATOM 149 N ARG A 13 9.237 4.067 2.798 1.00 0.00 N ATOM 150 CA ARG A 13 8.647 4.978 1.824 1.00 0.00 C ATOM 151 C ARG A 13 8.699 4.382 0.421 1.00 0.00 C ATOM 152 O ARG A 13 9.777 4.166 -0.133 1.00 0.00 O ATOM 153 CB ARG A 13 9.375 6.325 1.849 1.00 0.00 C ATOM 154 CG ARG A 13 8.439 7.522 1.878 1.00 0.00 C ATOM 155 CD ARG A 13 9.014 8.658 2.708 1.00 0.00 C ATOM 156 NE ARG A 13 8.618 8.566 4.112 1.00 0.00 N ATOM 157 CZ ARG A 13 9.244 9.197 5.102 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.296 9.967 4.848 1.00 0.00 N ATOM 159 NH2 ARG A 13 8.819 9.059 6.350 1.00 0.00 N ATOM 0 H ARG A 13 10.210 4.269 3.028 1.00 0.00 H new ATOM 0 HA ARG A 13 7.602 5.133 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.025 6.361 2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.017 6.398 0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.258 7.869 0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.475 7.222 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.102 8.645 2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.679 9.611 2.299 1.00 0.00 H new ATOM 0 HE ARG A 13 7.814 7.984 4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.628 10.077 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.772 10.448 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.012 8.469 6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.299 9.543 7.109 1.00 0.00 H new ATOM 173 N VAL A 14 7.528 4.115 -0.148 1.00 0.00 N ATOM 174 CA VAL A 14 7.441 3.542 -1.485 1.00 0.00 C ATOM 175 C VAL A 14 6.617 4.429 -2.413 1.00 0.00 C ATOM 176 O VAL A 14 5.799 5.229 -1.959 1.00 0.00 O ATOM 177 CB VAL A 14 6.818 2.134 -1.453 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.723 1.166 -0.706 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.434 2.177 -0.823 1.00 0.00 C ATOM 0 H VAL A 14 6.626 4.287 0.297 1.00 0.00 H new ATOM 0 HA VAL A 14 8.460 3.472 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 14 6.714 1.779 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.266 0.176 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.690 1.113 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.862 1.514 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.009 1.173 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.510 2.553 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.789 2.836 -1.405 1.00 0.00 H new ATOM 189 N LEU A 15 6.838 4.281 -3.715 1.00 0.00 N ATOM 190 CA LEU A 15 6.116 5.068 -4.709 1.00 0.00 C ATOM 191 C LEU A 15 5.058 4.223 -5.410 1.00 0.00 C ATOM 192 O LEU A 15 5.378 3.243 -6.083 1.00 0.00 O ATOM 193 CB LEU A 15 7.091 5.643 -5.739 1.00 0.00 C ATOM 194 CG LEU A 15 6.493 6.686 -6.686 1.00 0.00 C ATOM 195 CD1 LEU A 15 5.831 7.806 -5.898 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.567 7.243 -7.608 1.00 0.00 C ATOM 0 H LEU A 15 7.512 3.623 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 15 5.616 5.888 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.930 6.094 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.493 4.823 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 15 5.731 6.201 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.412 8.538 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.035 7.394 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.572 8.290 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.126 7.983 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.350 7.712 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.996 6.433 -8.198 1.00 0.00 H new ATOM 208 N VAL A 16 3.796 4.608 -5.248 1.00 0.00 N ATOM 209 CA VAL A 16 2.691 3.886 -5.866 1.00 0.00 C ATOM 210 C VAL A 16 2.184 4.613 -7.106 1.00 0.00 C ATOM 211 O VAL A 16 1.638 5.713 -7.012 1.00 0.00 O ATOM 212 CB VAL A 16 1.522 3.696 -4.881 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.470 2.771 -5.473 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.026 3.161 -3.550 1.00 0.00 C ATOM 0 H VAL A 16 3.514 5.416 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 16 3.075 2.907 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 16 1.060 4.667 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.348 2.649 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.086 3.201 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.917 1.799 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.186 3.033 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.516 2.200 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.738 3.866 -3.121 1.00 0.00 H new ATOM 224 N GLY A 17 2.368 3.993 -8.267 1.00 0.00 N ATOM 225 CA GLY A 17 1.922 4.597 -9.508 1.00 0.00 C ATOM 226 C GLY A 17 3.034 5.341 -10.223 1.00 0.00 C ATOM 227 O GLY A 17 3.027 5.450 -11.449 1.00 0.00 O ATOM 0 H GLY A 17 2.818 3.083 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.527 3.822 -10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.103 5.286 -9.300 1.00 0.00 H new ATOM 231 N GLY A 18 3.990 5.852 -9.454 1.00 0.00 N ATOM 232 CA GLY A 18 5.099 6.582 -10.039 1.00 0.00 C ATOM 233 C GLY A 18 4.993 8.078 -9.812 1.00 0.00 C ATOM 234 O GLY A 18 5.429 8.871 -10.645 1.00 0.00 O ATOM 0 H GLY A 18 4.016 5.774 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.034 6.218 -9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.137 6.382 -11.110 1.00 0.00 H new ATOM 238 N THR A 19 4.412 8.462 -8.681 1.00 0.00 N ATOM 239 CA THR A 19 4.249 9.872 -8.345 1.00 0.00 C ATOM 240 C THR A 19 3.727 10.036 -6.922 1.00 0.00 C ATOM 241 O THR A 19 4.184 10.902 -6.177 1.00 0.00 O ATOM 242 CB THR A 19 3.294 10.545 -9.332 1.00 0.00 C ATOM 243 OG1 THR A 19 2.962 11.852 -8.895 1.00 0.00 O ATOM 244 CG2 THR A 19 2.002 9.783 -9.527 1.00 0.00 C ATOM 0 H THR A 19 4.046 7.817 -7.981 1.00 0.00 H new ATOM 0 HA THR A 19 5.226 10.351 -8.411 1.00 0.00 H new ATOM 0 HB THR A 19 3.828 10.570 -10.282 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.352 12.267 -9.540 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.370 10.314 -10.239 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.222 8.786 -9.910 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.482 9.698 -8.573 1.00 0.00 H new ATOM 252 N LYS A 20 2.764 9.196 -6.550 1.00 0.00 N ATOM 253 CA LYS A 20 2.179 9.248 -5.216 1.00 0.00 C ATOM 254 C LYS A 20 3.083 8.559 -4.198 1.00 0.00 C ATOM 255 O LYS A 20 3.220 7.336 -4.201 1.00 0.00 O ATOM 256 CB LYS A 20 0.798 8.588 -5.216 1.00 0.00 C ATOM 257 CG LYS A 20 -0.183 9.234 -6.181 1.00 0.00 C ATOM 258 CD LYS A 20 -0.789 8.213 -7.131 1.00 0.00 C ATOM 259 CE LYS A 20 -2.057 7.602 -6.558 1.00 0.00 C ATOM 260 NZ LYS A 20 -1.806 6.267 -5.951 1.00 0.00 N ATOM 0 H LYS A 20 2.374 8.473 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 20 2.075 10.295 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.908 7.534 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.384 8.629 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.977 9.725 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.327 10.008 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.013 8.690 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.063 7.425 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.473 8.271 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.803 7.507 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.630 5.983 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.646 5.568 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.966 6.316 -5.340 1.00 0.00 H new ATOM 274 N THR A 21 3.699 9.354 -3.329 1.00 0.00 N ATOM 275 CA THR A 21 4.590 8.821 -2.305 1.00 0.00 C ATOM 276 C THR A 21 3.801 8.354 -1.086 1.00 0.00 C ATOM 277 O THR A 21 3.031 9.118 -0.504 1.00 0.00 O ATOM 278 CB THR A 21 5.615 9.878 -1.890 1.00 0.00 C ATOM 279 OG1 THR A 21 4.971 11.008 -1.330 1.00 0.00 O ATOM 280 CG2 THR A 21 6.475 10.361 -3.037 1.00 0.00 C ATOM 0 H THR A 21 3.598 10.369 -3.314 1.00 0.00 H new ATOM 0 HA THR A 21 5.114 7.963 -2.726 1.00 0.00 H new ATOM 0 HB THR A 21 6.257 9.386 -1.159 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.148 10.725 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.180 11.109 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.024 9.520 -3.459 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.841 10.803 -3.806 1.00 0.00 H new ATOM 288 N GLY A 22 3.998 7.096 -0.705 1.00 0.00 N ATOM 289 CA GLY A 22 3.297 6.551 0.441 1.00 0.00 C ATOM 290 C GLY A 22 4.154 5.589 1.242 1.00 0.00 C ATOM 291 O GLY A 22 5.015 4.905 0.688 1.00 0.00 O ATOM 0 H GLY A 22 4.631 6.445 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.972 7.367 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.398 6.036 0.102 1.00 0.00 H new ATOM 295 N VAL A 23 3.918 5.536 2.549 1.00 0.00 N ATOM 296 CA VAL A 23 4.674 4.651 3.427 1.00 0.00 C ATOM 297 C VAL A 23 4.010 3.282 3.530 1.00 0.00 C ATOM 298 O VAL A 23 2.785 3.176 3.576 1.00 0.00 O ATOM 299 CB VAL A 23 4.814 5.247 4.840 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.769 4.413 5.680 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.281 6.692 4.766 1.00 0.00 C ATOM 0 H VAL A 23 3.209 6.096 3.023 1.00 0.00 H new ATOM 0 HA VAL A 23 5.665 4.540 2.987 1.00 0.00 H new ATOM 0 HB VAL A 23 3.835 5.230 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.855 4.850 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.387 3.395 5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.750 4.395 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.374 7.096 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.249 6.736 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.555 7.281 4.205 1.00 0.00 H new ATOM 311 N VAL A 24 4.828 2.235 3.564 1.00 0.00 N ATOM 312 CA VAL A 24 4.321 0.872 3.661 1.00 0.00 C ATOM 313 C VAL A 24 3.766 0.590 5.054 1.00 0.00 C ATOM 314 O VAL A 24 4.493 0.647 6.046 1.00 0.00 O ATOM 315 CB VAL A 24 5.418 -0.161 3.340 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.827 -1.559 3.250 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.135 0.207 2.050 1.00 0.00 C ATOM 0 H VAL A 24 5.845 2.305 3.526 1.00 0.00 H new ATOM 0 HA VAL A 24 3.520 0.780 2.927 1.00 0.00 H new ATOM 0 HB VAL A 24 6.147 -0.153 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.617 -2.274 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.364 -1.820 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.075 -1.586 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.907 -0.533 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.418 0.229 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.595 1.190 2.157 1.00 0.00 H new ATOM 327 N ARG A 25 2.474 0.285 5.120 1.00 0.00 N ATOM 328 CA ARG A 25 1.823 -0.006 6.391 1.00 0.00 C ATOM 329 C ARG A 25 1.564 -1.503 6.541 1.00 0.00 C ATOM 330 O ARG A 25 1.575 -2.037 7.650 1.00 0.00 O ATOM 331 CB ARG A 25 0.506 0.767 6.503 1.00 0.00 C ATOM 332 CG ARG A 25 0.624 2.056 7.298 1.00 0.00 C ATOM 333 CD ARG A 25 0.601 1.792 8.795 1.00 0.00 C ATOM 334 NE ARG A 25 0.628 3.030 9.571 1.00 0.00 N ATOM 335 CZ ARG A 25 0.277 3.109 10.852 1.00 0.00 C ATOM 336 NH1 ARG A 25 -0.126 2.027 11.506 1.00 0.00 N ATOM 337 NH2 ARG A 25 0.330 4.276 11.482 1.00 0.00 N ATOM 0 H ARG A 25 1.858 0.233 4.309 1.00 0.00 H new ATOM 0 HA ARG A 25 2.490 0.310 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.144 0.999 5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.242 0.128 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.550 2.565 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.195 2.724 7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.294 1.225 9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.457 1.175 9.067 1.00 0.00 H new ATOM 0 HE ARG A 25 0.934 3.883 9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.168 1.128 11.027 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.394 2.095 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.639 5.111 10.984 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.061 4.338 12.464 1.00 0.00 H new ATOM 351 N TYR A 26 1.334 -2.173 5.417 1.00 0.00 N ATOM 352 CA TYR A 26 1.075 -3.608 5.423 1.00 0.00 C ATOM 353 C TYR A 26 1.984 -4.331 4.433 1.00 0.00 C ATOM 354 O TYR A 26 2.250 -3.831 3.340 1.00 0.00 O ATOM 355 CB TYR A 26 -0.391 -3.885 5.081 1.00 0.00 C ATOM 356 CG TYR A 26 -0.861 -5.262 5.494 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.670 -5.721 6.791 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.493 -6.102 4.587 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.097 -6.978 7.173 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.923 -7.361 4.961 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.723 -7.795 6.255 1.00 0.00 C ATOM 362 OH TYR A 26 -2.149 -9.047 6.631 1.00 0.00 O ATOM 0 H TYR A 26 1.322 -1.746 4.491 1.00 0.00 H new ATOM 0 HA TYR A 26 1.286 -3.984 6.424 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.016 -3.136 5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.533 -3.769 4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.180 -5.085 7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.651 -5.766 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.941 -7.319 8.186 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.413 -8.002 4.243 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.128 -9.063 6.665 1.00 0.00 H new ATOM 372 N VAL A 27 2.457 -5.509 4.825 1.00 0.00 N ATOM 373 CA VAL A 27 3.337 -6.300 3.973 1.00 0.00 C ATOM 374 C VAL A 27 3.154 -7.792 4.230 1.00 0.00 C ATOM 375 O VAL A 27 3.634 -8.324 5.231 1.00 0.00 O ATOM 376 CB VAL A 27 4.815 -5.931 4.195 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.701 -6.628 3.174 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.003 -4.423 4.133 1.00 0.00 C ATOM 0 H VAL A 27 2.246 -5.937 5.727 1.00 0.00 H new ATOM 0 HA VAL A 27 3.065 -6.074 2.942 1.00 0.00 H new ATOM 0 HB VAL A 27 5.109 -6.271 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.742 -6.354 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.589 -7.708 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.408 -6.322 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.054 -4.180 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.690 -4.057 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.400 -3.949 4.907 1.00 0.00 H new ATOM 388 N GLY A 28 2.455 -8.462 3.319 1.00 0.00 N ATOM 389 CA GLY A 28 2.220 -9.886 3.465 1.00 0.00 C ATOM 390 C GLY A 28 1.361 -10.449 2.350 1.00 0.00 C ATOM 391 O GLY A 28 1.483 -10.040 1.196 1.00 0.00 O ATOM 0 H GLY A 28 2.047 -8.044 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.176 -10.409 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.736 -10.075 4.423 1.00 0.00 H new ATOM 395 N GLU A 29 0.492 -11.394 2.694 1.00 0.00 N ATOM 396 CA GLU A 29 -0.389 -12.015 1.713 1.00 0.00 C ATOM 397 C GLU A 29 -1.818 -11.501 1.861 1.00 0.00 C ATOM 398 O GLU A 29 -2.177 -10.922 2.886 1.00 0.00 O ATOM 399 CB GLU A 29 -0.365 -13.537 1.866 1.00 0.00 C ATOM 400 CG GLU A 29 1.036 -14.127 1.856 1.00 0.00 C ATOM 401 CD GLU A 29 1.185 -15.293 2.813 1.00 0.00 C ATOM 402 OE1 GLU A 29 0.594 -16.360 2.545 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.892 -15.139 3.831 1.00 0.00 O ATOM 0 H GLU A 29 0.379 -11.746 3.645 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.028 -11.750 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.858 -13.808 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.944 -13.984 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.280 -14.457 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.755 -13.351 2.120 1.00 0.00 H new ATOM 410 N THR A 30 -2.629 -11.716 0.830 1.00 0.00 N ATOM 411 CA THR A 30 -4.019 -11.275 0.845 1.00 0.00 C ATOM 412 C THR A 30 -4.968 -12.469 0.832 1.00 0.00 C ATOM 413 O THR A 30 -4.539 -13.615 0.701 1.00 0.00 O ATOM 414 CB THR A 30 -4.301 -10.371 -0.357 1.00 0.00 C ATOM 415 OG1 THR A 30 -3.634 -10.850 -1.511 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.872 -8.936 -0.140 1.00 0.00 C ATOM 0 H THR A 30 -2.347 -12.193 -0.026 1.00 0.00 H new ATOM 0 HA THR A 30 -4.186 -10.711 1.763 1.00 0.00 H new ATOM 0 HB THR A 30 -5.383 -10.393 -0.489 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.952 -10.203 -1.787 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.100 -8.349 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.407 -8.522 0.715 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.800 -8.902 0.052 1.00 0.00 H new ATOM 424 N ASP A 31 -6.261 -12.192 0.968 1.00 0.00 N ATOM 425 CA ASP A 31 -7.272 -13.244 0.972 1.00 0.00 C ATOM 426 C ASP A 31 -8.177 -13.137 -0.252 1.00 0.00 C ATOM 427 O ASP A 31 -8.651 -14.145 -0.775 1.00 0.00 O ATOM 428 CB ASP A 31 -8.109 -13.170 2.250 1.00 0.00 C ATOM 429 CG ASP A 31 -7.604 -14.110 3.326 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.447 -13.941 3.767 1.00 0.00 O ATOM 431 OD2 ASP A 31 -8.364 -15.015 3.729 1.00 0.00 O ATOM 0 H ASP A 31 -6.633 -11.249 1.077 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.760 -14.205 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.098 -12.148 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.146 -13.412 2.017 1.00 0.00 H new ATOM 436 N PHE A 32 -8.414 -11.909 -0.704 1.00 0.00 N ATOM 437 CA PHE A 32 -9.263 -11.673 -1.865 1.00 0.00 C ATOM 438 C PHE A 32 -8.541 -12.053 -3.155 1.00 0.00 C ATOM 439 O PHE A 32 -9.107 -12.723 -4.019 1.00 0.00 O ATOM 440 CB PHE A 32 -9.691 -10.205 -1.921 1.00 0.00 C ATOM 441 CG PHE A 32 -8.540 -9.248 -2.033 1.00 0.00 C ATOM 442 CD1 PHE A 32 -8.050 -8.874 -3.274 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.947 -8.721 -0.897 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.991 -7.992 -3.380 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.887 -7.840 -0.995 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.409 -7.475 -2.240 1.00 0.00 C ATOM 0 H PHE A 32 -8.030 -11.063 -0.283 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.149 -12.300 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.356 -10.061 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.264 -9.968 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.501 -9.276 -4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.318 -9.002 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.619 -7.708 -4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.433 -7.438 -0.101 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.581 -6.786 -2.321 1.00 0.00 H new ATOM 456 N ALA A 33 -7.292 -11.619 -3.277 1.00 0.00 N ATOM 457 CA ALA A 33 -6.494 -11.914 -4.462 1.00 0.00 C ATOM 458 C ALA A 33 -5.444 -12.982 -4.178 1.00 0.00 C ATOM 459 O ALA A 33 -4.923 -13.614 -5.097 1.00 0.00 O ATOM 460 CB ALA A 33 -5.831 -10.645 -4.979 1.00 0.00 C ATOM 0 H ALA A 33 -6.810 -11.062 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.165 -12.304 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.238 -10.879 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.597 -9.914 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.182 -10.233 -4.206 1.00 0.00 H new ATOM 466 N LYS A 34 -5.137 -13.181 -2.900 1.00 0.00 N ATOM 467 CA LYS A 34 -4.147 -14.176 -2.499 1.00 0.00 C ATOM 468 C LYS A 34 -2.783 -13.858 -3.103 1.00 0.00 C ATOM 469 O LYS A 34 -2.630 -12.883 -3.839 1.00 0.00 O ATOM 470 CB LYS A 34 -4.594 -15.574 -2.929 1.00 0.00 C ATOM 471 CG LYS A 34 -5.849 -16.057 -2.221 1.00 0.00 C ATOM 472 CD LYS A 34 -6.419 -17.302 -2.884 1.00 0.00 C ATOM 473 CE LYS A 34 -5.909 -18.572 -2.220 1.00 0.00 C ATOM 474 NZ LYS A 34 -4.996 -19.337 -3.114 1.00 0.00 N ATOM 0 H LYS A 34 -5.558 -12.668 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.060 -14.149 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.771 -15.575 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.785 -16.279 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.619 -16.272 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.598 -15.265 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.508 -17.276 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.149 -17.309 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.385 -18.315 -1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.755 -19.201 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.670 -20.195 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.503 -19.604 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.176 -18.746 -3.360 1.00 0.00 H new ATOM 488 N GLY A 35 -1.794 -14.688 -2.788 1.00 0.00 N ATOM 489 CA GLY A 35 -0.456 -14.479 -3.308 1.00 0.00 C ATOM 490 C GLY A 35 0.401 -13.640 -2.382 1.00 0.00 C ATOM 491 O GLY A 35 0.856 -14.118 -1.343 1.00 0.00 O ATOM 0 H GLY A 35 -1.896 -15.502 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.024 -15.445 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.520 -13.991 -4.281 1.00 0.00 H new ATOM 495 N GLU A 36 0.626 -12.386 -2.759 1.00 0.00 N ATOM 496 CA GLU A 36 1.435 -11.478 -1.955 1.00 0.00 C ATOM 497 C GLU A 36 1.265 -10.036 -2.423 1.00 0.00 C ATOM 498 O GLU A 36 1.672 -9.680 -3.528 1.00 0.00 O ATOM 499 CB GLU A 36 2.911 -11.882 -2.023 1.00 0.00 C ATOM 500 CG GLU A 36 3.491 -12.296 -0.680 1.00 0.00 C ATOM 501 CD GLU A 36 3.986 -13.729 -0.672 1.00 0.00 C ATOM 502 OE1 GLU A 36 4.521 -14.177 -1.708 1.00 0.00 O ATOM 503 OE2 GLU A 36 3.838 -14.404 0.369 1.00 0.00 O ATOM 0 H GLU A 36 0.259 -11.975 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 36 1.095 -11.545 -0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.021 -12.707 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.490 -11.047 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.315 -11.630 -0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.731 -12.174 0.092 1.00 0.00 H new ATOM 510 N TRP A 37 0.658 -9.211 -1.575 1.00 0.00 N ATOM 511 CA TRP A 37 0.432 -7.808 -1.902 1.00 0.00 C ATOM 512 C TRP A 37 1.022 -6.899 -0.829 1.00 0.00 C ATOM 513 O TRP A 37 1.512 -7.369 0.197 1.00 0.00 O ATOM 514 CB TRP A 37 -1.065 -7.534 -2.053 1.00 0.00 C ATOM 515 CG TRP A 37 -1.703 -8.313 -3.163 1.00 0.00 C ATOM 516 CD1 TRP A 37 -1.700 -9.669 -3.318 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.437 -7.783 -4.272 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.387 -10.015 -4.456 1.00 0.00 N ATOM 519 CE2 TRP A 37 -2.849 -8.875 -5.059 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.787 -6.491 -4.676 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.592 -8.713 -6.225 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.525 -6.332 -5.834 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.921 -7.438 -6.597 1.00 0.00 C ATOM 0 H TRP A 37 0.314 -9.490 -0.656 1.00 0.00 H new ATOM 0 HA TRP A 37 0.930 -7.595 -2.848 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.567 -7.773 -1.116 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.216 -6.470 -2.233 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.227 -10.368 -2.644 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.530 -10.966 -4.797 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.486 -5.633 -4.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.898 -9.564 -6.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.801 -5.339 -6.156 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.497 -7.281 -7.497 1.00 0.00 H new ATOM 534 N CYS A 38 0.972 -5.594 -1.076 1.00 0.00 N ATOM 535 CA CYS A 38 1.502 -4.618 -0.129 1.00 0.00 C ATOM 536 C CYS A 38 0.577 -3.410 -0.019 1.00 0.00 C ATOM 537 O CYS A 38 0.131 -2.862 -1.027 1.00 0.00 O ATOM 538 CB CYS A 38 2.900 -4.169 -0.558 1.00 0.00 C ATOM 539 SG CYS A 38 4.244 -5.055 0.264 1.00 0.00 S ATOM 0 H CYS A 38 0.571 -5.188 -1.921 1.00 0.00 H new ATOM 0 HA CYS A 38 1.565 -5.094 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.998 -4.301 -1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.005 -3.103 -0.357 1.00 0.00 H new ATOM 0 HG CYS A 38 3.842 -6.248 0.589 1.00 0.00 H new ATOM 545 N GLY A 39 0.294 -2.999 1.213 1.00 0.00 N ATOM 546 CA GLY A 39 -0.576 -1.859 1.433 1.00 0.00 C ATOM 547 C GLY A 39 0.198 -0.586 1.712 1.00 0.00 C ATOM 548 O GLY A 39 0.863 -0.470 2.741 1.00 0.00 O ATOM 0 H GLY A 39 0.652 -3.435 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.207 -1.712 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.240 -2.069 2.272 1.00 0.00 H new ATOM 552 N VAL A 40 0.111 0.371 0.794 1.00 0.00 N ATOM 553 CA VAL A 40 0.808 1.642 0.946 1.00 0.00 C ATOM 554 C VAL A 40 -0.149 2.746 1.383 1.00 0.00 C ATOM 555 O VAL A 40 -1.190 2.960 0.763 1.00 0.00 O ATOM 556 CB VAL A 40 1.496 2.065 -0.365 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.381 3.281 -0.137 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.302 0.911 -0.942 1.00 0.00 C ATOM 0 H VAL A 40 -0.436 0.290 -0.063 1.00 0.00 H new ATOM 0 HA VAL A 40 1.566 1.496 1.716 1.00 0.00 H new ATOM 0 HB VAL A 40 0.725 2.336 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.858 3.565 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.774 4.110 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.146 3.041 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.781 1.229 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.065 0.606 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.639 0.070 -1.146 1.00 0.00 H new ATOM 568 N GLU A 41 0.211 3.443 2.456 1.00 0.00 N ATOM 569 CA GLU A 41 -0.616 4.526 2.976 1.00 0.00 C ATOM 570 C GLU A 41 -0.131 5.876 2.459 1.00 0.00 C ATOM 571 O GLU A 41 0.899 6.387 2.901 1.00 0.00 O ATOM 572 CB GLU A 41 -0.602 4.516 4.505 1.00 0.00 C ATOM 573 CG GLU A 41 -1.628 5.448 5.129 1.00 0.00 C ATOM 574 CD GLU A 41 -1.065 6.237 6.295 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.147 6.537 6.280 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.837 6.556 7.224 1.00 0.00 O ATOM 0 H GLU A 41 1.069 3.277 2.982 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.637 4.370 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.786 3.500 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.392 4.798 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.994 6.139 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.484 4.865 5.469 1.00 0.00 H new ATOM 583 N LEU A 42 -0.878 6.448 1.521 1.00 0.00 N ATOM 584 CA LEU A 42 -0.523 7.740 0.944 1.00 0.00 C ATOM 585 C LEU A 42 -0.680 8.857 1.969 1.00 0.00 C ATOM 586 O LEU A 42 -1.283 8.664 3.025 1.00 0.00 O ATOM 587 CB LEU A 42 -1.393 8.029 -0.281 1.00 0.00 C ATOM 588 CG LEU A 42 -1.144 7.115 -1.482 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.125 7.427 -2.603 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.288 7.256 -1.971 1.00 0.00 C ATOM 0 H LEU A 42 -1.733 6.038 1.144 1.00 0.00 H new ATOM 0 HA LEU A 42 0.522 7.699 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.441 7.946 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.228 9.061 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.299 6.083 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.933 6.767 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.144 7.274 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.002 8.464 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.447 6.598 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.471 8.289 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.975 6.982 -1.170 1.00 0.00 H new ATOM 602 N ASP A 43 -0.134 10.026 1.652 1.00 0.00 N ATOM 603 CA ASP A 43 -0.213 11.176 2.546 1.00 0.00 C ATOM 604 C ASP A 43 -1.410 12.055 2.199 1.00 0.00 C ATOM 605 O ASP A 43 -1.989 12.703 3.071 1.00 0.00 O ATOM 606 CB ASP A 43 1.076 11.996 2.471 1.00 0.00 C ATOM 607 CG ASP A 43 2.288 11.214 2.940 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.482 11.099 4.167 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.043 10.716 2.077 1.00 0.00 O ATOM 0 H ASP A 43 0.368 10.202 0.782 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.341 10.805 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.235 12.325 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.968 12.893 3.080 1.00 0.00 H new ATOM 614 N GLU A 44 -1.776 12.072 0.922 1.00 0.00 N ATOM 615 CA GLU A 44 -2.906 12.871 0.460 1.00 0.00 C ATOM 616 C GLU A 44 -4.101 11.980 0.129 1.00 0.00 C ATOM 617 O GLU A 44 -3.932 10.840 -0.303 1.00 0.00 O ATOM 618 CB GLU A 44 -2.510 13.691 -0.768 1.00 0.00 C ATOM 619 CG GLU A 44 -1.781 14.982 -0.429 1.00 0.00 C ATOM 620 CD GLU A 44 -2.694 16.192 -0.453 1.00 0.00 C ATOM 621 OE1 GLU A 44 -3.696 16.164 -1.200 1.00 0.00 O ATOM 622 OE2 GLU A 44 -2.408 17.166 0.273 1.00 0.00 O ATOM 0 H GLU A 44 -1.307 11.542 0.188 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.192 13.550 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.874 13.083 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.407 13.929 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.330 14.891 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.967 15.132 -1.138 1.00 0.00 H new ATOM 629 N PRO A 45 -5.330 12.489 0.327 1.00 0.00 N ATOM 630 CA PRO A 45 -6.555 11.731 0.045 1.00 0.00 C ATOM 631 C PRO A 45 -6.607 11.231 -1.395 1.00 0.00 C ATOM 632 O PRO A 45 -7.184 11.880 -2.268 1.00 0.00 O ATOM 633 CB PRO A 45 -7.675 12.744 0.299 1.00 0.00 C ATOM 634 CG PRO A 45 -7.076 13.757 1.212 1.00 0.00 C ATOM 635 CD PRO A 45 -5.623 13.840 0.839 1.00 0.00 C ATOM 0 HA PRO A 45 -6.628 10.836 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.013 13.201 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.543 12.267 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.565 14.724 1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.195 13.462 2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.444 14.605 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.000 14.089 1.698 1.00 0.00 H new ATOM 643 N LEU A 46 -6.003 10.073 -1.637 1.00 0.00 N ATOM 644 CA LEU A 46 -5.981 9.485 -2.972 1.00 0.00 C ATOM 645 C LEU A 46 -6.046 7.963 -2.897 1.00 0.00 C ATOM 646 O LEU A 46 -5.517 7.266 -3.762 1.00 0.00 O ATOM 647 CB LEU A 46 -4.719 9.915 -3.722 1.00 0.00 C ATOM 648 CG LEU A 46 -4.567 11.424 -3.925 1.00 0.00 C ATOM 649 CD1 LEU A 46 -3.119 11.778 -4.224 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.478 11.904 -5.044 1.00 0.00 C ATOM 0 H LEU A 46 -5.522 9.522 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.857 9.843 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.849 9.548 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.712 9.430 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.860 11.928 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.030 12.855 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.489 11.468 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.799 11.265 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.358 12.979 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.216 11.394 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.515 11.684 -4.789 1.00 0.00 H new ATOM 662 N GLY A 47 -6.698 7.453 -1.857 1.00 0.00 N ATOM 663 CA GLY A 47 -6.819 6.016 -1.690 1.00 0.00 C ATOM 664 C GLY A 47 -8.242 5.528 -1.875 1.00 0.00 C ATOM 665 O GLY A 47 -9.196 6.228 -1.539 1.00 0.00 O ATOM 0 H GLY A 47 -7.144 8.009 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.170 5.514 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.469 5.738 -0.696 1.00 0.00 H new ATOM 669 N LYS A 48 -8.384 4.321 -2.413 1.00 0.00 N ATOM 670 CA LYS A 48 -9.701 3.736 -2.643 1.00 0.00 C ATOM 671 C LYS A 48 -10.306 3.229 -1.338 1.00 0.00 C ATOM 672 O LYS A 48 -11.524 3.231 -1.164 1.00 0.00 O ATOM 673 CB LYS A 48 -9.604 2.592 -3.653 1.00 0.00 C ATOM 674 CG LYS A 48 -8.739 1.434 -3.182 1.00 0.00 C ATOM 675 CD LYS A 48 -8.310 0.547 -4.341 1.00 0.00 C ATOM 676 CE LYS A 48 -8.761 -0.891 -4.142 1.00 0.00 C ATOM 677 NZ LYS A 48 -7.656 -1.757 -3.645 1.00 0.00 N ATOM 0 H LYS A 48 -7.604 3.729 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.351 4.512 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.607 2.222 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.201 2.978 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.856 1.822 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.291 0.840 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.727 0.935 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.225 0.578 -4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.589 -0.917 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.136 -1.287 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.005 -2.729 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.876 -1.753 -4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.314 -1.394 -2.732 1.00 0.00 H new ATOM 691 N ASN A 49 -9.445 2.794 -0.422 1.00 0.00 N ATOM 692 CA ASN A 49 -9.895 2.284 0.869 1.00 0.00 C ATOM 693 C ASN A 49 -8.980 2.761 1.991 1.00 0.00 C ATOM 694 O ASN A 49 -8.033 3.512 1.758 1.00 0.00 O ATOM 695 CB ASN A 49 -9.942 0.756 0.847 1.00 0.00 C ATOM 696 CG ASN A 49 -11.265 0.225 0.327 1.00 0.00 C ATOM 697 OD1 ASN A 49 -12.323 0.511 0.885 1.00 0.00 O ATOM 698 ND2 ASN A 49 -11.208 -0.555 -0.747 1.00 0.00 N ATOM 0 H ASN A 49 -8.433 2.785 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.898 2.669 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.132 0.379 0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.772 0.375 1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.065 -0.943 -1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.307 -0.766 -1.177 1.00 0.00 H new ATOM 705 N ASP A 50 -9.268 2.318 3.211 1.00 0.00 N ATOM 706 CA ASP A 50 -8.470 2.698 4.371 1.00 0.00 C ATOM 707 C ASP A 50 -7.694 1.502 4.914 1.00 0.00 C ATOM 708 O ASP A 50 -7.586 1.317 6.126 1.00 0.00 O ATOM 709 CB ASP A 50 -9.369 3.278 5.465 1.00 0.00 C ATOM 710 CG ASP A 50 -10.527 2.362 5.810 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.272 1.213 6.224 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.689 2.796 5.663 1.00 0.00 O ATOM 0 H ASP A 50 -10.048 1.696 3.422 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.755 3.458 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.775 3.460 6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.758 4.243 5.138 1.00 0.00 H new ATOM 717 N GLY A 51 -7.157 0.692 4.008 1.00 0.00 N ATOM 718 CA GLY A 51 -6.398 -0.476 4.416 1.00 0.00 C ATOM 719 C GLY A 51 -7.288 -1.650 4.774 1.00 0.00 C ATOM 720 O GLY A 51 -6.919 -2.491 5.592 1.00 0.00 O ATOM 0 H GLY A 51 -7.234 0.823 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.724 -0.767 3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.777 -0.220 5.274 1.00 0.00 H new ATOM 724 N ALA A 52 -8.466 -1.706 4.160 1.00 0.00 N ATOM 725 CA ALA A 52 -9.412 -2.784 4.417 1.00 0.00 C ATOM 726 C ALA A 52 -10.062 -3.263 3.124 1.00 0.00 C ATOM 727 O ALA A 52 -10.399 -2.462 2.252 1.00 0.00 O ATOM 728 CB ALA A 52 -10.475 -2.327 5.406 1.00 0.00 C ATOM 0 H ALA A 52 -8.787 -1.016 3.481 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.864 -3.621 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.176 -3.142 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.000 -2.039 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.012 -1.473 4.994 1.00 0.00 H new ATOM 734 N VAL A 53 -10.237 -4.575 3.007 1.00 0.00 N ATOM 735 CA VAL A 53 -10.847 -5.162 1.819 1.00 0.00 C ATOM 736 C VAL A 53 -12.045 -6.031 2.189 1.00 0.00 C ATOM 737 O VAL A 53 -11.899 -7.050 2.864 1.00 0.00 O ATOM 738 CB VAL A 53 -9.835 -6.012 1.029 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.427 -6.450 -0.301 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.540 -5.241 0.818 1.00 0.00 C ATOM 0 H VAL A 53 -9.965 -5.252 3.720 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.181 -4.334 1.193 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.608 -6.906 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.697 -7.049 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.323 -7.044 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.686 -5.571 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.837 -5.857 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.747 -4.328 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.107 -4.985 1.785 1.00 0.00 H new ATOM 750 N ALA A 54 -13.227 -5.622 1.741 1.00 0.00 N ATOM 751 CA ALA A 54 -14.449 -6.364 2.024 1.00 0.00 C ATOM 752 C ALA A 54 -14.693 -6.467 3.526 1.00 0.00 C ATOM 753 O ALA A 54 -15.260 -7.448 4.007 1.00 0.00 O ATOM 754 CB ALA A 54 -14.381 -7.750 1.403 1.00 0.00 C ATOM 0 H ALA A 54 -13.364 -4.781 1.181 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.285 -5.821 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.300 -8.293 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.262 -7.659 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.532 -8.293 1.817 1.00 0.00 H new ATOM 760 N GLY A 55 -14.260 -5.448 4.262 1.00 0.00 N ATOM 761 CA GLY A 55 -14.440 -5.445 5.701 1.00 0.00 C ATOM 762 C GLY A 55 -13.191 -5.875 6.443 1.00 0.00 C ATOM 763 O GLY A 55 -12.967 -5.468 7.584 1.00 0.00 O ATOM 0 H GLY A 55 -13.788 -4.625 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.725 -4.445 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.262 -6.112 5.963 1.00 0.00 H new ATOM 767 N THR A 56 -12.375 -6.700 5.796 1.00 0.00 N ATOM 768 CA THR A 56 -11.140 -7.186 6.402 1.00 0.00 C ATOM 769 C THR A 56 -10.097 -6.075 6.478 1.00 0.00 C ATOM 770 O THR A 56 -9.490 -5.712 5.470 1.00 0.00 O ATOM 771 CB THR A 56 -10.587 -8.367 5.604 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.641 -9.155 5.079 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.697 -9.278 6.423 1.00 0.00 C ATOM 0 H THR A 56 -12.546 -7.046 4.852 1.00 0.00 H new ATOM 0 HA THR A 56 -11.367 -7.516 7.416 1.00 0.00 H new ATOM 0 HB THR A 56 -9.991 -7.923 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.267 -9.905 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.338 -10.095 5.797 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.847 -8.711 6.802 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.264 -9.684 7.260 1.00 0.00 H new ATOM 781 N ARG A 57 -9.896 -5.540 7.677 1.00 0.00 N ATOM 782 CA ARG A 57 -8.926 -4.471 7.884 1.00 0.00 C ATOM 783 C ARG A 57 -7.692 -4.991 8.615 1.00 0.00 C ATOM 784 O ARG A 57 -7.727 -5.229 9.822 1.00 0.00 O ATOM 785 CB ARG A 57 -9.562 -3.326 8.676 1.00 0.00 C ATOM 786 CG ARG A 57 -8.610 -2.175 8.958 1.00 0.00 C ATOM 787 CD ARG A 57 -9.300 -0.828 8.810 1.00 0.00 C ATOM 788 NE ARG A 57 -9.729 -0.285 10.097 1.00 0.00 N ATOM 789 CZ ARG A 57 -10.906 -0.548 10.664 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.777 -1.352 10.067 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.213 -0.003 11.833 1.00 0.00 N ATOM 0 H ARG A 57 -10.392 -5.829 8.520 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.615 -4.099 6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.422 -2.947 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.938 -3.715 9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.211 -2.271 9.968 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.763 -2.227 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.621 -0.124 8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.165 -0.934 8.156 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.087 0.334 10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.548 -1.774 9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.676 -1.548 10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.549 0.617 12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.113 -0.203 12.268 1.00 0.00 H new ATOM 805 N TYR A 58 -6.603 -5.166 7.873 1.00 0.00 N ATOM 806 CA TYR A 58 -5.357 -5.659 8.448 1.00 0.00 C ATOM 807 C TYR A 58 -4.662 -4.570 9.259 1.00 0.00 C ATOM 808 O TYR A 58 -4.180 -4.818 10.364 1.00 0.00 O ATOM 809 CB TYR A 58 -4.424 -6.161 7.344 1.00 0.00 C ATOM 810 CG TYR A 58 -5.115 -7.019 6.309 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.324 -8.375 6.529 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.560 -6.474 5.111 1.00 0.00 C ATOM 813 CE1 TYR A 58 -5.955 -9.163 5.585 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.193 -7.255 4.162 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.387 -8.598 4.404 1.00 0.00 C ATOM 816 OH TYR A 58 -7.016 -9.380 3.462 1.00 0.00 O ATOM 0 H TYR A 58 -6.558 -4.974 6.872 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.598 -6.486 9.116 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.969 -5.304 6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.615 -6.734 7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.988 -8.821 7.453 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.409 -5.422 4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.109 -10.216 5.772 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.534 -6.815 3.236 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.259 -8.829 2.689 1.00 0.00 H new ATOM 826 N PHE A 59 -4.614 -3.364 8.703 1.00 0.00 N ATOM 827 CA PHE A 59 -3.976 -2.238 9.375 1.00 0.00 C ATOM 828 C PHE A 59 -4.929 -1.050 9.475 1.00 0.00 C ATOM 829 O PHE A 59 -5.574 -0.675 8.495 1.00 0.00 O ATOM 830 CB PHE A 59 -2.704 -1.826 8.633 1.00 0.00 C ATOM 831 CG PHE A 59 -2.945 -1.414 7.208 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.284 -2.354 6.248 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.833 -0.086 6.828 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.507 -1.979 4.937 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.054 0.297 5.519 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.391 -0.651 4.573 1.00 0.00 C ATOM 0 H PHE A 59 -5.009 -3.141 7.789 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.712 -2.554 10.384 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.234 -1.000 9.167 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.999 -2.657 8.648 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.375 -3.393 6.528 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.570 0.659 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.771 -2.722 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.963 1.335 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.564 -0.355 3.549 1.00 0.00 H new ATOM 846 N GLN A 60 -5.012 -0.464 10.665 1.00 0.00 N ATOM 847 CA GLN A 60 -5.885 0.682 10.894 1.00 0.00 C ATOM 848 C GLN A 60 -5.392 1.904 10.127 1.00 0.00 C ATOM 849 O GLN A 60 -4.211 2.246 10.176 1.00 0.00 O ATOM 850 CB GLN A 60 -5.959 0.999 12.390 1.00 0.00 C ATOM 851 CG GLN A 60 -6.877 2.165 12.720 1.00 0.00 C ATOM 852 CD GLN A 60 -8.314 1.911 12.307 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.881 0.860 12.604 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.910 2.876 11.616 1.00 0.00 N ATOM 0 H GLN A 60 -4.486 -0.764 11.486 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.881 0.428 10.532 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.304 0.113 12.924 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.957 1.222 12.756 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.840 2.360 13.792 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.512 3.062 12.220 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.402 3.731 11.392 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.876 2.762 11.309 1.00 0.00 H new ATOM 863 N CYS A 61 -6.306 2.560 9.419 1.00 0.00 N ATOM 864 CA CYS A 61 -5.964 3.745 8.641 1.00 0.00 C ATOM 865 C CYS A 61 -7.194 4.619 8.410 1.00 0.00 C ATOM 866 O CYS A 61 -8.325 4.133 8.437 1.00 0.00 O ATOM 867 CB CYS A 61 -5.352 3.340 7.298 1.00 0.00 C ATOM 868 SG CYS A 61 -3.547 3.224 7.315 1.00 0.00 S ATOM 0 H CYS A 61 -7.289 2.291 9.368 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.232 4.322 9.207 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.765 2.377 6.998 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.652 4.064 6.541 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.182 2.069 6.843 1.00 0.00 H new ATOM 874 N PRO A 62 -6.988 5.928 8.180 1.00 0.00 N ATOM 875 CA PRO A 62 -8.087 6.869 7.944 1.00 0.00 C ATOM 876 C PRO A 62 -8.791 6.620 6.613 1.00 0.00 C ATOM 877 O PRO A 62 -8.189 6.105 5.671 1.00 0.00 O ATOM 878 CB PRO A 62 -7.393 8.235 7.934 1.00 0.00 C ATOM 879 CG PRO A 62 -5.984 7.941 7.551 1.00 0.00 C ATOM 880 CD PRO A 62 -5.671 6.589 8.132 1.00 0.00 C ATOM 0 HA PRO A 62 -8.867 6.778 8.699 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.864 8.913 7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.446 8.713 8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.867 7.937 6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.307 8.700 7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.966 6.037 7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.225 6.670 9.123 1.00 0.00 H new ATOM 888 N PRO A 63 -10.082 6.982 6.518 1.00 0.00 N ATOM 889 CA PRO A 63 -10.867 6.793 5.293 1.00 0.00 C ATOM 890 C PRO A 63 -10.188 7.401 4.070 1.00 0.00 C ATOM 891 O PRO A 63 -9.749 8.549 4.097 1.00 0.00 O ATOM 892 CB PRO A 63 -12.179 7.526 5.592 1.00 0.00 C ATOM 893 CG PRO A 63 -12.286 7.520 7.078 1.00 0.00 C ATOM 894 CD PRO A 63 -10.878 7.603 7.594 1.00 0.00 C ATOM 0 HA PRO A 63 -10.997 5.738 5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.162 8.543 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.028 7.021 5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.881 8.363 7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.778 6.613 7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.576 8.635 7.773 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.764 7.069 8.537 1.00 0.00 H new ATOM 902 N LYS A 64 -10.107 6.620 2.996 1.00 0.00 N ATOM 903 CA LYS A 64 -9.482 7.080 1.761 1.00 0.00 C ATOM 904 C LYS A 64 -8.024 7.461 1.998 1.00 0.00 C ATOM 905 O LYS A 64 -7.674 8.642 2.007 1.00 0.00 O ATOM 906 CB LYS A 64 -10.250 8.275 1.191 1.00 0.00 C ATOM 907 CG LYS A 64 -11.709 7.972 0.890 1.00 0.00 C ATOM 908 CD LYS A 64 -11.879 7.384 -0.502 1.00 0.00 C ATOM 909 CE LYS A 64 -11.881 5.865 -0.467 1.00 0.00 C ATOM 910 NZ LYS A 64 -13.254 5.315 -0.291 1.00 0.00 N ATOM 0 H LYS A 64 -10.466 5.666 2.957 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.511 6.262 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.198 9.102 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.760 8.608 0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.097 7.274 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.297 8.886 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.813 7.740 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.073 7.733 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.452 5.480 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.245 5.520 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.254 4.301 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.556 5.444 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.912 5.815 -0.922 1.00 0.00 H new ATOM 924 N PHE A 65 -7.177 6.455 2.188 1.00 0.00 N ATOM 925 CA PHE A 65 -5.757 6.685 2.424 1.00 0.00 C ATOM 926 C PHE A 65 -4.940 5.439 2.093 1.00 0.00 C ATOM 927 O PHE A 65 -3.931 5.515 1.393 1.00 0.00 O ATOM 928 CB PHE A 65 -5.520 7.095 3.879 1.00 0.00 C ATOM 929 CG PHE A 65 -5.527 8.583 4.091 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.380 9.331 3.888 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.684 9.232 4.493 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.384 10.700 4.081 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.695 10.601 4.688 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.543 11.334 4.482 1.00 0.00 C ATOM 0 H PHE A 65 -7.450 5.472 2.183 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.432 7.493 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.289 6.643 4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.562 6.693 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.471 8.839 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.587 8.662 4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.483 11.272 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.603 11.096 5.001 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.549 12.403 4.635 1.00 0.00 H new ATOM 944 N GLY A 66 -5.385 4.295 2.602 1.00 0.00 N ATOM 945 CA GLY A 66 -4.683 3.051 2.349 1.00 0.00 C ATOM 946 C GLY A 66 -4.991 2.479 0.979 1.00 0.00 C ATOM 947 O GLY A 66 -6.155 2.347 0.602 1.00 0.00 O ATOM 0 H GLY A 66 -6.218 4.207 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.610 3.219 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.955 2.322 3.113 1.00 0.00 H new ATOM 951 N LEU A 67 -3.945 2.140 0.232 1.00 0.00 N ATOM 952 CA LEU A 67 -4.109 1.579 -1.105 1.00 0.00 C ATOM 953 C LEU A 67 -3.459 0.203 -1.201 1.00 0.00 C ATOM 954 O LEU A 67 -2.328 0.008 -0.755 1.00 0.00 O ATOM 955 CB LEU A 67 -3.504 2.517 -2.152 1.00 0.00 C ATOM 956 CG LEU A 67 -3.858 2.184 -3.602 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.203 2.788 -3.976 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.769 2.678 -4.543 1.00 0.00 C ATOM 0 H LEU A 67 -2.975 2.244 0.530 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.176 1.470 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.832 3.534 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.419 2.503 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.931 1.101 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.438 2.540 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.977 2.386 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.159 3.871 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.037 2.433 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.665 3.758 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.824 2.197 -4.290 1.00 0.00 H new ATOM 970 N PHE A 68 -4.179 -0.748 -1.787 1.00 0.00 N ATOM 971 CA PHE A 68 -3.672 -2.105 -1.943 1.00 0.00 C ATOM 972 C PHE A 68 -3.168 -2.339 -3.363 1.00 0.00 C ATOM 973 O PHE A 68 -3.957 -2.441 -4.303 1.00 0.00 O ATOM 974 CB PHE A 68 -4.763 -3.122 -1.603 1.00 0.00 C ATOM 975 CG PHE A 68 -5.034 -3.242 -0.130 1.00 0.00 C ATOM 976 CD1 PHE A 68 -4.090 -3.798 0.718 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.233 -2.799 0.406 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.336 -3.910 2.073 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.485 -2.909 1.760 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.536 -3.466 2.595 1.00 0.00 C ATOM 0 H PHE A 68 -5.116 -0.603 -2.162 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.837 -2.234 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.684 -2.838 -2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.472 -4.098 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.151 -4.148 0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.979 -2.363 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.591 -4.344 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.423 -2.560 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.731 -3.554 3.653 1.00 0.00 H new ATOM 990 N ALA A 69 -1.851 -2.425 -3.512 1.00 0.00 N ATOM 991 CA ALA A 69 -1.242 -2.648 -4.817 1.00 0.00 C ATOM 992 C ALA A 69 -0.318 -3.864 -4.793 1.00 0.00 C ATOM 993 O ALA A 69 0.338 -4.133 -3.786 1.00 0.00 O ATOM 994 CB ALA A 69 -0.476 -1.409 -5.259 1.00 0.00 C ATOM 0 H ALA A 69 -1.184 -2.344 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.039 -2.845 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.026 -1.589 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.160 -0.563 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.307 -1.187 -4.534 1.00 0.00 H new ATOM 1000 N PRO A 70 -0.251 -4.616 -5.906 1.00 0.00 N ATOM 1001 CA PRO A 70 0.600 -5.805 -6.003 1.00 0.00 C ATOM 1002 C PRO A 70 2.048 -5.511 -5.624 1.00 0.00 C ATOM 1003 O PRO A 70 2.546 -4.408 -5.847 1.00 0.00 O ATOM 1004 CB PRO A 70 0.503 -6.196 -7.479 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.798 -5.634 -7.936 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.998 -4.366 -7.154 1.00 0.00 C ATOM 0 HA PRO A 70 0.279 -6.592 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.334 -5.786 -8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.532 -7.278 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.782 -5.433 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.612 -6.336 -7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.610 -3.499 -7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.053 -4.175 -6.960 1.00 0.00 H new ATOM 1014 N ILE A 71 2.719 -6.504 -5.048 1.00 0.00 N ATOM 1015 CA ILE A 71 4.109 -6.350 -4.637 1.00 0.00 C ATOM 1016 C ILE A 71 4.996 -5.983 -5.825 1.00 0.00 C ATOM 1017 O ILE A 71 5.823 -5.075 -5.738 1.00 0.00 O ATOM 1018 CB ILE A 71 4.647 -7.637 -3.977 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.070 -7.419 -3.458 1.00 0.00 C ATOM 1020 CG2 ILE A 71 4.604 -8.799 -4.960 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.147 -7.260 -1.955 1.00 0.00 C ATOM 0 H ILE A 71 2.322 -7.424 -4.856 1.00 0.00 H new ATOM 0 HA ILE A 71 4.137 -5.542 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 71 4.008 -7.883 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.691 -8.263 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.489 -6.531 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.987 -9.698 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.575 -8.968 -5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.219 -8.564 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.185 -7.109 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.553 -6.399 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.759 -8.158 -1.474 1.00 0.00 H new ATOM 1033 N HIS A 72 4.816 -6.694 -6.934 1.00 0.00 N ATOM 1034 CA HIS A 72 5.601 -6.440 -8.138 1.00 0.00 C ATOM 1035 C HIS A 72 5.298 -5.057 -8.714 1.00 0.00 C ATOM 1036 O HIS A 72 6.062 -4.536 -9.526 1.00 0.00 O ATOM 1037 CB HIS A 72 5.332 -7.517 -9.191 1.00 0.00 C ATOM 1038 CG HIS A 72 3.880 -7.837 -9.374 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.180 -8.715 -8.576 1.00 0.00 N ATOM 1040 CD2 HIS A 72 2.992 -7.378 -10.292 1.00 0.00 C ATOM 1041 CE1 HIS A 72 1.918 -8.762 -9.025 1.00 0.00 C ATOM 1042 NE2 HIS A 72 1.752 -7.968 -10.064 1.00 0.00 N ATOM 0 H HIS A 72 4.136 -7.449 -7.024 1.00 0.00 H new ATOM 0 HA HIS A 72 6.655 -6.471 -7.861 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.745 -7.190 -10.145 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.862 -8.427 -8.910 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.212 -6.668 -11.075 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.138 -9.371 -8.592 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.892 -7.817 -10.592 1.00 0.00 H new ATOM 1050 N LYS A 73 4.184 -4.466 -8.289 1.00 0.00 N ATOM 1051 CA LYS A 73 3.793 -3.144 -8.767 1.00 0.00 C ATOM 1052 C LYS A 73 4.178 -2.061 -7.762 1.00 0.00 C ATOM 1053 O LYS A 73 3.606 -0.970 -7.765 1.00 0.00 O ATOM 1054 CB LYS A 73 2.286 -3.097 -9.028 1.00 0.00 C ATOM 1055 CG LYS A 73 1.818 -4.098 -10.072 1.00 0.00 C ATOM 1056 CD LYS A 73 1.976 -3.550 -11.481 1.00 0.00 C ATOM 1057 CE LYS A 73 2.073 -4.668 -12.506 1.00 0.00 C ATOM 1058 NZ LYS A 73 1.775 -4.186 -13.884 1.00 0.00 N ATOM 0 H LYS A 73 3.539 -4.881 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 73 4.325 -2.954 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.758 -3.286 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.013 -2.093 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.389 -5.021 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.772 -4.349 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.128 -2.908 -11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.870 -2.929 -11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.074 -5.098 -12.480 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.377 -5.464 -12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.852 -4.978 -14.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.810 -3.799 -13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.455 -3.444 -14.147 1.00 0.00 H new ATOM 1072 N VAL A 74 5.150 -2.363 -6.906 1.00 0.00 N ATOM 1073 CA VAL A 74 5.605 -1.409 -5.901 1.00 0.00 C ATOM 1074 C VAL A 74 7.049 -0.991 -6.155 1.00 0.00 C ATOM 1075 O VAL A 74 7.868 -1.792 -6.606 1.00 0.00 O ATOM 1076 CB VAL A 74 5.495 -1.994 -4.480 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.804 -0.928 -3.438 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.114 -2.586 -4.252 1.00 0.00 C ATOM 0 H VAL A 74 5.637 -3.259 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 74 4.957 -0.536 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 74 6.229 -2.793 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.721 -1.359 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.817 -0.554 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.095 -0.106 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.055 -2.994 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.360 -1.808 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.935 -3.381 -4.976 1.00 0.00 H new ATOM 1088 N ILE A 75 7.355 0.269 -5.862 1.00 0.00 N ATOM 1089 CA ILE A 75 8.701 0.794 -6.058 1.00 0.00 C ATOM 1090 C ILE A 75 9.227 1.442 -4.782 1.00 0.00 C ATOM 1091 O ILE A 75 8.667 2.424 -4.295 1.00 0.00 O ATOM 1092 CB ILE A 75 8.740 1.829 -7.200 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.048 1.275 -8.448 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.177 2.219 -7.512 1.00 0.00 C ATOM 1095 CD1 ILE A 75 7.038 2.228 -9.052 1.00 0.00 C ATOM 0 H ILE A 75 6.689 0.945 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 75 9.336 -0.051 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 75 8.203 2.722 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.803 1.036 -9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.547 0.342 -8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.188 2.950 -8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.637 2.652 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.736 1.334 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.587 1.770 -9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.262 2.448 -8.319 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.537 3.153 -9.340 1.00 0.00 H new ATOM 1107 N ARG A 76 10.307 0.885 -4.244 1.00 0.00 N ATOM 1108 CA ARG A 76 10.909 1.408 -3.022 1.00 0.00 C ATOM 1109 C ARG A 76 11.748 2.648 -3.316 1.00 0.00 C ATOM 1110 O ARG A 76 12.173 2.868 -4.451 1.00 0.00 O ATOM 1111 CB ARG A 76 11.776 0.336 -2.358 1.00 0.00 C ATOM 1112 CG ARG A 76 11.670 0.322 -0.842 1.00 0.00 C ATOM 1113 CD ARG A 76 12.441 -0.842 -0.241 1.00 0.00 C ATOM 1114 NE ARG A 76 13.881 -0.708 -0.446 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.653 0.129 0.242 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.129 0.908 1.181 1.00 0.00 N ATOM 1117 NH2 ARG A 76 15.955 0.187 -0.006 1.00 0.00 N ATOM 0 H ARG A 76 10.783 0.072 -4.634 1.00 0.00 H new ATOM 0 HA ARG A 76 10.105 1.689 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.488 -0.642 -2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.817 0.496 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.054 1.260 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.622 0.255 -0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.231 -0.903 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.096 -1.775 -0.688 1.00 0.00 H new ATOM 0 HE ARG A 76 14.321 -1.290 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.129 0.867 1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.726 1.548 1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.364 -0.410 -0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.547 0.829 0.522 1.00 0.00 H new ATOM 1131 N ILE A 77 11.981 3.455 -2.286 1.00 0.00 N ATOM 1132 CA ILE A 77 12.768 4.674 -2.432 1.00 0.00 C ATOM 1133 C ILE A 77 14.055 4.596 -1.620 1.00 0.00 C ATOM 1134 O ILE A 77 15.152 4.755 -2.157 1.00 0.00 O ATOM 1135 CB ILE A 77 11.970 5.916 -1.991 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.595 5.932 -2.659 1.00 0.00 C ATOM 1137 CG2 ILE A 77 12.740 7.186 -2.319 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.575 6.773 -1.921 1.00 0.00 C ATOM 0 H ILE A 77 11.636 3.287 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 77 13.013 4.767 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 77 11.827 5.871 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.698 6.310 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.225 4.910 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 77 12.162 8.054 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 77 13.697 7.176 -1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.913 7.239 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.623 6.739 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.443 6.382 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.924 7.804 -1.868 1.00 0.00 H new ATOM 1150 N GLY A 78 13.916 4.350 -0.322 1.00 0.00 N ATOM 1151 CA GLY A 78 15.076 4.255 0.545 1.00 0.00 C ATOM 1152 C GLY A 78 15.769 5.591 0.734 1.00 0.00 C ATOM 1153 O GLY A 78 15.701 6.186 1.810 1.00 0.00 O ATOM 0 H GLY A 78 13.020 4.215 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.769 3.868 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.782 3.539 0.125 1.00 0.00 H new ATOM 1157 N SER A 79 16.434 6.064 -0.315 1.00 0.00 N ATOM 1158 CA SER A 79 17.141 7.338 -0.262 1.00 0.00 C ATOM 1159 C SER A 79 16.636 8.283 -1.347 1.00 0.00 C ATOM 1160 O SER A 79 16.375 9.459 -1.089 1.00 0.00 O ATOM 1161 CB SER A 79 18.646 7.118 -0.421 1.00 0.00 C ATOM 1162 OG SER A 79 19.262 6.880 0.832 1.00 0.00 O ATOM 0 H SER A 79 16.498 5.584 -1.213 1.00 0.00 H new ATOM 0 HA SER A 79 16.949 7.792 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.825 6.272 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.097 7.992 -0.891 1.00 0.00 H new ATOM 0 HG SER A 79 20.223 6.741 0.703 1.00 0.00 H new ATOM 1168 N GLY A 80 16.500 7.762 -2.562 1.00 0.00 N ATOM 1169 CA GLY A 80 16.025 8.572 -3.668 1.00 0.00 C ATOM 1170 C GLY A 80 15.767 7.750 -4.918 1.00 0.00 C ATOM 1171 O GLY A 80 16.460 6.764 -5.168 1.00 0.00 O ATOM 0 H GLY A 80 16.710 6.793 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.106 9.080 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.760 9.346 -3.890 1.00 0.00 H new ATOM 1175 N PRO A 81 14.766 8.134 -5.731 1.00 0.00 N ATOM 1176 CA PRO A 81 14.431 7.413 -6.963 1.00 0.00 C ATOM 1177 C PRO A 81 15.639 7.243 -7.880 1.00 0.00 C ATOM 1178 O PRO A 81 16.764 7.571 -7.507 1.00 0.00 O ATOM 1179 CB PRO A 81 13.379 8.305 -7.627 1.00 0.00 C ATOM 1180 CG PRO A 81 12.780 9.084 -6.509 1.00 0.00 C ATOM 1181 CD PRO A 81 13.886 9.297 -5.514 1.00 0.00 C ATOM 0 HA PRO A 81 14.081 6.401 -6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.830 8.963 -8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.625 7.710 -8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.386 10.036 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.948 8.543 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.410 10.236 -5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.507 9.330 -4.492 1.00 0.00 H new ATOM 1189 N SER A 82 15.395 6.727 -9.080 1.00 0.00 N ATOM 1190 CA SER A 82 16.462 6.515 -10.050 1.00 0.00 C ATOM 1191 C SER A 82 16.794 7.809 -10.787 1.00 0.00 C ATOM 1192 O SER A 82 15.948 8.694 -10.919 1.00 0.00 O ATOM 1193 CB SER A 82 16.060 5.432 -11.054 1.00 0.00 C ATOM 1194 OG SER A 82 14.652 5.375 -11.207 1.00 0.00 O ATOM 0 H SER A 82 14.469 6.448 -9.403 1.00 0.00 H new ATOM 0 HA SER A 82 17.350 6.188 -9.509 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.526 5.635 -12.018 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.432 4.464 -10.718 1.00 0.00 H new ATOM 0 HG SER A 82 14.421 4.677 -11.855 1.00 0.00 H new ATOM 1200 N SER A 83 18.030 7.912 -11.265 1.00 0.00 N ATOM 1201 CA SER A 83 18.472 9.099 -11.988 1.00 0.00 C ATOM 1202 C SER A 83 17.736 9.231 -13.318 1.00 0.00 C ATOM 1203 O SER A 83 17.580 8.256 -14.051 1.00 0.00 O ATOM 1204 CB SER A 83 19.981 9.040 -12.231 1.00 0.00 C ATOM 1205 OG SER A 83 20.438 10.211 -12.885 1.00 0.00 O ATOM 0 H SER A 83 18.742 7.189 -11.165 1.00 0.00 H new ATOM 0 HA SER A 83 18.243 9.973 -11.378 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.501 8.924 -11.280 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.221 8.165 -12.835 1.00 0.00 H new ATOM 0 HG SER A 83 21.406 10.150 -13.027 1.00 0.00 H new ATOM 1211 N GLY A 84 17.287 10.444 -13.621 1.00 0.00 N ATOM 1212 CA GLY A 84 16.575 10.683 -14.862 1.00 0.00 C ATOM 1213 C GLY A 84 16.333 12.156 -15.119 1.00 0.00 C ATOM 1214 O GLY A 84 16.770 12.653 -16.179 1.00 0.00 O ATOM 1215 OXT GLY A 84 15.708 12.815 -14.262 1.00 0.00 O ATOM 0 H GLY A 84 17.404 11.266 -13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.145 10.262 -15.690 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.619 10.161 -14.835 1.00 0.00 H new TER 1219 GLY A 84