USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 0.995 K(o=0.97,f=-0.0053) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0248 X(o=0.97,f=1) USER MOD Single : A 1 SER N :NH3+ -142:sc= 0.0223 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0996 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00577 USER MOD Single : A 22 ASN : amide:sc= 0.00669 K(o=0.0067,f=-1.7!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 1.99 K(o=2,f=-7.1!) USER MOD Single : A 33 TYR OH : rot 20:sc= 0.254 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.308 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.6 USER MOD Single : A 61 MET CE :methyl 174:sc= 0 (180deg=-0.0822) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -145:sc= 2.51 (180deg=1.03) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.225 2.150 -3.263 1.00 0.00 N ATOM 2 CA SER A 1 -15.775 1.846 -3.207 1.00 0.00 C ATOM 3 C SER A 1 -15.010 2.490 -4.368 1.00 0.00 C ATOM 4 O SER A 1 -14.269 3.443 -4.139 1.00 0.00 O ATOM 5 CB SER A 1 -15.526 0.333 -3.133 1.00 0.00 C ATOM 6 OG SER A 1 -16.221 -0.326 -4.182 1.00 0.00 O ATOM 0 H1 SER A 1 -17.585 2.302 -2.299 1.00 0.00 H new ATOM 0 H2 SER A 1 -17.378 3.009 -3.829 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.730 1.353 -3.700 1.00 0.00 H new ATOM 0 HA SER A 1 -15.386 2.288 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.458 0.128 -3.208 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.857 -0.052 -2.168 1.00 0.00 H new ATOM 0 HG SER A 1 -16.056 -1.290 -4.129 1.00 0.00 H new ATOM 14 N MET A 2 -15.195 2.013 -5.610 1.00 0.00 N ATOM 15 CA MET A 2 -14.597 2.471 -6.889 1.00 0.00 C ATOM 16 C MET A 2 -13.056 2.424 -7.023 1.00 0.00 C ATOM 17 O MET A 2 -12.562 2.274 -8.141 1.00 0.00 O ATOM 18 CB MET A 2 -15.144 3.855 -7.287 1.00 0.00 C ATOM 19 CG MET A 2 -16.660 3.850 -7.513 1.00 0.00 C ATOM 20 SD MET A 2 -17.327 5.445 -8.066 1.00 0.00 S ATOM 21 CE MET A 2 -19.077 4.999 -8.233 1.00 0.00 C ATOM 0 H MET A 2 -15.823 1.225 -5.766 1.00 0.00 H new ATOM 0 HA MET A 2 -14.922 1.707 -7.595 1.00 0.00 H new ATOM 0 HB2 MET A 2 -14.900 4.576 -6.507 1.00 0.00 H new ATOM 0 HB3 MET A 2 -14.646 4.190 -8.197 1.00 0.00 H new ATOM 0 HG2 MET A 2 -16.904 3.089 -8.254 1.00 0.00 H new ATOM 0 HG3 MET A 2 -17.155 3.562 -6.585 1.00 0.00 H new ATOM 0 HE1 MET A 2 -19.644 5.868 -8.568 1.00 0.00 H new ATOM 0 HE2 MET A 2 -19.180 4.196 -8.962 1.00 0.00 H new ATOM 0 HE3 MET A 2 -19.461 4.665 -7.269 1.00 0.00 H new ATOM 31 N ALA A 3 -12.294 2.517 -5.925 1.00 0.00 N ATOM 32 CA ALA A 3 -10.823 2.485 -5.878 1.00 0.00 C ATOM 33 C ALA A 3 -10.114 3.517 -6.794 1.00 0.00 C ATOM 34 O ALA A 3 -8.999 3.289 -7.274 1.00 0.00 O ATOM 35 CB ALA A 3 -10.339 1.035 -6.049 1.00 0.00 C ATOM 0 H ALA A 3 -12.706 2.622 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.517 2.829 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.250 1.009 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.743 0.420 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.681 0.648 -7.009 1.00 0.00 H new ATOM 41 N ASP A 4 -10.759 4.661 -7.046 1.00 0.00 N ATOM 42 CA ASP A 4 -10.230 5.755 -7.871 1.00 0.00 C ATOM 43 C ASP A 4 -9.099 6.545 -7.177 1.00 0.00 C ATOM 44 O ASP A 4 -9.019 6.601 -5.944 1.00 0.00 O ATOM 45 CB ASP A 4 -11.376 6.675 -8.320 1.00 0.00 C ATOM 46 CG ASP A 4 -11.974 7.498 -7.166 1.00 0.00 C ATOM 47 OD1 ASP A 4 -12.799 6.950 -6.396 1.00 0.00 O ATOM 48 OD2 ASP A 4 -11.639 8.701 -7.042 1.00 0.00 O ATOM 0 H ASP A 4 -11.688 4.858 -6.673 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.772 5.307 -8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.009 7.353 -9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.162 6.072 -8.774 1.00 0.00 H new ATOM 53 N ARG A 5 -8.219 7.156 -7.982 1.00 0.00 N ATOM 54 CA ARG A 5 -7.037 7.927 -7.544 1.00 0.00 C ATOM 55 C ARG A 5 -6.908 9.246 -8.317 1.00 0.00 C ATOM 56 O ARG A 5 -7.323 9.337 -9.475 1.00 0.00 O ATOM 57 CB ARG A 5 -5.764 7.070 -7.694 1.00 0.00 C ATOM 58 CG ARG A 5 -5.720 5.896 -6.701 1.00 0.00 C ATOM 59 CD ARG A 5 -4.474 5.030 -6.929 1.00 0.00 C ATOM 60 NE ARG A 5 -4.344 3.968 -5.909 1.00 0.00 N ATOM 61 CZ ARG A 5 -4.978 2.808 -5.864 1.00 0.00 C ATOM 62 NH1 ARG A 5 -5.884 2.468 -6.737 1.00 0.00 N ATOM 63 NH2 ARG A 5 -4.708 1.951 -4.921 1.00 0.00 N ATOM 0 H ARG A 5 -8.311 7.128 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.166 8.182 -6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.709 6.683 -8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.887 7.700 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.720 6.278 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.617 5.286 -6.813 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.523 4.577 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.585 5.661 -6.911 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.688 4.151 -5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.129 3.107 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.348 1.563 -6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.006 2.174 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.198 1.057 -4.888 1.00 0.00 H new ATOM 77 N VAL A 6 -6.326 10.259 -7.672 1.00 0.00 N ATOM 78 CA VAL A 6 -6.192 11.641 -8.161 1.00 0.00 C ATOM 79 C VAL A 6 -4.796 12.217 -7.878 1.00 0.00 C ATOM 80 O VAL A 6 -4.047 11.697 -7.047 1.00 0.00 O ATOM 81 CB VAL A 6 -7.274 12.547 -7.535 1.00 0.00 C ATOM 82 CG1 VAL A 6 -8.678 12.190 -8.034 1.00 0.00 C ATOM 83 CG2 VAL A 6 -7.277 12.541 -6.000 1.00 0.00 C ATOM 0 H VAL A 6 -5.913 10.136 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.329 11.614 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.009 13.552 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.409 12.852 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.720 12.307 -9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.905 11.157 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.064 13.201 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.457 11.528 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.312 12.890 -5.633 1.00 0.00 H new ATOM 93 N LEU A 7 -4.453 13.313 -8.559 1.00 0.00 N ATOM 94 CA LEU A 7 -3.241 14.100 -8.328 1.00 0.00 C ATOM 95 C LEU A 7 -3.270 14.843 -6.975 1.00 0.00 C ATOM 96 O LEU A 7 -4.336 15.231 -6.493 1.00 0.00 O ATOM 97 CB LEU A 7 -2.997 15.043 -9.527 1.00 0.00 C ATOM 98 CG LEU A 7 -3.977 16.226 -9.712 1.00 0.00 C ATOM 99 CD1 LEU A 7 -3.475 17.113 -10.853 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.414 15.825 -10.065 1.00 0.00 C ATOM 0 H LEU A 7 -5.031 13.689 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.393 13.418 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.990 15.451 -9.436 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.017 14.443 -10.437 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.004 16.730 -8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.159 17.950 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.483 17.492 -10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.425 16.530 -11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.025 16.721 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.417 15.267 -11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.823 15.201 -9.270 1.00 0.00 H new ATOM 112 N ARG A 8 -2.095 15.054 -6.369 1.00 0.00 N ATOM 113 CA ARG A 8 -1.940 15.738 -5.068 1.00 0.00 C ATOM 114 C ARG A 8 -1.847 17.260 -5.222 1.00 0.00 C ATOM 115 O ARG A 8 -1.315 17.749 -6.221 1.00 0.00 O ATOM 116 CB ARG A 8 -0.720 15.175 -4.311 1.00 0.00 C ATOM 117 CG ARG A 8 -0.892 13.691 -3.936 1.00 0.00 C ATOM 118 CD ARG A 8 0.327 13.134 -3.189 1.00 0.00 C ATOM 119 NE ARG A 8 0.483 13.729 -1.844 1.00 0.00 N ATOM 120 CZ ARG A 8 1.506 13.561 -1.022 1.00 0.00 C ATOM 121 NH1 ARG A 8 2.531 12.817 -1.329 1.00 0.00 N ATOM 122 NH2 ARG A 8 1.518 14.147 0.142 1.00 0.00 N ATOM 0 H ARG A 8 -1.208 14.751 -6.771 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.836 15.540 -4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.171 15.290 -4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.557 15.759 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.780 13.576 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.059 13.107 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.230 12.052 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.227 13.324 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.274 14.329 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.563 12.340 -2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.301 12.712 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.736 14.739 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.309 14.014 0.772 1.00 0.00 H new ATOM 136 N GLY A 9 -2.311 18.001 -4.214 1.00 0.00 N ATOM 137 CA GLY A 9 -2.286 19.471 -4.160 1.00 0.00 C ATOM 138 C GLY A 9 -3.524 20.159 -4.755 1.00 0.00 C ATOM 139 O GLY A 9 -4.263 19.583 -5.560 1.00 0.00 O ATOM 0 H GLY A 9 -2.730 17.584 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.180 19.781 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.401 19.825 -4.689 1.00 0.00 H new ATOM 143 N SER A 10 -3.750 21.417 -4.362 1.00 0.00 N ATOM 144 CA SER A 10 -4.984 22.189 -4.623 1.00 0.00 C ATOM 145 C SER A 10 -5.284 22.453 -6.107 1.00 0.00 C ATOM 146 O SER A 10 -6.438 22.698 -6.468 1.00 0.00 O ATOM 147 CB SER A 10 -4.920 23.532 -3.883 1.00 0.00 C ATOM 148 OG SER A 10 -4.645 23.332 -2.503 1.00 0.00 O ATOM 0 H SER A 10 -3.059 21.950 -3.835 1.00 0.00 H new ATOM 0 HA SER A 10 -5.797 21.562 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.147 24.160 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.866 24.062 -3.998 1.00 0.00 H new ATOM 0 HG SER A 10 -4.606 24.199 -2.048 1.00 0.00 H new ATOM 154 N ARG A 11 -4.277 22.337 -6.987 1.00 0.00 N ATOM 155 CA ARG A 11 -4.398 22.434 -8.459 1.00 0.00 C ATOM 156 C ARG A 11 -5.287 21.358 -9.109 1.00 0.00 C ATOM 157 O ARG A 11 -5.581 21.449 -10.301 1.00 0.00 O ATOM 158 CB ARG A 11 -2.997 22.551 -9.105 1.00 0.00 C ATOM 159 CG ARG A 11 -1.955 21.487 -8.708 1.00 0.00 C ATOM 160 CD ARG A 11 -2.239 20.082 -9.252 1.00 0.00 C ATOM 161 NE ARG A 11 -1.291 19.107 -8.690 1.00 0.00 N ATOM 162 CZ ARG A 11 -0.148 18.679 -9.186 1.00 0.00 C ATOM 163 NH1 ARG A 11 0.315 19.069 -10.340 1.00 0.00 N ATOM 164 NH2 ARG A 11 0.551 17.829 -8.495 1.00 0.00 N ATOM 0 H ARG A 11 -3.317 22.166 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.945 23.354 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.119 22.519 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.591 23.532 -8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.975 21.808 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.902 21.437 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.259 19.790 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.164 20.085 -10.339 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.556 18.706 -7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.214 19.735 -10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.206 18.708 -10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.212 17.507 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.439 17.484 -8.859 1.00 0.00 H new ATOM 178 N LEU A 12 -5.764 20.379 -8.331 1.00 0.00 N ATOM 179 CA LEU A 12 -6.863 19.473 -8.692 1.00 0.00 C ATOM 180 C LEU A 12 -8.152 20.247 -9.046 1.00 0.00 C ATOM 181 O LEU A 12 -8.872 19.847 -9.962 1.00 0.00 O ATOM 182 CB LEU A 12 -7.053 18.497 -7.509 1.00 0.00 C ATOM 183 CG LEU A 12 -8.121 17.392 -7.680 1.00 0.00 C ATOM 184 CD1 LEU A 12 -7.809 16.235 -6.729 1.00 0.00 C ATOM 185 CD2 LEU A 12 -9.543 17.840 -7.325 1.00 0.00 C ATOM 0 H LEU A 12 -5.384 20.189 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.621 18.912 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.096 18.016 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.307 19.081 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.085 17.118 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.560 15.454 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.824 15.829 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.820 16.596 -5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.233 17.009 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.574 18.159 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.834 18.671 -7.968 1.00 0.00 H new ATOM 197 N GLY A 13 -8.426 21.365 -8.359 1.00 0.00 N ATOM 198 CA GLY A 13 -9.619 22.193 -8.579 1.00 0.00 C ATOM 199 C GLY A 13 -10.906 21.537 -8.068 1.00 0.00 C ATOM 200 O GLY A 13 -11.870 21.390 -8.821 1.00 0.00 O ATOM 0 H GLY A 13 -7.816 21.724 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.485 23.153 -8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.721 22.398 -9.645 1.00 0.00 H new ATOM 204 N ALA A 14 -10.917 21.096 -6.803 1.00 0.00 N ATOM 205 CA ALA A 14 -12.023 20.346 -6.198 1.00 0.00 C ATOM 206 C ALA A 14 -13.386 21.041 -6.406 1.00 0.00 C ATOM 207 O ALA A 14 -13.583 22.184 -5.986 1.00 0.00 O ATOM 208 CB ALA A 14 -11.715 20.128 -4.710 1.00 0.00 C ATOM 0 H ALA A 14 -10.141 21.254 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.108 19.380 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.530 19.571 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.787 19.565 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.609 21.093 -4.215 1.00 0.00 H new ATOM 214 N VAL A 15 -14.304 20.347 -7.098 1.00 0.00 N ATOM 215 CA VAL A 15 -15.633 20.793 -7.556 1.00 0.00 C ATOM 216 C VAL A 15 -15.701 22.178 -8.240 1.00 0.00 C ATOM 217 O VAL A 15 -16.771 22.783 -8.324 1.00 0.00 O ATOM 218 CB VAL A 15 -16.725 20.552 -6.493 1.00 0.00 C ATOM 219 CG1 VAL A 15 -16.745 19.091 -6.018 1.00 0.00 C ATOM 220 CG2 VAL A 15 -16.630 21.459 -5.261 1.00 0.00 C ATOM 0 H VAL A 15 -14.123 19.382 -7.375 1.00 0.00 H new ATOM 0 HA VAL A 15 -15.858 20.135 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.651 20.800 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -17.527 18.962 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -16.942 18.435 -6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.779 18.837 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.437 21.218 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.671 21.303 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.715 22.501 -5.569 1.00 0.00 H new ATOM 230 N SER A 16 -14.573 22.673 -8.759 1.00 0.00 N ATOM 231 CA SER A 16 -14.443 23.958 -9.462 1.00 0.00 C ATOM 232 C SER A 16 -13.275 23.891 -10.461 1.00 0.00 C ATOM 233 O SER A 16 -12.137 24.268 -10.161 1.00 0.00 O ATOM 234 CB SER A 16 -14.261 25.085 -8.439 1.00 0.00 C ATOM 235 OG SER A 16 -14.308 26.351 -9.078 1.00 0.00 O ATOM 0 H SER A 16 -13.688 22.170 -8.700 1.00 0.00 H new ATOM 0 HA SER A 16 -15.349 24.167 -10.031 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.042 25.025 -7.681 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.307 24.966 -7.925 1.00 0.00 H new ATOM 0 HG SER A 16 -14.192 27.059 -8.410 1.00 0.00 H new ATOM 241 N TYR A 17 -13.551 23.334 -11.642 1.00 0.00 N ATOM 242 CA TYR A 17 -12.563 23.019 -12.683 1.00 0.00 C ATOM 243 C TYR A 17 -13.115 23.215 -14.099 1.00 0.00 C ATOM 244 O TYR A 17 -14.327 23.227 -14.319 1.00 0.00 O ATOM 245 CB TYR A 17 -12.042 21.583 -12.487 1.00 0.00 C ATOM 246 CG TYR A 17 -13.100 20.493 -12.593 1.00 0.00 C ATOM 247 CD1 TYR A 17 -13.829 20.104 -11.453 1.00 0.00 C ATOM 248 CD2 TYR A 17 -13.355 19.871 -13.832 1.00 0.00 C ATOM 249 CE1 TYR A 17 -14.821 19.109 -11.547 1.00 0.00 C ATOM 250 CE2 TYR A 17 -14.341 18.869 -13.931 1.00 0.00 C ATOM 251 CZ TYR A 17 -15.080 18.488 -12.788 1.00 0.00 C ATOM 252 OH TYR A 17 -16.037 17.523 -12.873 1.00 0.00 O ATOM 0 H TYR A 17 -14.501 23.080 -11.912 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.736 23.722 -12.578 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.267 21.389 -13.229 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.569 21.515 -11.507 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.626 20.572 -10.501 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.794 20.163 -14.707 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.383 18.821 -10.671 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.532 18.392 -14.881 1.00 0.00 H new ATOM 0 HH TYR A 17 -16.092 17.198 -13.796 1.00 0.00 H new ATOM 262 N GLU A 18 -12.214 23.362 -15.073 1.00 0.00 N ATOM 263 CA GLU A 18 -12.563 23.495 -16.490 1.00 0.00 C ATOM 264 C GLU A 18 -13.161 22.189 -17.045 1.00 0.00 C ATOM 265 O GLU A 18 -12.485 21.168 -17.186 1.00 0.00 O ATOM 266 CB GLU A 18 -11.364 24.027 -17.304 1.00 0.00 C ATOM 267 CG GLU A 18 -10.086 23.172 -17.266 1.00 0.00 C ATOM 268 CD GLU A 18 -8.903 23.918 -17.912 1.00 0.00 C ATOM 269 OE1 GLU A 18 -8.750 23.868 -19.157 1.00 0.00 O ATOM 270 OE2 GLU A 18 -8.107 24.552 -17.177 1.00 0.00 O ATOM 0 H GLU A 18 -11.210 23.392 -14.898 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.351 24.242 -16.590 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.675 24.133 -18.343 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.119 25.025 -16.941 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.842 22.922 -16.234 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.257 22.232 -17.790 1.00 0.00 H new ATOM 277 N THR A 19 -14.460 22.215 -17.339 1.00 0.00 N ATOM 278 CA THR A 19 -15.230 21.078 -17.887 1.00 0.00 C ATOM 279 C THR A 19 -15.149 20.930 -19.415 1.00 0.00 C ATOM 280 O THR A 19 -15.572 19.910 -19.962 1.00 0.00 O ATOM 281 CB THR A 19 -16.705 21.163 -17.455 1.00 0.00 C ATOM 282 OG1 THR A 19 -17.230 22.444 -17.743 1.00 0.00 O ATOM 283 CG2 THR A 19 -16.877 20.925 -15.954 1.00 0.00 C ATOM 0 H THR A 19 -15.031 23.049 -17.202 1.00 0.00 H new ATOM 0 HA THR A 19 -14.760 20.188 -17.468 1.00 0.00 H new ATOM 0 HB THR A 19 -17.234 20.388 -18.009 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.169 22.483 -17.465 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.933 20.994 -15.693 1.00 0.00 H new ATOM 0 HG22 THR A 19 -16.504 19.933 -15.698 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.316 21.678 -15.400 1.00 0.00 H new ATOM 291 N ASP A 20 -14.587 21.919 -20.114 1.00 0.00 N ATOM 292 CA ASP A 20 -14.472 21.969 -21.581 1.00 0.00 C ATOM 293 C ASP A 20 -13.144 21.380 -22.094 1.00 0.00 C ATOM 294 O ASP A 20 -12.133 21.383 -21.384 1.00 0.00 O ATOM 295 CB ASP A 20 -14.662 23.412 -22.067 1.00 0.00 C ATOM 296 CG ASP A 20 -16.045 23.958 -21.691 1.00 0.00 C ATOM 297 OD1 ASP A 20 -17.036 23.640 -22.391 1.00 0.00 O ATOM 298 OD2 ASP A 20 -16.130 24.707 -20.688 1.00 0.00 O ATOM 0 H ASP A 20 -14.183 22.739 -19.661 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.261 21.342 -21.996 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.890 24.047 -21.633 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.537 23.451 -23.149 1.00 0.00 H new ATOM 303 N ARG A 21 -13.133 20.866 -23.333 1.00 0.00 N ATOM 304 CA ARG A 21 -11.969 20.213 -23.970 1.00 0.00 C ATOM 305 C ARG A 21 -11.758 20.681 -25.417 1.00 0.00 C ATOM 306 O ARG A 21 -12.686 21.160 -26.069 1.00 0.00 O ATOM 307 CB ARG A 21 -12.112 18.675 -23.897 1.00 0.00 C ATOM 308 CG ARG A 21 -12.171 18.097 -22.471 1.00 0.00 C ATOM 309 CD ARG A 21 -10.826 18.202 -21.737 1.00 0.00 C ATOM 310 NE ARG A 21 -10.914 17.678 -20.359 1.00 0.00 N ATOM 311 CZ ARG A 21 -11.230 18.359 -19.270 1.00 0.00 C ATOM 312 NH1 ARG A 21 -11.543 19.620 -19.297 1.00 0.00 N ATOM 313 NH2 ARG A 21 -11.244 17.781 -18.103 1.00 0.00 N ATOM 0 H ARG A 21 -13.953 20.891 -23.939 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.080 20.510 -23.414 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.017 18.383 -24.430 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.272 18.221 -24.423 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.935 18.625 -21.900 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.474 17.051 -22.519 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.066 17.649 -22.289 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.506 19.244 -21.711 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.710 16.687 -20.234 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.552 20.124 -20.183 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.780 20.105 -18.432 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.009 16.792 -18.021 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.489 18.318 -17.271 1.00 0.00 H new ATOM 327 N ASN A 22 -10.530 20.515 -25.912 1.00 0.00 N ATOM 328 CA ASN A 22 -10.051 20.968 -27.227 1.00 0.00 C ATOM 329 C ASN A 22 -9.656 19.810 -28.177 1.00 0.00 C ATOM 330 O ASN A 22 -8.805 19.977 -29.054 1.00 0.00 O ATOM 331 CB ASN A 22 -8.930 22.010 -27.020 1.00 0.00 C ATOM 332 CG ASN A 22 -7.632 21.449 -26.449 1.00 0.00 C ATOM 333 OD1 ASN A 22 -7.544 20.328 -25.963 1.00 0.00 O ATOM 334 ND2 ASN A 22 -6.574 22.229 -26.462 1.00 0.00 N ATOM 0 H ASN A 22 -9.802 20.036 -25.382 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.878 21.449 -27.750 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.714 22.485 -27.977 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.297 22.790 -26.353 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.692 21.899 -26.070 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.635 23.164 -26.864 1.00 0.00 H new ATOM 341 N HIS A 23 -10.260 18.625 -28.001 1.00 0.00 N ATOM 342 CA HIS A 23 -10.020 17.441 -28.848 1.00 0.00 C ATOM 343 C HIS A 23 -10.461 17.660 -30.309 1.00 0.00 C ATOM 344 O HIS A 23 -9.817 17.164 -31.235 1.00 0.00 O ATOM 345 CB HIS A 23 -10.730 16.232 -28.220 1.00 0.00 C ATOM 346 CG HIS A 23 -10.437 14.926 -28.921 1.00 0.00 C ATOM 347 ND1 HIS A 23 -11.349 14.186 -29.682 1.00 0.00 N ATOM 348 CD2 HIS A 23 -9.240 14.269 -28.908 1.00 0.00 C ATOM 349 CE1 HIS A 23 -10.677 13.104 -30.115 1.00 0.00 C ATOM 350 NE2 HIS A 23 -9.410 13.129 -29.663 1.00 0.00 N ATOM 0 H HIS A 23 -10.938 18.457 -27.258 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.947 17.255 -28.890 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.431 16.149 -27.175 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.806 16.407 -28.231 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.337 14.582 -28.405 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.095 12.326 -30.737 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -8.697 12.424 -29.848 1.00 0.00 H new ATOM 358 N ASP A 24 -11.501 18.474 -30.517 1.00 0.00 N ATOM 359 CA ASP A 24 -11.823 19.129 -31.791 1.00 0.00 C ATOM 360 C ASP A 24 -11.496 20.633 -31.723 1.00 0.00 C ATOM 361 O ASP A 24 -11.542 21.243 -30.649 1.00 0.00 O ATOM 362 CB ASP A 24 -13.299 18.918 -32.156 1.00 0.00 C ATOM 363 CG ASP A 24 -13.628 17.449 -32.469 1.00 0.00 C ATOM 364 OD1 ASP A 24 -13.168 16.937 -33.519 1.00 0.00 O ATOM 365 OD2 ASP A 24 -14.382 16.812 -31.693 1.00 0.00 O ATOM 0 H ASP A 24 -12.165 18.704 -29.778 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.210 18.675 -32.570 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.925 19.259 -31.332 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.547 19.534 -33.020 1.00 0.00 H new ATOM 370 N LEU A 25 -11.192 21.236 -32.877 1.00 0.00 N ATOM 371 CA LEU A 25 -10.826 22.653 -33.023 1.00 0.00 C ATOM 372 C LEU A 25 -11.717 23.355 -34.062 1.00 0.00 C ATOM 373 O LEU A 25 -12.060 22.780 -35.098 1.00 0.00 O ATOM 374 CB LEU A 25 -9.333 22.774 -33.390 1.00 0.00 C ATOM 375 CG LEU A 25 -8.345 22.222 -32.340 1.00 0.00 C ATOM 376 CD1 LEU A 25 -6.920 22.303 -32.887 1.00 0.00 C ATOM 377 CD2 LEU A 25 -8.385 23.007 -31.026 1.00 0.00 C ATOM 0 H LEU A 25 -11.193 20.736 -33.766 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.990 23.155 -32.069 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.165 22.252 -34.332 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.103 23.825 -33.563 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.642 21.193 -32.139 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.223 21.913 -32.145 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.847 21.712 -33.800 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.673 23.342 -33.106 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.671 22.577 -30.323 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.124 24.048 -31.216 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.388 22.956 -30.602 1.00 0.00 H new ATOM 389 N ALA A 26 -12.082 24.608 -33.775 1.00 0.00 N ATOM 390 CA ALA A 26 -12.994 25.437 -34.571 1.00 0.00 C ATOM 391 C ALA A 26 -12.696 26.951 -34.412 1.00 0.00 C ATOM 392 O ALA A 26 -11.937 27.316 -33.502 1.00 0.00 O ATOM 393 CB ALA A 26 -14.424 25.111 -34.109 1.00 0.00 C ATOM 0 H ALA A 26 -11.736 25.093 -32.947 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.864 25.214 -35.630 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.136 25.709 -34.679 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.627 24.053 -34.272 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.525 25.340 -33.048 1.00 0.00 H new ATOM 399 N PRO A 27 -13.312 27.833 -35.234 1.00 0.00 N ATOM 400 CA PRO A 27 -13.373 29.298 -35.057 1.00 0.00 C ATOM 401 C PRO A 27 -14.053 29.747 -33.744 1.00 0.00 C ATOM 402 O PRO A 27 -15.178 30.251 -33.717 1.00 0.00 O ATOM 403 CB PRO A 27 -14.099 29.823 -36.305 1.00 0.00 C ATOM 404 CG PRO A 27 -13.769 28.781 -37.367 1.00 0.00 C ATOM 405 CD PRO A 27 -13.838 27.492 -36.554 1.00 0.00 C ATOM 0 HA PRO A 27 -12.369 29.712 -34.962 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.174 29.904 -36.141 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.745 30.814 -36.590 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.487 28.788 -38.187 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.783 28.938 -37.805 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.862 27.126 -36.485 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.248 26.703 -37.019 1.00 0.00 H new ATOM 413 N ARG A 28 -13.372 29.500 -32.623 1.00 0.00 N ATOM 414 CA ARG A 28 -13.896 29.580 -31.253 1.00 0.00 C ATOM 415 C ARG A 28 -13.566 30.901 -30.555 1.00 0.00 C ATOM 416 O ARG A 28 -12.602 31.586 -30.891 1.00 0.00 O ATOM 417 CB ARG A 28 -13.434 28.340 -30.469 1.00 0.00 C ATOM 418 CG ARG A 28 -11.915 28.328 -30.220 1.00 0.00 C ATOM 419 CD ARG A 28 -11.395 26.904 -29.991 1.00 0.00 C ATOM 420 NE ARG A 28 -9.922 26.874 -29.899 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.050 26.919 -30.893 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.402 27.027 -32.145 1.00 0.00 N ATOM 423 NH2 ARG A 28 -7.774 26.854 -30.643 1.00 0.00 N ATOM 0 H ARG A 28 -12.390 29.225 -32.645 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.985 29.577 -31.295 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.955 28.305 -29.512 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.715 27.442 -31.019 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.402 28.771 -31.073 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.682 28.945 -29.352 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.826 26.501 -29.074 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.723 26.260 -30.807 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.531 26.811 -28.959 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.390 27.081 -32.394 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.690 27.057 -32.874 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.447 26.768 -29.681 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.102 26.889 -31.409 1.00 0.00 H new ATOM 437 N GLN A 29 -14.390 31.236 -29.565 1.00 0.00 N ATOM 438 CA GLN A 29 -14.435 32.527 -28.875 1.00 0.00 C ATOM 439 C GLN A 29 -14.353 32.283 -27.362 1.00 0.00 C ATOM 440 O GLN A 29 -15.316 31.859 -26.729 1.00 0.00 O ATOM 441 CB GLN A 29 -15.732 33.279 -29.240 1.00 0.00 C ATOM 442 CG GLN A 29 -16.014 33.423 -30.750 1.00 0.00 C ATOM 443 CD GLN A 29 -17.353 32.813 -31.143 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.194 33.435 -31.776 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.576 31.567 -30.795 1.00 0.00 N ATOM 0 H GLN A 29 -15.082 30.581 -29.202 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.592 33.144 -29.185 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.573 32.762 -28.779 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.690 34.275 -28.799 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.003 34.479 -31.021 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.216 32.941 -31.315 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.872 31.051 -30.267 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.453 31.115 -31.053 1.00 0.00 H new ATOM 454 N ILE A 30 -13.184 32.512 -26.777 1.00 0.00 N ATOM 455 CA ILE A 30 -12.947 32.332 -25.338 1.00 0.00 C ATOM 456 C ILE A 30 -13.348 33.624 -24.613 1.00 0.00 C ATOM 457 O ILE A 30 -12.636 34.625 -24.690 1.00 0.00 O ATOM 458 CB ILE A 30 -11.477 31.947 -25.033 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.838 30.945 -26.022 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.395 31.428 -23.584 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.562 29.607 -26.189 1.00 0.00 C ATOM 0 H ILE A 30 -12.361 32.831 -27.288 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.556 31.503 -24.979 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.884 32.853 -25.160 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.772 31.423 -26.999 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.818 30.744 -25.695 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.366 31.153 -23.354 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.724 32.209 -22.899 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.038 30.555 -23.473 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.022 28.988 -26.906 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.606 29.095 -25.228 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.574 29.784 -26.552 1.00 0.00 H new ATOM 473 N ALA A 31 -14.467 33.620 -23.898 1.00 0.00 N ATOM 474 CA ALA A 31 -14.876 34.736 -23.045 1.00 0.00 C ATOM 475 C ALA A 31 -14.474 34.499 -21.580 1.00 0.00 C ATOM 476 O ALA A 31 -14.224 33.371 -21.157 1.00 0.00 O ATOM 477 CB ALA A 31 -16.382 34.960 -23.204 1.00 0.00 C ATOM 0 H ALA A 31 -15.122 32.838 -23.892 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.356 35.641 -23.357 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.695 35.790 -22.571 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.607 35.192 -24.245 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.917 34.057 -22.909 1.00 0.00 H new ATOM 483 N ARG A 32 -14.429 35.575 -20.793 1.00 0.00 N ATOM 484 CA ARG A 32 -14.266 35.549 -19.331 1.00 0.00 C ATOM 485 C ARG A 32 -15.529 36.056 -18.651 1.00 0.00 C ATOM 486 O ARG A 32 -16.191 36.952 -19.169 1.00 0.00 O ATOM 487 CB ARG A 32 -13.036 36.373 -18.912 1.00 0.00 C ATOM 488 CG ARG A 32 -11.767 35.515 -18.864 1.00 0.00 C ATOM 489 CD ARG A 32 -10.502 36.382 -18.847 1.00 0.00 C ATOM 490 NE ARG A 32 -10.290 37.067 -17.553 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.135 37.497 -17.075 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.026 37.432 -17.756 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.080 38.027 -15.892 1.00 0.00 N ATOM 0 H ARG A 32 -14.507 36.522 -21.164 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.102 34.520 -19.012 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.893 37.195 -19.613 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.212 36.817 -17.932 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.788 34.882 -17.977 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.743 34.851 -19.728 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.637 35.757 -19.067 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.568 37.127 -19.640 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.115 37.223 -16.974 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.027 37.037 -18.697 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.156 37.776 -17.349 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.928 38.112 -15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.189 38.359 -15.523 1.00 0.00 H new ATOM 507 N TYR A 33 -15.824 35.538 -17.462 1.00 0.00 N ATOM 508 CA TYR A 33 -16.940 35.984 -16.630 1.00 0.00 C ATOM 509 C TYR A 33 -16.544 36.043 -15.150 1.00 0.00 C ATOM 510 O TYR A 33 -15.802 35.187 -14.665 1.00 0.00 O ATOM 511 CB TYR A 33 -18.149 35.063 -16.810 1.00 0.00 C ATOM 512 CG TYR A 33 -18.715 34.966 -18.207 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.108 34.131 -19.163 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.879 35.681 -18.530 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.685 33.994 -20.436 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.451 35.559 -19.807 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.877 34.681 -20.748 1.00 0.00 C ATOM 518 OH TYR A 33 -20.507 34.458 -21.928 1.00 0.00 O ATOM 0 H TYR A 33 -15.284 34.782 -17.041 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.209 36.990 -16.953 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.867 34.061 -16.485 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.941 35.404 -16.143 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.201 33.597 -18.919 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.336 36.327 -17.795 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.216 33.363 -21.176 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.327 36.135 -20.067 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.213 33.600 -22.299 1.00 0.00 H new ATOM 528 N ARG A 34 -17.054 37.052 -14.433 1.00 0.00 N ATOM 529 CA ARG A 34 -16.790 37.311 -13.008 1.00 0.00 C ATOM 530 C ARG A 34 -18.010 37.008 -12.143 1.00 0.00 C ATOM 531 O ARG A 34 -19.087 37.550 -12.390 1.00 0.00 O ATOM 532 CB ARG A 34 -16.302 38.761 -12.835 1.00 0.00 C ATOM 533 CG ARG A 34 -15.688 38.960 -11.441 1.00 0.00 C ATOM 534 CD ARG A 34 -14.824 40.226 -11.363 1.00 0.00 C ATOM 535 NE ARG A 34 -13.813 40.099 -10.297 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.093 41.055 -9.744 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.232 42.313 -10.058 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.209 40.747 -8.839 1.00 0.00 N ATOM 0 H ARG A 34 -17.687 37.738 -14.844 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.004 36.638 -12.665 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.563 38.996 -13.601 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.135 39.450 -12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.485 39.020 -10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.081 38.092 -11.186 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.332 40.396 -12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.456 41.093 -11.171 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.651 39.156 -9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.920 42.591 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.653 43.019 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.079 39.773 -8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.647 41.479 -8.405 1.00 0.00 H new ATOM 552 N THR A 35 -17.834 36.151 -11.142 1.00 0.00 N ATOM 553 CA THR A 35 -18.887 35.708 -10.209 1.00 0.00 C ATOM 554 C THR A 35 -19.163 36.755 -9.131 1.00 0.00 C ATOM 555 O THR A 35 -18.484 37.781 -9.036 1.00 0.00 O ATOM 556 CB THR A 35 -18.550 34.384 -9.511 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.419 34.548 -8.710 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.316 33.236 -10.472 1.00 0.00 C ATOM 0 H THR A 35 -16.928 35.727 -10.944 1.00 0.00 H new ATOM 0 HA THR A 35 -19.772 35.564 -10.829 1.00 0.00 H new ATOM 0 HB THR A 35 -19.421 34.124 -8.909 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.643 34.743 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.083 32.332 -9.909 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.214 33.071 -11.067 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.483 33.478 -11.132 1.00 0.00 H new ATOM 566 N ASP A 36 -20.128 36.476 -8.255 1.00 0.00 N ATOM 567 CA ASP A 36 -20.524 37.406 -7.199 1.00 0.00 C ATOM 568 C ASP A 36 -19.509 37.509 -6.045 1.00 0.00 C ATOM 569 O ASP A 36 -19.528 38.503 -5.316 1.00 0.00 O ATOM 570 CB ASP A 36 -21.928 37.032 -6.708 1.00 0.00 C ATOM 571 CG ASP A 36 -22.537 38.099 -5.778 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.804 39.232 -6.250 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.791 37.797 -4.587 1.00 0.00 O ATOM 0 H ASP A 36 -20.655 35.603 -8.257 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.542 38.408 -7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.583 36.889 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.882 36.079 -6.180 1.00 0.00 H new ATOM 578 N ASN A 37 -18.572 36.555 -5.908 1.00 0.00 N ATOM 579 CA ASN A 37 -17.462 36.698 -4.948 1.00 0.00 C ATOM 580 C ASN A 37 -16.232 37.415 -5.560 1.00 0.00 C ATOM 581 O ASN A 37 -15.188 37.523 -4.912 1.00 0.00 O ATOM 582 CB ASN A 37 -17.072 35.354 -4.318 1.00 0.00 C ATOM 583 CG ASN A 37 -18.202 34.394 -3.996 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.277 34.750 -3.532 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.958 33.125 -4.214 1.00 0.00 N ATOM 0 H ASN A 37 -18.559 35.686 -6.442 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.833 37.340 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.381 34.850 -4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.526 35.557 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.667 32.425 -3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.059 32.838 -4.601 1.00 0.00 H new ATOM 592 N GLY A 38 -16.323 37.852 -6.824 1.00 0.00 N ATOM 593 CA GLY A 38 -15.202 38.342 -7.635 1.00 0.00 C ATOM 594 C GLY A 38 -14.386 37.253 -8.326 1.00 0.00 C ATOM 595 O GLY A 38 -13.376 37.573 -8.954 1.00 0.00 O ATOM 0 H GLY A 38 -17.210 37.874 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.591 39.021 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.537 38.924 -6.996 1.00 0.00 H new ATOM 599 N GLU A 39 -14.790 35.986 -8.220 1.00 0.00 N ATOM 600 CA GLU A 39 -14.063 34.853 -8.808 1.00 0.00 C ATOM 601 C GLU A 39 -14.247 34.875 -10.328 1.00 0.00 C ATOM 602 O GLU A 39 -15.375 34.803 -10.813 1.00 0.00 O ATOM 603 CB GLU A 39 -14.514 33.494 -8.226 1.00 0.00 C ATOM 604 CG GLU A 39 -14.875 33.549 -6.735 1.00 0.00 C ATOM 605 CD GLU A 39 -14.644 32.259 -5.929 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.639 31.540 -6.144 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.466 32.006 -5.014 1.00 0.00 O ATOM 0 H GLU A 39 -15.636 35.712 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.008 34.962 -8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.378 33.138 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.717 32.765 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.297 34.349 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.926 33.823 -6.648 1.00 0.00 H new ATOM 614 N GLU A 40 -13.164 34.979 -11.089 1.00 0.00 N ATOM 615 CA GLU A 40 -13.214 35.034 -12.556 1.00 0.00 C ATOM 616 C GLU A 40 -12.832 33.691 -13.186 1.00 0.00 C ATOM 617 O GLU A 40 -11.819 33.079 -12.829 1.00 0.00 O ATOM 618 CB GLU A 40 -12.260 36.102 -13.100 1.00 0.00 C ATOM 619 CG GLU A 40 -12.784 37.517 -12.875 1.00 0.00 C ATOM 620 CD GLU A 40 -11.836 38.557 -13.498 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.523 38.440 -14.708 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.379 39.478 -12.782 1.00 0.00 O ATOM 0 H GLU A 40 -12.219 35.028 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.243 35.280 -12.820 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.288 35.996 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.107 35.939 -14.167 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.777 37.616 -13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.886 37.706 -11.806 1.00 0.00 H new ATOM 629 N PHE A 41 -13.637 33.265 -14.162 1.00 0.00 N ATOM 630 CA PHE A 41 -13.438 32.046 -14.946 1.00 0.00 C ATOM 631 C PHE A 41 -13.506 32.317 -16.453 1.00 0.00 C ATOM 632 O PHE A 41 -14.042 33.333 -16.897 1.00 0.00 O ATOM 633 CB PHE A 41 -14.486 31.002 -14.540 1.00 0.00 C ATOM 634 CG PHE A 41 -14.367 30.541 -13.098 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.967 31.264 -12.045 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.612 29.387 -12.807 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.787 30.839 -10.723 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.426 28.974 -11.477 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.005 29.708 -10.433 1.00 0.00 C ATOM 0 H PHE A 41 -14.475 33.778 -14.437 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.439 31.665 -14.735 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.481 31.419 -14.697 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.396 30.137 -15.197 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.562 32.140 -12.258 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.173 28.816 -13.612 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.254 31.386 -9.918 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.839 28.094 -11.260 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.851 29.405 -9.408 1.00 0.00 H new ATOM 649 N GLU A 42 -13.000 31.372 -17.244 1.00 0.00 N ATOM 650 CA GLU A 42 -12.991 31.414 -18.706 1.00 0.00 C ATOM 651 C GLU A 42 -13.960 30.372 -19.282 1.00 0.00 C ATOM 652 O GLU A 42 -13.966 29.213 -18.855 1.00 0.00 O ATOM 653 CB GLU A 42 -11.580 31.184 -19.282 1.00 0.00 C ATOM 654 CG GLU A 42 -10.444 31.979 -18.616 1.00 0.00 C ATOM 655 CD GLU A 42 -9.690 31.142 -17.561 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.695 30.466 -17.921 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.073 31.160 -16.366 1.00 0.00 O ATOM 0 H GLU A 42 -12.570 30.526 -16.871 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.315 32.413 -18.998 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.347 30.122 -19.207 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.597 31.432 -20.343 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.743 32.316 -19.379 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.855 32.871 -18.144 1.00 0.00 H new ATOM 664 N VAL A 43 -14.759 30.775 -20.270 1.00 0.00 N ATOM 665 CA VAL A 43 -15.741 29.934 -20.976 1.00 0.00 C ATOM 666 C VAL A 43 -15.504 29.981 -22.497 1.00 0.00 C ATOM 667 O VAL A 43 -15.761 31.011 -23.128 1.00 0.00 O ATOM 668 CB VAL A 43 -17.186 30.348 -20.639 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.190 29.375 -21.269 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.446 30.391 -19.127 1.00 0.00 C ATOM 0 H VAL A 43 -14.744 31.733 -20.618 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.602 28.908 -20.635 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.317 31.351 -21.046 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.204 29.686 -21.018 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.067 29.376 -22.352 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.013 28.370 -20.885 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.479 30.688 -18.944 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.271 29.404 -18.700 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.773 31.112 -18.662 1.00 0.00 H new ATOM 680 N PRO A 44 -15.030 28.882 -23.114 1.00 0.00 N ATOM 681 CA PRO A 44 -14.974 28.720 -24.562 1.00 0.00 C ATOM 682 C PRO A 44 -16.370 28.587 -25.190 1.00 0.00 C ATOM 683 O PRO A 44 -17.179 27.749 -24.786 1.00 0.00 O ATOM 684 CB PRO A 44 -14.134 27.462 -24.818 1.00 0.00 C ATOM 685 CG PRO A 44 -13.363 27.244 -23.518 1.00 0.00 C ATOM 686 CD PRO A 44 -14.321 27.794 -22.468 1.00 0.00 C ATOM 0 HA PRO A 44 -14.531 29.602 -25.025 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.765 26.605 -25.053 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.458 27.601 -25.662 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.140 26.190 -23.351 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.411 27.776 -23.517 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.013 27.024 -22.128 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.779 28.146 -21.590 1.00 0.00 H new ATOM 694 N PHE A 45 -16.615 29.382 -26.228 1.00 0.00 N ATOM 695 CA PHE A 45 -17.775 29.300 -27.126 1.00 0.00 C ATOM 696 C PHE A 45 -17.359 28.866 -28.531 1.00 0.00 C ATOM 697 O PHE A 45 -16.353 29.330 -29.067 1.00 0.00 O ATOM 698 CB PHE A 45 -18.504 30.646 -27.182 1.00 0.00 C ATOM 699 CG PHE A 45 -19.327 30.932 -25.943 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.697 31.413 -24.780 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.716 30.709 -25.945 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.448 31.651 -23.620 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.471 30.969 -24.786 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.833 31.433 -23.622 1.00 0.00 C ATOM 0 H PHE A 45 -15.982 30.140 -26.483 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.454 28.546 -26.727 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.772 31.443 -27.316 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.156 30.662 -28.055 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.633 31.599 -24.781 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.203 30.339 -26.835 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.959 32.003 -22.724 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.540 30.812 -24.791 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.410 31.622 -22.729 1.00 0.00 H new ATOM 714 N ALA A 46 -18.163 28.013 -29.157 1.00 0.00 N ATOM 715 CA ALA A 46 -17.885 27.452 -30.480 1.00 0.00 C ATOM 716 C ALA A 46 -18.323 28.395 -31.613 1.00 0.00 C ATOM 717 O ALA A 46 -19.128 29.301 -31.408 1.00 0.00 O ATOM 718 CB ALA A 46 -18.562 26.079 -30.575 1.00 0.00 C ATOM 0 H ALA A 46 -19.041 27.685 -28.755 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.809 27.333 -30.604 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.366 25.644 -31.555 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.164 25.423 -29.801 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.637 26.193 -30.437 1.00 0.00 H new ATOM 724 N ASP A 47 -17.844 28.144 -32.831 1.00 0.00 N ATOM 725 CA ASP A 47 -18.216 28.861 -34.060 1.00 0.00 C ATOM 726 C ASP A 47 -19.736 28.896 -34.326 1.00 0.00 C ATOM 727 O ASP A 47 -20.268 29.815 -34.949 1.00 0.00 O ATOM 728 CB ASP A 47 -17.509 28.156 -35.225 1.00 0.00 C ATOM 729 CG ASP A 47 -18.132 26.801 -35.614 1.00 0.00 C ATOM 730 OD1 ASP A 47 -18.007 25.832 -34.829 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.742 26.707 -36.704 1.00 0.00 O ATOM 0 H ASP A 47 -17.159 27.407 -33.000 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.911 29.902 -33.952 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.523 28.813 -36.095 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.463 28.000 -34.960 1.00 0.00 H new ATOM 736 N ASP A 48 -20.435 27.897 -33.801 1.00 0.00 N ATOM 737 CA ASP A 48 -21.896 27.738 -33.845 1.00 0.00 C ATOM 738 C ASP A 48 -22.663 28.697 -32.902 1.00 0.00 C ATOM 739 O ASP A 48 -23.881 28.847 -33.027 1.00 0.00 O ATOM 740 CB ASP A 48 -22.208 26.273 -33.512 1.00 0.00 C ATOM 741 CG ASP A 48 -23.679 25.896 -33.765 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.131 25.958 -34.935 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.378 25.490 -32.804 1.00 0.00 O ATOM 0 H ASP A 48 -19.980 27.131 -33.305 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.240 28.003 -34.845 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.566 25.626 -34.109 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.966 26.085 -32.466 1.00 0.00 H new ATOM 748 N ALA A 49 -21.966 29.347 -31.963 1.00 0.00 N ATOM 749 CA ALA A 49 -22.535 30.151 -30.874 1.00 0.00 C ATOM 750 C ALA A 49 -21.895 31.549 -30.734 1.00 0.00 C ATOM 751 O ALA A 49 -20.776 31.793 -31.191 1.00 0.00 O ATOM 752 CB ALA A 49 -22.393 29.345 -29.574 1.00 0.00 C ATOM 0 H ALA A 49 -20.946 29.327 -31.940 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.583 30.346 -31.103 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.808 29.917 -28.744 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.932 28.402 -29.670 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.339 29.143 -29.384 1.00 0.00 H new ATOM 758 N GLU A 50 -22.595 32.461 -30.047 1.00 0.00 N ATOM 759 CA GLU A 50 -22.089 33.783 -29.641 1.00 0.00 C ATOM 760 C GLU A 50 -22.369 34.094 -28.162 1.00 0.00 C ATOM 761 O GLU A 50 -23.332 33.604 -27.570 1.00 0.00 O ATOM 762 CB GLU A 50 -22.644 34.907 -30.538 1.00 0.00 C ATOM 763 CG GLU A 50 -21.980 34.879 -31.915 1.00 0.00 C ATOM 764 CD GLU A 50 -22.217 36.155 -32.747 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.382 36.593 -32.902 1.00 0.00 O ATOM 766 OE2 GLU A 50 -21.216 36.708 -33.272 1.00 0.00 O ATOM 0 H GLU A 50 -23.557 32.297 -29.749 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.007 33.742 -29.769 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.723 34.793 -30.647 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.472 35.874 -30.066 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.907 34.734 -31.788 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.354 34.019 -32.471 1.00 0.00 H new ATOM 773 N ILE A 51 -21.496 34.928 -27.594 1.00 0.00 N ATOM 774 CA ILE A 51 -21.340 35.291 -26.182 1.00 0.00 C ATOM 775 C ILE A 51 -22.554 36.070 -25.640 1.00 0.00 C ATOM 776 O ILE A 51 -22.769 37.227 -26.025 1.00 0.00 O ATOM 777 CB ILE A 51 -20.053 36.118 -25.960 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.830 35.634 -26.778 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.697 36.153 -24.465 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.367 34.204 -26.499 1.00 0.00 C ATOM 0 H ILE A 51 -20.810 35.416 -28.170 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.267 34.354 -25.630 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.282 37.119 -26.325 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.069 35.718 -27.838 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.997 36.310 -26.585 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.789 36.738 -24.321 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.515 36.609 -23.907 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.535 35.137 -24.106 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.506 33.971 -27.126 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.088 34.110 -25.450 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.177 33.509 -26.722 1.00 0.00 H new ATOM 792 N PRO A 52 -23.356 35.466 -24.754 1.00 0.00 N ATOM 793 CA PRO A 52 -24.357 36.172 -23.967 1.00 0.00 C ATOM 794 C PRO A 52 -23.701 37.086 -22.911 1.00 0.00 C ATOM 795 O PRO A 52 -22.605 36.821 -22.422 1.00 0.00 O ATOM 796 CB PRO A 52 -25.205 35.064 -23.340 1.00 0.00 C ATOM 797 CG PRO A 52 -24.245 33.883 -23.212 1.00 0.00 C ATOM 798 CD PRO A 52 -23.230 34.086 -24.328 1.00 0.00 C ATOM 0 HA PRO A 52 -24.966 36.845 -24.571 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.598 35.365 -22.369 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.061 34.815 -23.967 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.762 33.870 -22.235 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.769 32.933 -23.321 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.219 33.880 -23.975 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.424 33.405 -25.157 1.00 0.00 H new ATOM 806 N GLY A 53 -24.391 38.166 -22.532 1.00 0.00 N ATOM 807 CA GLY A 53 -23.966 39.126 -21.495 1.00 0.00 C ATOM 808 C GLY A 53 -23.533 38.501 -20.157 1.00 0.00 C ATOM 809 O GLY A 53 -22.673 39.055 -19.468 1.00 0.00 O ATOM 0 H GLY A 53 -25.290 38.409 -22.948 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.137 39.715 -21.887 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.787 39.817 -21.305 1.00 0.00 H new ATOM 813 N THR A 54 -24.095 37.347 -19.786 1.00 0.00 N ATOM 814 CA THR A 54 -23.691 36.566 -18.609 1.00 0.00 C ATOM 815 C THR A 54 -23.719 35.049 -18.855 1.00 0.00 C ATOM 816 O THR A 54 -24.386 34.569 -19.776 1.00 0.00 O ATOM 817 CB THR A 54 -24.620 36.849 -17.408 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.958 36.507 -17.718 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.678 38.320 -17.011 1.00 0.00 C ATOM 0 H THR A 54 -24.861 36.919 -20.306 1.00 0.00 H new ATOM 0 HA THR A 54 -22.668 36.877 -18.399 1.00 0.00 H new ATOM 0 HB THR A 54 -24.199 36.254 -16.597 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.531 36.692 -16.944 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.350 38.441 -16.161 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.680 38.662 -16.737 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.046 38.909 -17.851 1.00 0.00 H new ATOM 827 N TRP A 55 -23.001 34.282 -18.022 1.00 0.00 N ATOM 828 CA TRP A 55 -22.891 32.819 -18.108 1.00 0.00 C ATOM 829 C TRP A 55 -22.495 32.175 -16.765 1.00 0.00 C ATOM 830 O TRP A 55 -21.754 32.763 -15.975 1.00 0.00 O ATOM 831 CB TRP A 55 -21.857 32.462 -19.181 1.00 0.00 C ATOM 832 CG TRP A 55 -21.847 31.024 -19.591 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.070 30.068 -19.046 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.641 30.348 -20.613 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.282 28.865 -19.683 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.251 28.974 -20.657 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.644 30.762 -21.515 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.820 28.063 -21.560 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.227 29.855 -22.422 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.815 28.509 -22.448 1.00 0.00 C ATOM 0 H TRP A 55 -22.465 34.674 -17.248 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.872 32.424 -18.371 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.043 33.075 -20.063 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.866 32.727 -18.812 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.381 30.222 -18.229 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.785 28.002 -19.462 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.970 31.792 -21.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.498 27.032 -21.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.995 30.194 -23.102 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.263 27.820 -23.149 1.00 0.00 H new ATOM 851 N LEU A 56 -22.961 30.952 -16.488 1.00 0.00 N ATOM 852 CA LEU A 56 -22.648 30.217 -15.256 1.00 0.00 C ATOM 853 C LEU A 56 -21.169 29.779 -15.212 1.00 0.00 C ATOM 854 O LEU A 56 -20.681 29.080 -16.102 1.00 0.00 O ATOM 855 CB LEU A 56 -23.609 29.020 -15.122 1.00 0.00 C ATOM 856 CG LEU A 56 -24.231 28.868 -13.725 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.339 27.817 -13.757 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.205 28.425 -12.687 1.00 0.00 C ATOM 0 H LEU A 56 -23.574 30.438 -17.121 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.792 30.878 -14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.409 29.126 -15.855 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.070 28.106 -15.369 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.623 29.847 -13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.774 27.716 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.112 28.124 -14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.923 26.859 -14.070 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.689 28.330 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.785 27.462 -12.978 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.407 29.165 -12.625 1.00 0.00 H new ATOM 870 N CYS A 57 -20.458 30.174 -14.158 1.00 0.00 N ATOM 871 CA CYS A 57 -19.038 29.884 -13.961 1.00 0.00 C ATOM 872 C CYS A 57 -18.806 28.558 -13.230 1.00 0.00 C ATOM 873 O CYS A 57 -19.704 27.998 -12.595 1.00 0.00 O ATOM 874 CB CYS A 57 -18.385 31.048 -13.211 1.00 0.00 C ATOM 875 SG CYS A 57 -18.265 32.472 -14.313 1.00 0.00 S ATOM 0 H CYS A 57 -20.864 30.719 -13.397 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.575 29.774 -14.942 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.973 31.304 -12.330 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.394 30.760 -12.860 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.713 33.465 -13.681 1.00 0.00 H new ATOM 881 N ARG A 58 -17.555 28.083 -13.264 1.00 0.00 N ATOM 882 CA ARG A 58 -17.152 26.772 -12.726 1.00 0.00 C ATOM 883 C ARG A 58 -17.255 26.705 -11.191 1.00 0.00 C ATOM 884 O ARG A 58 -17.414 25.618 -10.641 1.00 0.00 O ATOM 885 CB ARG A 58 -15.724 26.414 -13.194 1.00 0.00 C ATOM 886 CG ARG A 58 -15.478 26.181 -14.702 1.00 0.00 C ATOM 887 CD ARG A 58 -15.945 27.300 -15.650 1.00 0.00 C ATOM 888 NE ARG A 58 -15.297 27.249 -16.975 1.00 0.00 N ATOM 889 CZ ARG A 58 -15.541 26.427 -17.977 1.00 0.00 C ATOM 890 NH1 ARG A 58 -16.362 25.423 -17.925 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.944 26.603 -19.109 1.00 0.00 N ATOM 0 H ARG A 58 -16.780 28.605 -13.672 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.852 26.035 -13.120 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.059 27.214 -12.870 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.419 25.511 -12.665 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.410 26.027 -14.855 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.978 25.257 -14.991 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.025 27.231 -15.778 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.740 28.266 -15.190 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.564 27.940 -17.137 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.872 25.225 -17.064 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.497 24.832 -18.745 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.287 27.375 -19.225 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.129 25.970 -19.887 1.00 0.00 H new ATOM 905 N ASN A 59 -17.260 27.863 -10.519 1.00 0.00 N ATOM 906 CA ASN A 59 -17.542 28.008 -9.082 1.00 0.00 C ATOM 907 C ASN A 59 -18.996 27.621 -8.701 1.00 0.00 C ATOM 908 O ASN A 59 -19.304 27.377 -7.534 1.00 0.00 O ATOM 909 CB ASN A 59 -17.249 29.476 -8.722 1.00 0.00 C ATOM 910 CG ASN A 59 -17.467 29.885 -7.271 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.288 29.123 -6.333 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.802 31.138 -7.043 1.00 0.00 N ATOM 0 H ASN A 59 -17.062 28.754 -10.973 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.912 27.320 -8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.212 29.689 -8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.873 30.111 -9.351 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.911 31.470 -6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.952 31.776 -7.824 1.00 0.00 H new ATOM 919 N GLY A 60 -19.896 27.553 -9.686 1.00 0.00 N ATOM 920 CA GLY A 60 -21.328 27.297 -9.506 1.00 0.00 C ATOM 921 C GLY A 60 -22.163 28.569 -9.313 1.00 0.00 C ATOM 922 O GLY A 60 -23.319 28.474 -8.895 1.00 0.00 O ATOM 0 H GLY A 60 -19.639 27.679 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.703 26.755 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.466 26.648 -8.641 1.00 0.00 H new ATOM 926 N MET A 61 -21.599 29.749 -9.610 1.00 0.00 N ATOM 927 CA MET A 61 -22.283 31.044 -9.549 1.00 0.00 C ATOM 928 C MET A 61 -22.428 31.671 -10.941 1.00 0.00 C ATOM 929 O MET A 61 -21.572 31.494 -11.810 1.00 0.00 O ATOM 930 CB MET A 61 -21.529 31.966 -8.572 1.00 0.00 C ATOM 931 CG MET A 61 -22.331 33.213 -8.167 1.00 0.00 C ATOM 932 SD MET A 61 -23.988 32.883 -7.496 1.00 0.00 S ATOM 933 CE MET A 61 -24.593 34.576 -7.270 1.00 0.00 C ATOM 0 H MET A 61 -20.627 29.828 -9.907 1.00 0.00 H new ATOM 0 HA MET A 61 -23.297 30.898 -9.178 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.273 31.401 -7.676 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.591 32.279 -9.030 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.759 33.767 -7.423 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.432 33.860 -9.039 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.639 34.551 -6.964 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.002 35.074 -6.501 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.502 35.123 -8.208 1.00 0.00 H new ATOM 943 N GLU A 62 -23.497 32.434 -11.154 1.00 0.00 N ATOM 944 CA GLU A 62 -23.710 33.233 -12.365 1.00 0.00 C ATOM 945 C GLU A 62 -22.638 34.330 -12.504 1.00 0.00 C ATOM 946 O GLU A 62 -22.568 35.271 -11.710 1.00 0.00 O ATOM 947 CB GLU A 62 -25.156 33.762 -12.438 1.00 0.00 C ATOM 948 CG GLU A 62 -25.654 34.555 -11.217 1.00 0.00 C ATOM 949 CD GLU A 62 -27.136 34.944 -11.389 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.425 36.024 -11.962 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.025 34.175 -10.948 1.00 0.00 O ATOM 0 H GLU A 62 -24.256 32.518 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.588 32.588 -13.235 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.243 34.399 -13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.823 32.914 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.532 33.957 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.049 35.453 -11.089 1.00 0.00 H new ATOM 958 N GLY A 63 -21.751 34.166 -13.489 1.00 0.00 N ATOM 959 CA GLY A 63 -20.715 35.135 -13.837 1.00 0.00 C ATOM 960 C GLY A 63 -21.190 36.151 -14.878 1.00 0.00 C ATOM 961 O GLY A 63 -21.953 35.813 -15.784 1.00 0.00 O ATOM 0 H GLY A 63 -21.735 33.334 -14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.398 35.662 -12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.842 34.607 -14.221 1.00 0.00 H new ATOM 965 N THR A 64 -20.690 37.385 -14.803 1.00 0.00 N ATOM 966 CA THR A 64 -20.954 38.436 -15.802 1.00 0.00 C ATOM 967 C THR A 64 -19.736 38.698 -16.675 1.00 0.00 C ATOM 968 O THR A 64 -18.613 38.709 -16.178 1.00 0.00 O ATOM 969 CB THR A 64 -21.416 39.743 -15.144 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.572 39.506 -14.366 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.765 40.841 -16.157 1.00 0.00 C ATOM 0 H THR A 64 -20.084 37.692 -14.042 1.00 0.00 H new ATOM 0 HA THR A 64 -21.761 38.067 -16.435 1.00 0.00 H new ATOM 0 HB THR A 64 -20.578 40.085 -14.537 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.862 40.343 -13.947 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.084 41.738 -15.626 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.888 41.070 -16.762 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.572 40.496 -16.804 1.00 0.00 H new ATOM 979 N LEU A 65 -19.960 38.903 -17.974 1.00 0.00 N ATOM 980 CA LEU A 65 -18.924 39.084 -18.991 1.00 0.00 C ATOM 981 C LEU A 65 -18.021 40.304 -18.706 1.00 0.00 C ATOM 982 O LEU A 65 -18.511 41.433 -18.614 1.00 0.00 O ATOM 983 CB LEU A 65 -19.651 39.181 -20.347 1.00 0.00 C ATOM 984 CG LEU A 65 -18.736 39.138 -21.579 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.230 37.736 -21.843 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.503 39.608 -22.817 1.00 0.00 C ATOM 0 H LEU A 65 -20.903 38.949 -18.360 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.235 38.239 -18.991 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.368 38.363 -20.417 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.223 40.109 -20.370 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.889 39.794 -21.378 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.585 37.741 -22.722 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.664 37.385 -20.980 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.076 37.071 -22.017 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.846 39.574 -23.686 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.360 38.955 -22.984 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.850 40.630 -22.664 1.00 0.00 H new ATOM 998 N ILE A 66 -16.706 40.078 -18.600 1.00 0.00 N ATOM 999 CA ILE A 66 -15.667 41.113 -18.400 1.00 0.00 C ATOM 1000 C ILE A 66 -14.516 40.986 -19.412 1.00 0.00 C ATOM 1001 O ILE A 66 -14.242 39.907 -19.939 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.110 41.153 -16.949 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.215 39.959 -16.532 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.222 41.394 -15.918 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.835 38.585 -16.664 1.00 0.00 C ATOM 0 H ILE A 66 -16.315 39.137 -18.652 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.175 42.061 -18.576 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.435 42.008 -16.959 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.306 39.985 -17.134 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.914 40.102 -15.494 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.792 41.415 -14.917 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.709 42.347 -16.124 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.956 40.591 -15.980 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.117 37.830 -16.344 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.726 38.526 -16.039 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.109 38.408 -17.704 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.812 42.093 -19.658 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.561 42.109 -20.432 1.00 0.00 C ATOM 1019 C GLU A 67 -11.377 41.583 -19.599 1.00 0.00 C ATOM 1020 O GLU A 67 -11.276 41.835 -18.395 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.268 43.524 -20.958 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.313 44.005 -21.973 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.956 45.405 -22.511 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.349 46.420 -21.884 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.288 45.506 -23.569 1.00 0.00 O ATOM 0 H GLU A 67 -14.094 43.014 -19.324 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.689 41.442 -21.284 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.235 44.220 -20.119 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.282 43.538 -21.423 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.374 43.298 -22.800 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.296 44.032 -21.503 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.466 40.860 -20.252 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.295 40.226 -19.637 1.00 0.00 C ATOM 1034 C GLY A 68 -8.459 39.469 -20.671 1.00 0.00 C ATOM 1035 O GLY A 68 -8.267 38.257 -20.562 1.00 0.00 O ATOM 0 H GLY A 68 -10.523 40.693 -21.257 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.679 40.986 -19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.620 39.538 -18.857 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.045 40.174 -21.725 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.624 39.637 -23.008 1.00 0.00 C ATOM 1041 C ASP A 69 -6.125 39.865 -23.282 1.00 0.00 C ATOM 1042 O ASP A 69 -5.365 40.416 -22.479 1.00 0.00 O ATOM 1043 CB ASP A 69 -8.520 40.282 -24.086 1.00 0.00 C ATOM 1044 CG ASP A 69 -9.994 39.888 -23.921 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -10.725 40.547 -23.143 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -10.411 38.902 -24.572 1.00 0.00 O ATOM 0 H ASP A 69 -7.994 41.192 -21.699 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.743 38.554 -23.015 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.427 41.367 -24.033 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.173 39.980 -25.074 1.00 0.00 H new ATOM 1051 N LEU A 70 -5.724 39.404 -24.461 1.00 0.00 N ATOM 1052 CA LEU A 70 -4.368 39.405 -25.030 1.00 0.00 C ATOM 1053 C LEU A 70 -4.278 40.377 -26.232 1.00 0.00 C ATOM 1054 O LEU A 70 -5.308 40.673 -26.848 1.00 0.00 O ATOM 1055 CB LEU A 70 -4.000 37.961 -25.454 1.00 0.00 C ATOM 1056 CG LEU A 70 -3.486 36.981 -24.389 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -2.136 37.433 -23.843 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -4.474 36.759 -23.249 1.00 0.00 C ATOM 0 H LEU A 70 -6.393 38.982 -25.105 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.658 39.751 -24.279 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.884 37.517 -25.911 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.240 38.030 -26.232 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.368 36.021 -24.891 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.792 36.724 -23.090 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.412 37.479 -24.656 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.238 38.420 -23.392 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.050 36.057 -22.531 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.676 37.708 -22.752 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.404 36.353 -23.647 1.00 0.00 H new ATOM 1070 N PRO A 71 -3.073 40.850 -26.617 1.00 0.00 N ATOM 1071 CA PRO A 71 -2.903 41.771 -27.745 1.00 0.00 C ATOM 1072 C PRO A 71 -3.140 41.112 -29.118 1.00 0.00 C ATOM 1073 O PRO A 71 -3.757 41.730 -29.987 1.00 0.00 O ATOM 1074 CB PRO A 71 -1.483 42.328 -27.604 1.00 0.00 C ATOM 1075 CG PRO A 71 -0.730 41.230 -26.853 1.00 0.00 C ATOM 1076 CD PRO A 71 -1.801 40.642 -25.937 1.00 0.00 C ATOM 0 HA PRO A 71 -3.653 42.561 -27.711 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.034 42.527 -28.577 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.475 43.267 -27.051 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.325 40.481 -27.533 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.109 41.632 -26.286 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.623 39.581 -25.760 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.794 41.133 -24.964 1.00 0.00 H new ATOM 1084 N GLU A 72 -2.686 39.867 -29.326 1.00 0.00 N ATOM 1085 CA GLU A 72 -2.861 39.123 -30.586 1.00 0.00 C ATOM 1086 C GLU A 72 -3.164 37.604 -30.429 1.00 0.00 C ATOM 1087 O GLU A 72 -2.451 36.758 -30.983 1.00 0.00 O ATOM 1088 CB GLU A 72 -1.627 39.421 -31.461 1.00 0.00 C ATOM 1089 CG GLU A 72 -0.260 39.033 -30.866 1.00 0.00 C ATOM 1090 CD GLU A 72 0.877 39.369 -31.850 1.00 0.00 C ATOM 1091 OE1 GLU A 72 1.419 40.501 -31.798 1.00 0.00 O ATOM 1092 OE2 GLU A 72 1.248 38.504 -32.681 1.00 0.00 O ATOM 0 H GLU A 72 -2.180 39.340 -28.615 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.771 39.472 -31.074 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.747 38.900 -32.411 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.614 40.488 -31.682 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.103 39.563 -29.926 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.247 37.967 -30.637 1.00 0.00 H new ATOM 1099 N PRO A 73 -4.267 37.220 -29.753 1.00 0.00 N ATOM 1100 CA PRO A 73 -4.758 35.837 -29.698 1.00 0.00 C ATOM 1101 C PRO A 73 -5.443 35.385 -31.004 1.00 0.00 C ATOM 1102 O PRO A 73 -5.920 36.200 -31.799 1.00 0.00 O ATOM 1103 CB PRO A 73 -5.733 35.804 -28.513 1.00 0.00 C ATOM 1104 CG PRO A 73 -6.285 37.229 -28.488 1.00 0.00 C ATOM 1105 CD PRO A 73 -5.058 38.050 -28.860 1.00 0.00 C ATOM 0 HA PRO A 73 -3.930 35.140 -29.573 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.523 35.067 -28.659 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.228 35.549 -27.581 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.098 37.364 -29.201 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.674 37.499 -27.506 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.346 38.981 -29.348 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.487 38.320 -27.972 1.00 0.00 H new ATOM 1113 N LYS A 74 -5.561 34.062 -31.189 1.00 0.00 N ATOM 1114 CA LYS A 74 -6.197 33.399 -32.353 1.00 0.00 C ATOM 1115 C LYS A 74 -7.702 33.098 -32.187 1.00 0.00 C ATOM 1116 O LYS A 74 -8.260 32.276 -32.914 1.00 0.00 O ATOM 1117 CB LYS A 74 -5.358 32.176 -32.779 1.00 0.00 C ATOM 1118 CG LYS A 74 -5.329 31.043 -31.734 1.00 0.00 C ATOM 1119 CD LYS A 74 -4.526 29.822 -32.211 1.00 0.00 C ATOM 1120 CE LYS A 74 -3.019 30.114 -32.276 1.00 0.00 C ATOM 1121 NZ LYS A 74 -2.245 28.915 -32.692 1.00 0.00 N ATOM 0 H LYS A 74 -5.204 33.392 -30.508 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.194 34.118 -33.173 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.755 31.783 -33.715 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.336 32.500 -32.977 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.896 31.419 -30.807 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.350 30.736 -31.507 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.704 28.985 -31.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.879 29.518 -33.196 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.836 30.927 -32.978 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.671 30.451 -31.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.232 29.150 -32.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.400 28.147 -32.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.560 28.608 -33.635 1.00 0.00 H new ATOM 1135 N LYS A 75 -8.368 33.760 -31.234 1.00 0.00 N ATOM 1136 CA LYS A 75 -9.770 33.554 -30.796 1.00 0.00 C ATOM 1137 C LYS A 75 -10.836 34.132 -31.753 1.00 0.00 C ATOM 1138 O LYS A 75 -11.817 34.745 -31.327 1.00 0.00 O ATOM 1139 CB LYS A 75 -9.899 34.032 -29.333 1.00 0.00 C ATOM 1140 CG LYS A 75 -9.722 35.555 -29.143 1.00 0.00 C ATOM 1141 CD LYS A 75 -9.506 35.945 -27.673 1.00 0.00 C ATOM 1142 CE LYS A 75 -10.832 35.982 -26.913 1.00 0.00 C ATOM 1143 NZ LYS A 75 -10.631 36.328 -25.485 1.00 0.00 N ATOM 0 H LYS A 75 -7.918 34.508 -30.706 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.993 32.488 -30.838 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.879 33.742 -28.954 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.156 33.513 -28.727 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.872 35.895 -29.734 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.603 36.070 -29.526 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.832 35.231 -27.200 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.025 36.922 -27.620 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.497 36.712 -27.375 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.322 35.011 -26.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.319 35.810 -24.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.667 36.066 -25.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.766 37.351 -25.353 1.00 0.00 H new ATOM 1157 N VAL A 76 -10.615 33.990 -33.060 1.00 0.00 N ATOM 1158 CA VAL A 76 -11.386 34.663 -34.124 1.00 0.00 C ATOM 1159 C VAL A 76 -12.748 34.010 -34.395 1.00 0.00 C ATOM 1160 O VAL A 76 -12.903 32.789 -34.315 1.00 0.00 O ATOM 1161 CB VAL A 76 -10.571 34.802 -35.428 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -9.331 35.676 -35.204 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -10.125 33.462 -36.028 1.00 0.00 C ATOM 0 H VAL A 76 -9.876 33.389 -33.425 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.592 35.664 -33.744 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.250 35.270 -36.141 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.772 35.760 -36.136 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.640 36.668 -34.875 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.699 35.222 -34.441 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.558 33.643 -36.941 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.498 32.933 -35.311 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.002 32.857 -36.259 1.00 0.00 H new ATOM 1173 N LYS A 77 -13.735 34.837 -34.763 1.00 0.00 N ATOM 1174 CA LYS A 77 -15.066 34.403 -35.221 1.00 0.00 C ATOM 1175 C LYS A 77 -15.017 33.778 -36.632 1.00 0.00 C ATOM 1176 O LYS A 77 -14.153 34.159 -37.429 1.00 0.00 O ATOM 1177 CB LYS A 77 -16.036 35.602 -35.218 1.00 0.00 C ATOM 1178 CG LYS A 77 -16.383 36.102 -33.808 1.00 0.00 C ATOM 1179 CD LYS A 77 -17.436 37.219 -33.878 1.00 0.00 C ATOM 1180 CE LYS A 77 -17.916 37.605 -32.473 1.00 0.00 C ATOM 1181 NZ LYS A 77 -19.144 38.442 -32.530 1.00 0.00 N ATOM 0 H LYS A 77 -13.630 35.852 -34.751 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.418 33.636 -34.531 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.593 36.420 -35.787 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -16.955 35.318 -35.731 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.760 35.276 -33.205 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.484 36.472 -33.315 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.014 38.092 -34.375 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.283 36.889 -34.479 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.115 36.703 -31.894 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.127 38.149 -31.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.414 38.728 -31.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.960 39.289 -33.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.918 37.894 -32.958 1.00 0.00 H new ATOM 1195 N PRO A 78 -15.960 32.883 -36.984 1.00 0.00 N ATOM 1196 CA PRO A 78 -16.216 32.498 -38.376 1.00 0.00 C ATOM 1197 C PRO A 78 -16.848 33.666 -39.170 1.00 0.00 C ATOM 1198 O PRO A 78 -17.324 34.633 -38.564 1.00 0.00 O ATOM 1199 CB PRO A 78 -17.185 31.313 -38.274 1.00 0.00 C ATOM 1200 CG PRO A 78 -18.015 31.677 -37.046 1.00 0.00 C ATOM 1201 CD PRO A 78 -16.984 32.313 -36.117 1.00 0.00 C ATOM 0 HA PRO A 78 -15.300 32.239 -38.907 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -17.802 31.214 -39.167 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.659 30.367 -38.144 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -18.819 32.370 -37.292 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.478 30.799 -36.596 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -17.441 33.083 -35.495 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.556 31.571 -35.443 1.00 0.00 H new ATOM 1209 N PRO A 79 -16.922 33.589 -40.514 1.00 0.00 N ATOM 1210 CA PRO A 79 -17.753 34.500 -41.303 1.00 0.00 C ATOM 1211 C PRO A 79 -19.243 34.350 -40.931 1.00 0.00 C ATOM 1212 O PRO A 79 -19.766 33.233 -40.853 1.00 0.00 O ATOM 1213 CB PRO A 79 -17.473 34.145 -42.767 1.00 0.00 C ATOM 1214 CG PRO A 79 -17.052 32.675 -42.708 1.00 0.00 C ATOM 1215 CD PRO A 79 -16.315 32.580 -41.373 1.00 0.00 C ATOM 0 HA PRO A 79 -17.516 35.546 -41.110 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -18.357 34.284 -43.389 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.686 34.771 -43.188 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.913 32.007 -42.742 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.407 32.406 -43.545 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.416 31.585 -40.940 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.248 32.765 -41.501 1.00 0.00 H new ATOM 1223 N ARG A 80 -19.921 35.481 -40.692 1.00 0.00 N ATOM 1224 CA ARG A 80 -21.334 35.585 -40.268 1.00 0.00 C ATOM 1225 C ARG A 80 -22.065 36.714 -41.008 1.00 0.00 C ATOM 1226 O ARG A 80 -21.496 37.825 -41.129 1.00 0.00 O ATOM 1227 CB ARG A 80 -21.426 35.784 -38.739 1.00 0.00 C ATOM 1228 CG ARG A 80 -21.017 34.536 -37.935 1.00 0.00 C ATOM 1229 CD ARG A 80 -21.141 34.772 -36.424 1.00 0.00 C ATOM 1230 NE ARG A 80 -20.788 33.559 -35.657 1.00 0.00 N ATOM 1231 CZ ARG A 80 -20.058 33.499 -34.561 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -19.587 34.541 -33.959 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -19.772 32.371 -34.000 1.00 0.00 N ATOM 1234 OXT ARG A 80 -23.200 36.476 -41.476 1.00 0.00 O ATOM 0 H ARG A 80 -19.482 36.396 -40.793 1.00 0.00 H new ATOM 0 HA ARG A 80 -21.829 34.649 -40.529 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -20.788 36.619 -38.450 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -22.448 36.058 -38.476 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -21.645 33.694 -38.225 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -19.989 34.266 -38.179 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -20.489 35.594 -36.128 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -22.161 35.072 -36.184 1.00 0.00 H new ATOM 0 HE ARG A 80 -21.148 32.674 -36.014 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.775 35.473 -34.330 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.028 34.432 -33.113 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.113 31.499 -34.405 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.205 32.352 -33.152 1.00 0.00 H new TER 1248 ARG A 80