USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 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 20 SER OG : rot 81:sc= 0.803 USER MOD Set 1.2: A 28 SER OG : rot 116:sc= 1.06 USER MOD Single : A 5 SER OG : rot 180:sc= -1.35 USER MOD Single : A 15 TYR OH : rot 112:sc= -0.744! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.094) USER MOD Single : A 25 CYS SG : rot 108:sc= -0.498 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 171:sc= 0 (180deg=-0.134) USER MOD Single : A 34 SER OG : rot 120:sc= 0.314 USER MOD Single : A 46 GLN : amide:sc=-0.00332 X(o=-0.0033,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.0109 K(o=0.011,f=-0.67) USER MOD Single : A 54 ASN : amide:sc=-0.00183 X(o=-0.0018,f=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0046) USER MOD Single : A 59 SER OG : rot 133:sc= 0.148 USER MOD Single : A 60 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-2.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -86:sc= 1.04 USER MOD Single : A 71 SER OG : rot 180:sc= 0.114 USER MOD Single : A 75 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.34) USER MOD Single : A 76 MET CE :methyl -164:sc= -3.04! (180deg=-3.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -0.248 -6.467 -15.695 1.00 0.00 N ATOM 2 CA PRO A 1 -0.812 -5.741 -16.872 1.00 0.00 C ATOM 3 C PRO A 1 -0.333 -4.287 -16.940 1.00 0.00 C ATOM 4 O PRO A 1 0.307 -3.887 -17.911 1.00 0.00 O ATOM 5 CB PRO A 1 -2.332 -5.793 -16.766 1.00 0.00 C ATOM 6 CG PRO A 1 -2.592 -6.375 -15.418 1.00 0.00 C ATOM 7 CD PRO A 1 -1.368 -7.182 -15.054 1.00 0.00 C ATOM 0 H2 PRO A 1 0.185 -5.814 -15.042 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.478 -7.121 -15.988 1.00 0.00 H new ATOM 0 HA PRO A 1 -0.467 -6.223 -17.787 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.771 -4.800 -16.861 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -2.764 -6.409 -17.555 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -2.770 -5.589 -14.684 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -3.481 -7.005 -15.433 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.237 -7.238 -13.973 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -1.445 -8.206 -15.419 1.00 0.00 H new ATOM 17 N ARG A 2 -0.654 -3.502 -15.905 1.00 0.00 N ATOM 18 CA ARG A 2 -0.257 -2.093 -15.859 1.00 0.00 C ATOM 19 C ARG A 2 0.861 -1.856 -14.835 1.00 0.00 C ATOM 20 O ARG A 2 1.840 -1.184 -15.146 1.00 0.00 O ATOM 21 CB ARG A 2 -1.465 -1.206 -15.535 1.00 0.00 C ATOM 22 CG ARG A 2 -1.791 -0.186 -16.621 1.00 0.00 C ATOM 23 CD ARG A 2 -2.102 -0.854 -17.954 1.00 0.00 C ATOM 24 NE ARG A 2 -3.275 -0.266 -18.606 1.00 0.00 N ATOM 25 CZ ARG A 2 -4.540 -0.526 -18.251 1.00 0.00 C ATOM 26 NH1 ARG A 2 -4.803 -1.351 -17.238 1.00 0.00 N ATOM 27 NH2 ARG A 2 -5.543 0.047 -18.909 1.00 0.00 N ATOM 0 H ARG A 2 -1.185 -3.818 -15.093 1.00 0.00 H new ATOM 0 HA ARG A 2 0.127 -1.827 -16.844 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.336 -1.841 -15.373 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.276 -0.679 -14.600 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.644 0.416 -16.309 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.949 0.495 -16.744 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.239 -0.765 -18.614 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.272 -1.919 -17.794 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.118 0.382 -19.378 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.038 -1.790 -16.726 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.769 -1.543 -16.975 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.348 0.683 -19.682 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.507 -0.149 -18.641 1.00 0.00 H new ATOM 41 N VAL A 3 0.694 -2.414 -13.621 1.00 0.00 N ATOM 42 CA VAL A 3 1.663 -2.287 -12.515 1.00 0.00 C ATOM 43 C VAL A 3 2.189 -0.849 -12.350 1.00 0.00 C ATOM 44 O VAL A 3 3.066 -0.397 -13.090 1.00 0.00 O ATOM 45 CB VAL A 3 2.842 -3.288 -12.664 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.512 -3.182 -14.029 1.00 0.00 C ATOM 47 CG2 VAL A 3 3.861 -3.094 -11.550 1.00 0.00 C ATOM 0 H VAL A 3 -0.125 -2.971 -13.378 1.00 0.00 H new ATOM 0 HA VAL A 3 1.116 -2.538 -11.606 1.00 0.00 H new ATOM 0 HB VAL A 3 2.424 -4.292 -12.583 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.330 -3.899 -14.089 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.783 -3.397 -14.810 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.903 -2.174 -14.165 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.677 -3.806 -11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.256 -2.079 -11.591 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.381 -3.258 -10.585 1.00 0.00 H new ATOM 57 N ARG A 4 1.639 -0.137 -11.363 1.00 0.00 N ATOM 58 CA ARG A 4 2.031 1.245 -11.091 1.00 0.00 C ATOM 59 C ARG A 4 2.538 1.419 -9.654 1.00 0.00 C ATOM 60 O ARG A 4 2.059 0.760 -8.733 1.00 0.00 O ATOM 61 CB ARG A 4 0.833 2.165 -11.344 1.00 0.00 C ATOM 62 CG ARG A 4 1.087 3.627 -11.013 1.00 0.00 C ATOM 63 CD ARG A 4 2.105 4.247 -11.960 1.00 0.00 C ATOM 64 NE ARG A 4 1.625 5.510 -12.526 1.00 0.00 N ATOM 65 CZ ARG A 4 0.784 5.596 -13.561 1.00 0.00 C ATOM 66 NH1 ARG A 4 0.316 4.497 -14.148 1.00 0.00 N ATOM 67 NH2 ARG A 4 0.408 6.790 -14.010 1.00 0.00 N ATOM 0 H ARG A 4 0.918 -0.498 -10.738 1.00 0.00 H new ATOM 0 HA ARG A 4 2.851 1.508 -11.759 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.544 2.087 -12.392 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.012 1.812 -10.753 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.151 4.182 -11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.445 3.712 -9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.039 4.420 -11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.324 3.547 -12.767 1.00 0.00 H new ATOM 0 HE ARG A 4 1.953 6.378 -12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.599 3.578 -13.809 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.325 4.574 -14.937 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.761 7.637 -13.565 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.234 6.859 -14.800 1.00 0.00 H new ATOM 81 N SER A 5 3.505 2.327 -9.476 1.00 0.00 N ATOM 82 CA SER A 5 4.077 2.606 -8.157 1.00 0.00 C ATOM 83 C SER A 5 3.513 3.902 -7.572 1.00 0.00 C ATOM 84 O SER A 5 3.080 4.791 -8.309 1.00 0.00 O ATOM 85 CB SER A 5 5.603 2.707 -8.249 1.00 0.00 C ATOM 86 OG SER A 5 6.192 1.425 -8.387 1.00 0.00 O ATOM 0 H SER A 5 3.907 2.881 -10.232 1.00 0.00 H new ATOM 0 HA SER A 5 3.807 1.781 -7.497 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.879 3.331 -9.099 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.993 3.195 -7.356 1.00 0.00 H new ATOM 0 HG SER A 5 7.166 1.517 -8.445 1.00 0.00 H new ATOM 92 N VAL A 6 3.529 3.996 -6.240 1.00 0.00 N ATOM 93 CA VAL A 6 3.025 5.177 -5.535 1.00 0.00 C ATOM 94 C VAL A 6 3.916 5.537 -4.342 1.00 0.00 C ATOM 95 O VAL A 6 4.328 4.659 -3.577 1.00 0.00 O ATOM 96 CB VAL A 6 1.577 4.967 -5.026 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.998 6.269 -4.490 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.688 4.400 -6.126 1.00 0.00 C ATOM 0 H VAL A 6 3.887 3.265 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 6 3.035 5.993 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 6 1.611 4.245 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.019 6.097 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.612 6.627 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.986 7.016 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.323 4.262 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.665 5.092 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.085 3.440 -6.456 1.00 0.00 H new ATOM 108 N GLU A 7 4.201 6.833 -4.189 1.00 0.00 N ATOM 109 CA GLU A 7 5.034 7.323 -3.088 1.00 0.00 C ATOM 110 C GLU A 7 4.175 7.999 -2.019 1.00 0.00 C ATOM 111 O GLU A 7 3.610 9.069 -2.255 1.00 0.00 O ATOM 112 CB GLU A 7 6.083 8.309 -3.611 1.00 0.00 C ATOM 113 CG GLU A 7 7.188 7.657 -4.427 1.00 0.00 C ATOM 114 CD GLU A 7 8.446 8.504 -4.492 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.364 9.659 -4.960 1.00 0.00 O ATOM 116 OE2 GLU A 7 9.514 8.010 -4.075 1.00 0.00 O ATOM 0 H GLU A 7 3.866 7.564 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 7 5.541 6.468 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.587 9.061 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.529 8.832 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.430 6.687 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.826 7.473 -5.439 1.00 0.00 H new ATOM 123 N VAL A 8 4.076 7.370 -0.848 1.00 0.00 N ATOM 124 CA VAL A 8 3.279 7.916 0.251 1.00 0.00 C ATOM 125 C VAL A 8 4.166 8.531 1.334 1.00 0.00 C ATOM 126 O VAL A 8 4.997 7.846 1.936 1.00 0.00 O ATOM 127 CB VAL A 8 2.372 6.840 0.888 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.328 7.485 1.785 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.700 5.992 -0.185 1.00 0.00 C ATOM 0 H VAL A 8 4.536 6.485 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 8 2.651 8.695 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 8 2.997 6.187 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.698 6.712 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.825 8.043 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.711 8.163 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.067 5.242 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.090 6.630 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.462 5.497 -0.787 1.00 0.00 H new ATOM 139 N ALA A 9 3.976 9.829 1.578 1.00 0.00 N ATOM 140 CA ALA A 9 4.743 10.554 2.581 1.00 0.00 C ATOM 141 C ALA A 9 4.052 10.506 3.940 1.00 0.00 C ATOM 142 O ALA A 9 3.208 11.348 4.250 1.00 0.00 O ATOM 143 CB ALA A 9 4.949 11.998 2.144 1.00 0.00 C ATOM 0 H ALA A 9 3.289 10.401 1.086 1.00 0.00 H new ATOM 0 HA ALA A 9 5.716 10.072 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.524 12.529 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.490 12.018 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.980 12.482 2.018 1.00 0.00 H new ATOM 149 N ARG A 10 4.421 9.511 4.745 1.00 0.00 N ATOM 150 CA ARG A 10 3.845 9.336 6.081 1.00 0.00 C ATOM 151 C ARG A 10 3.882 10.650 6.860 1.00 0.00 C ATOM 152 O ARG A 10 4.941 11.267 7.004 1.00 0.00 O ATOM 153 CB ARG A 10 4.599 8.250 6.858 1.00 0.00 C ATOM 154 CG ARG A 10 3.697 7.356 7.695 1.00 0.00 C ATOM 155 CD ARG A 10 4.504 6.384 8.542 1.00 0.00 C ATOM 156 NE ARG A 10 3.674 5.315 9.101 1.00 0.00 N ATOM 157 CZ ARG A 10 4.020 4.568 10.157 1.00 0.00 C ATOM 158 NH1 ARG A 10 5.188 4.755 10.768 1.00 0.00 N ATOM 159 NH2 ARG A 10 3.191 3.628 10.602 1.00 0.00 N ATOM 0 H ARG A 10 5.119 8.810 4.496 1.00 0.00 H new ATOM 0 HA ARG A 10 2.807 9.026 5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.155 7.632 6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.331 8.725 7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.072 7.972 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.026 6.799 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.296 5.946 7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.988 6.927 9.353 1.00 0.00 H new ATOM 0 HE ARG A 10 2.775 5.127 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.830 5.473 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.441 4.180 11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.295 3.478 10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.452 3.057 11.406 1.00 0.00 H new ATOM 173 N GLY A 11 2.718 11.077 7.346 1.00 0.00 N ATOM 174 CA GLY A 11 2.625 12.320 8.094 1.00 0.00 C ATOM 175 C GLY A 11 3.205 12.210 9.494 1.00 0.00 C ATOM 176 O GLY A 11 4.414 12.047 9.659 1.00 0.00 O ATOM 0 H GLY A 11 1.834 10.581 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.148 13.106 7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.579 12.621 8.161 1.00 0.00 H new ATOM 180 N ARG A 12 2.339 12.298 10.505 1.00 0.00 N ATOM 181 CA ARG A 12 2.774 12.204 11.901 1.00 0.00 C ATOM 182 C ARG A 12 2.194 10.967 12.581 1.00 0.00 C ATOM 183 O ARG A 12 2.880 10.304 13.361 1.00 0.00 O ATOM 184 CB ARG A 12 2.392 13.470 12.682 1.00 0.00 C ATOM 185 CG ARG A 12 0.929 13.869 12.559 1.00 0.00 C ATOM 186 CD ARG A 12 0.515 14.817 13.672 1.00 0.00 C ATOM 187 NE ARG A 12 -0.255 14.135 14.711 1.00 0.00 N ATOM 188 CZ ARG A 12 -1.537 13.780 14.582 1.00 0.00 C ATOM 189 NH1 ARG A 12 -2.197 14.025 13.451 1.00 0.00 N ATOM 190 NH2 ARG A 12 -2.158 13.169 15.587 1.00 0.00 N ATOM 0 H ARG A 12 1.335 12.434 10.385 1.00 0.00 H new ATOM 0 HA ARG A 12 3.860 12.113 11.899 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.626 13.317 13.735 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.012 14.297 12.335 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.761 14.345 11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.304 12.977 12.588 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.404 15.267 14.115 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.079 15.630 13.254 1.00 0.00 H new ATOM 0 HE ARG A 12 0.216 13.916 15.589 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.724 14.487 12.674 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.175 13.750 13.362 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.656 12.973 16.453 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.136 12.897 15.492 1.00 0.00 H new ATOM 204 N ALA A 13 0.933 10.656 12.279 1.00 0.00 N ATOM 205 CA ALA A 13 0.275 9.492 12.858 1.00 0.00 C ATOM 206 C ALA A 13 0.071 8.387 11.813 1.00 0.00 C ATOM 207 O ALA A 13 -0.888 7.616 11.893 1.00 0.00 O ATOM 208 CB ALA A 13 -1.055 9.894 13.485 1.00 0.00 C ATOM 0 H ALA A 13 0.351 11.195 11.638 1.00 0.00 H new ATOM 0 HA ALA A 13 0.923 9.092 13.638 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.536 9.015 13.914 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.880 10.630 14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.702 10.325 12.721 1.00 0.00 H new ATOM 214 N GLY A 14 0.981 8.315 10.836 1.00 0.00 N ATOM 215 CA GLY A 14 0.889 7.303 9.797 1.00 0.00 C ATOM 216 C GLY A 14 0.518 7.882 8.442 1.00 0.00 C ATOM 217 O GLY A 14 0.457 9.104 8.275 1.00 0.00 O ATOM 0 H GLY A 14 1.780 8.943 10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.844 6.784 9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.146 6.560 10.085 1.00 0.00 H new ATOM 221 N TYR A 15 0.275 6.999 7.471 1.00 0.00 N ATOM 222 CA TYR A 15 -0.090 7.421 6.118 1.00 0.00 C ATOM 223 C TYR A 15 -1.562 7.809 6.045 1.00 0.00 C ATOM 224 O TYR A 15 -1.901 8.953 5.739 1.00 0.00 O ATOM 225 CB TYR A 15 0.192 6.301 5.105 1.00 0.00 C ATOM 226 CG TYR A 15 1.635 5.846 5.072 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.620 6.635 4.490 1.00 0.00 C ATOM 228 CD2 TYR A 15 2.012 4.623 5.614 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.936 6.219 4.453 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.326 4.202 5.580 1.00 0.00 C ATOM 231 CZ TYR A 15 4.284 5.004 4.998 1.00 0.00 C ATOM 232 OH TYR A 15 5.594 4.591 4.962 1.00 0.00 O ATOM 0 H TYR A 15 0.324 5.988 7.597 1.00 0.00 H new ATOM 0 HA TYR A 15 0.518 8.291 5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.442 5.446 5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.092 6.645 4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.352 7.589 4.060 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.264 3.991 6.070 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.690 6.845 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.602 3.249 6.007 1.00 0.00 H new ATOM 0 HH TYR A 15 5.958 4.577 5.872 1.00 0.00 H new ATOM 242 N GLY A 16 -2.429 6.840 6.322 1.00 0.00 N ATOM 243 CA GLY A 16 -3.862 7.076 6.284 1.00 0.00 C ATOM 244 C GLY A 16 -4.566 6.198 5.271 1.00 0.00 C ATOM 245 O GLY A 16 -5.215 6.697 4.351 1.00 0.00 O ATOM 0 H GLY A 16 -2.162 5.888 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.283 6.895 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.049 8.123 6.045 1.00 0.00 H new ATOM 249 N PHE A 17 -4.442 4.886 5.445 1.00 0.00 N ATOM 250 CA PHE A 17 -5.078 3.925 4.546 1.00 0.00 C ATOM 251 C PHE A 17 -5.358 2.607 5.265 1.00 0.00 C ATOM 252 O PHE A 17 -4.645 2.233 6.200 1.00 0.00 O ATOM 253 CB PHE A 17 -4.216 3.684 3.295 1.00 0.00 C ATOM 254 CG PHE A 17 -2.878 3.047 3.567 1.00 0.00 C ATOM 255 CD1 PHE A 17 -2.780 1.693 3.854 1.00 0.00 C ATOM 256 CD2 PHE A 17 -1.716 3.802 3.530 1.00 0.00 C ATOM 257 CE1 PHE A 17 -1.552 1.108 4.100 1.00 0.00 C ATOM 258 CE2 PHE A 17 -0.486 3.221 3.775 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.403 1.874 4.062 1.00 0.00 C ATOM 0 H PHE A 17 -3.906 4.462 6.202 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.030 4.349 4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.772 3.050 2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.054 4.638 2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.674 1.089 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.772 4.857 3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.491 0.053 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.411 3.822 3.742 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.557 1.420 4.256 1.00 0.00 H new ATOM 269 N THR A 18 -6.401 1.911 4.819 1.00 0.00 N ATOM 270 CA THR A 18 -6.787 0.636 5.410 1.00 0.00 C ATOM 271 C THR A 18 -6.242 -0.523 4.580 1.00 0.00 C ATOM 272 O THR A 18 -6.680 -0.752 3.448 1.00 0.00 O ATOM 273 CB THR A 18 -8.315 0.535 5.527 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.899 1.815 5.725 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.772 -0.356 6.663 1.00 0.00 C ATOM 0 H THR A 18 -6.995 2.212 4.047 1.00 0.00 H new ATOM 0 HA THR A 18 -6.359 0.579 6.411 1.00 0.00 H new ATOM 0 HB THR A 18 -8.642 0.096 4.584 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.872 1.723 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.861 -0.383 6.689 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.388 -1.365 6.512 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.396 0.037 7.608 1.00 0.00 H new ATOM 283 N LEU A 19 -5.283 -1.250 5.151 1.00 0.00 N ATOM 284 CA LEU A 19 -4.669 -2.387 4.474 1.00 0.00 C ATOM 285 C LEU A 19 -5.266 -3.700 4.964 1.00 0.00 C ATOM 286 O LEU A 19 -5.410 -3.919 6.169 1.00 0.00 O ATOM 287 CB LEU A 19 -3.154 -2.397 4.705 1.00 0.00 C ATOM 288 CG LEU A 19 -2.306 -2.860 3.515 1.00 0.00 C ATOM 289 CD1 LEU A 19 -0.833 -2.865 3.886 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.738 -4.243 3.049 1.00 0.00 C ATOM 0 H LEU A 19 -4.914 -1.069 6.085 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.869 -2.286 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.840 -1.391 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.938 -3.044 5.555 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.458 -2.159 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.244 -3.196 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.526 -1.859 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.671 -3.544 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.122 -4.551 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.617 -4.956 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.784 -4.214 2.744 1.00 0.00 H new ATOM 302 N SER A 20 -5.603 -4.571 4.019 1.00 0.00 N ATOM 303 CA SER A 20 -6.180 -5.873 4.336 1.00 0.00 C ATOM 304 C SER A 20 -5.794 -6.909 3.279 1.00 0.00 C ATOM 305 O SER A 20 -5.000 -6.622 2.381 1.00 0.00 O ATOM 306 CB SER A 20 -7.706 -5.767 4.439 1.00 0.00 C ATOM 307 OG SER A 20 -8.216 -4.808 3.530 1.00 0.00 O ATOM 0 H SER A 20 -5.486 -4.397 3.021 1.00 0.00 H new ATOM 0 HA SER A 20 -5.783 -6.198 5.298 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.155 -6.739 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.986 -5.493 5.456 1.00 0.00 H new ATOM 0 HG SER A 20 -8.286 -5.208 2.638 1.00 0.00 H new ATOM 313 N GLY A 21 -6.357 -8.108 3.394 1.00 0.00 N ATOM 314 CA GLY A 21 -6.063 -9.164 2.446 1.00 0.00 C ATOM 315 C GLY A 21 -5.185 -10.243 3.040 1.00 0.00 C ATOM 316 O GLY A 21 -3.962 -10.200 2.897 1.00 0.00 O ATOM 0 H GLY A 21 -7.014 -8.366 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.996 -9.608 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.570 -8.738 1.573 1.00 0.00 H new ATOM 320 N GLN A 22 -5.815 -11.208 3.713 1.00 0.00 N ATOM 321 CA GLN A 22 -5.095 -12.317 4.341 1.00 0.00 C ATOM 322 C GLN A 22 -4.028 -12.872 3.401 1.00 0.00 C ATOM 323 O GLN A 22 -2.835 -12.845 3.710 1.00 0.00 O ATOM 324 CB GLN A 22 -6.067 -13.430 4.747 1.00 0.00 C ATOM 325 CG GLN A 22 -5.707 -14.106 6.062 1.00 0.00 C ATOM 326 CD GLN A 22 -4.425 -14.911 5.967 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.452 -16.104 5.663 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.294 -14.264 6.226 1.00 0.00 N ATOM 0 H GLN A 22 -6.827 -11.243 3.837 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.605 -11.935 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.071 -13.013 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.095 -14.181 3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.601 -13.349 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.523 -14.762 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.318 -13.275 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.402 -14.756 6.177 1.00 0.00 H new ATOM 337 N ALA A 23 -4.470 -13.350 2.242 1.00 0.00 N ATOM 338 CA ALA A 23 -3.566 -13.891 1.235 1.00 0.00 C ATOM 339 C ALA A 23 -3.197 -12.808 0.219 1.00 0.00 C ATOM 340 O ALA A 23 -2.026 -12.458 0.082 1.00 0.00 O ATOM 341 CB ALA A 23 -4.185 -15.101 0.545 1.00 0.00 C ATOM 0 H ALA A 23 -5.455 -13.373 1.977 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.653 -14.223 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.492 -15.488 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.391 -15.875 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.115 -14.806 0.059 1.00 0.00 H new ATOM 347 N PRO A 24 -4.199 -12.246 -0.501 1.00 0.00 N ATOM 348 CA PRO A 24 -3.968 -11.191 -1.485 1.00 0.00 C ATOM 349 C PRO A 24 -3.996 -9.798 -0.856 1.00 0.00 C ATOM 350 O PRO A 24 -5.065 -9.206 -0.685 1.00 0.00 O ATOM 351 CB PRO A 24 -5.137 -11.381 -2.447 1.00 0.00 C ATOM 352 CG PRO A 24 -6.258 -11.874 -1.589 1.00 0.00 C ATOM 353 CD PRO A 24 -5.635 -12.579 -0.407 1.00 0.00 C ATOM 0 HA PRO A 24 -2.988 -11.258 -1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.399 -10.446 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.893 -12.099 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.883 -11.045 -1.257 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.901 -12.554 -2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.063 -12.233 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.798 -13.656 -0.454 1.00 0.00 H new ATOM 361 N CYS A 25 -2.815 -9.281 -0.510 1.00 0.00 N ATOM 362 CA CYS A 25 -2.705 -7.956 0.103 1.00 0.00 C ATOM 363 C CYS A 25 -3.375 -6.902 -0.778 1.00 0.00 C ATOM 364 O CYS A 25 -2.983 -6.703 -1.930 1.00 0.00 O ATOM 365 CB CYS A 25 -1.235 -7.596 0.336 1.00 0.00 C ATOM 366 SG CYS A 25 -0.377 -8.700 1.487 1.00 0.00 S ATOM 0 H CYS A 25 -1.924 -9.758 -0.644 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.215 -7.979 1.066 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.713 -7.609 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.178 -6.576 0.717 1.00 0.00 H new ATOM 0 HG CYS A 25 0.459 -9.447 0.830 1.00 0.00 H new ATOM 372 N VAL A 26 -4.402 -6.246 -0.236 1.00 0.00 N ATOM 373 CA VAL A 26 -5.144 -5.230 -0.984 1.00 0.00 C ATOM 374 C VAL A 26 -5.581 -4.067 -0.087 1.00 0.00 C ATOM 375 O VAL A 26 -5.777 -4.238 1.119 1.00 0.00 O ATOM 376 CB VAL A 26 -6.388 -5.856 -1.658 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.351 -6.410 -0.616 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.087 -4.847 -2.559 1.00 0.00 C ATOM 0 H VAL A 26 -4.738 -6.399 0.715 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.472 -4.838 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.050 -6.685 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.217 -6.844 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.848 -7.178 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.678 -5.605 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.958 -5.313 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.406 -3.989 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.399 -4.515 -3.336 1.00 0.00 H new ATOM 388 N LEU A 27 -5.744 -2.886 -0.687 1.00 0.00 N ATOM 389 CA LEU A 27 -6.171 -1.702 0.054 1.00 0.00 C ATOM 390 C LEU A 27 -7.695 -1.602 0.069 1.00 0.00 C ATOM 391 O LEU A 27 -8.298 -1.039 -0.850 1.00 0.00 O ATOM 392 CB LEU A 27 -5.575 -0.434 -0.565 1.00 0.00 C ATOM 393 CG LEU A 27 -4.254 0.035 0.048 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.371 0.662 -1.019 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.510 1.021 1.178 1.00 0.00 C ATOM 0 H LEU A 27 -5.587 -2.726 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.811 -1.796 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.421 -0.607 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.304 0.371 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.736 -0.831 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.434 0.991 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.161 -0.073 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.883 1.518 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.559 1.344 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.047 1.887 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.108 0.540 1.952 1.00 0.00 H new ATOM 407 N SER A 28 -8.312 -2.154 1.116 1.00 0.00 N ATOM 408 CA SER A 28 -9.772 -2.132 1.258 1.00 0.00 C ATOM 409 C SER A 28 -10.330 -0.717 1.095 1.00 0.00 C ATOM 410 O SER A 28 -11.380 -0.528 0.478 1.00 0.00 O ATOM 411 CB SER A 28 -10.187 -2.694 2.620 1.00 0.00 C ATOM 412 OG SER A 28 -10.572 -4.053 2.514 1.00 0.00 O ATOM 0 H SER A 28 -7.824 -2.622 1.879 1.00 0.00 H new ATOM 0 HA SER A 28 -10.186 -2.757 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.359 -2.601 3.323 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.014 -2.109 3.022 1.00 0.00 H new ATOM 0 HG SER A 28 -9.956 -4.609 3.035 1.00 0.00 H new ATOM 418 N CYS A 29 -9.622 0.268 1.653 1.00 0.00 N ATOM 419 CA CYS A 29 -10.042 1.668 1.569 1.00 0.00 C ATOM 420 C CYS A 29 -8.931 2.602 2.049 1.00 0.00 C ATOM 421 O CYS A 29 -8.008 2.177 2.743 1.00 0.00 O ATOM 422 CB CYS A 29 -11.311 1.899 2.396 1.00 0.00 C ATOM 423 SG CYS A 29 -12.319 3.291 1.833 1.00 0.00 S ATOM 0 H CYS A 29 -8.754 0.121 2.168 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.255 1.891 0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.917 0.993 2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.029 2.066 3.435 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.368 3.403 2.593 1.00 0.00 H new ATOM 429 N VAL A 30 -9.029 3.876 1.674 1.00 0.00 N ATOM 430 CA VAL A 30 -8.039 4.877 2.072 1.00 0.00 C ATOM 431 C VAL A 30 -8.720 6.051 2.774 1.00 0.00 C ATOM 432 O VAL A 30 -9.901 6.320 2.544 1.00 0.00 O ATOM 433 CB VAL A 30 -7.232 5.392 0.855 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.062 6.255 1.307 1.00 0.00 C ATOM 435 CG2 VAL A 30 -6.737 4.229 0.009 1.00 0.00 C ATOM 0 H VAL A 30 -9.785 4.241 1.094 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.346 4.396 2.762 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.895 6.006 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.510 6.605 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.437 7.112 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.400 5.667 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.172 4.612 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.094 3.588 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.589 3.653 -0.351 1.00 0.00 H new ATOM 445 N MET A 31 -7.971 6.748 3.631 1.00 0.00 N ATOM 446 CA MET A 31 -8.505 7.884 4.361 1.00 0.00 C ATOM 447 C MET A 31 -8.397 9.148 3.526 1.00 0.00 C ATOM 448 O MET A 31 -7.343 9.787 3.466 1.00 0.00 O ATOM 449 CB MET A 31 -7.785 8.076 5.696 1.00 0.00 C ATOM 450 CG MET A 31 -7.655 6.805 6.525 1.00 0.00 C ATOM 451 SD MET A 31 -8.729 6.804 7.974 1.00 0.00 S ATOM 452 CE MET A 31 -10.322 6.503 7.216 1.00 0.00 C ATOM 0 H MET A 31 -6.993 6.540 3.832 1.00 0.00 H new ATOM 0 HA MET A 31 -9.556 7.681 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.789 8.475 5.504 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.321 8.824 6.280 1.00 0.00 H new ATOM 0 HG2 MET A 31 -7.893 5.944 5.901 1.00 0.00 H new ATOM 0 HG3 MET A 31 -6.620 6.690 6.846 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.065 6.316 7.992 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.618 7.375 6.633 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.255 5.634 6.561 1.00 0.00 H new ATOM 462 N ARG A 32 -9.501 9.488 2.886 1.00 0.00 N ATOM 463 CA ARG A 32 -9.584 10.671 2.033 1.00 0.00 C ATOM 464 C ARG A 32 -9.048 11.905 2.760 1.00 0.00 C ATOM 465 O ARG A 32 -9.527 12.259 3.840 1.00 0.00 O ATOM 466 CB ARG A 32 -11.030 10.910 1.596 1.00 0.00 C ATOM 467 CG ARG A 32 -11.397 10.212 0.296 1.00 0.00 C ATOM 468 CD ARG A 32 -11.920 11.197 -0.738 1.00 0.00 C ATOM 469 NE ARG A 32 -13.314 10.932 -1.093 1.00 0.00 N ATOM 470 CZ ARG A 32 -14.364 11.336 -0.369 1.00 0.00 C ATOM 471 NH1 ARG A 32 -14.185 12.014 0.764 1.00 0.00 N ATOM 472 NH2 ARG A 32 -15.597 11.055 -0.779 1.00 0.00 N ATOM 0 H ARG A 32 -10.369 8.955 2.940 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.970 10.496 1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.700 10.567 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.194 11.982 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.522 9.697 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.154 9.452 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.832 12.211 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.302 11.144 -1.634 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.497 10.406 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.241 12.229 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.992 12.318 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.740 10.533 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.400 11.362 -0.229 1.00 0.00 H new ATOM 486 N GLY A 33 -8.046 12.543 2.161 1.00 0.00 N ATOM 487 CA GLY A 33 -7.443 13.725 2.759 1.00 0.00 C ATOM 488 C GLY A 33 -6.122 13.424 3.451 1.00 0.00 C ATOM 489 O GLY A 33 -5.681 14.188 4.311 1.00 0.00 O ATOM 0 H GLY A 33 -7.639 12.262 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.281 14.476 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.137 14.156 3.481 1.00 0.00 H new ATOM 493 N SER A 34 -5.485 12.312 3.071 1.00 0.00 N ATOM 494 CA SER A 34 -4.206 11.912 3.652 1.00 0.00 C ATOM 495 C SER A 34 -3.107 11.942 2.585 1.00 0.00 C ATOM 496 O SER A 34 -3.398 12.020 1.389 1.00 0.00 O ATOM 497 CB SER A 34 -4.324 10.508 4.273 1.00 0.00 C ATOM 498 OG SER A 34 -3.752 9.513 3.437 1.00 0.00 O ATOM 0 H SER A 34 -5.839 11.672 2.360 1.00 0.00 H new ATOM 0 HA SER A 34 -3.938 12.617 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.828 10.497 5.244 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.374 10.275 4.449 1.00 0.00 H new ATOM 0 HG SER A 34 -3.022 9.065 3.914 1.00 0.00 H new ATOM 504 N PRO A 35 -1.822 11.869 3.004 1.00 0.00 N ATOM 505 CA PRO A 35 -0.676 11.875 2.079 1.00 0.00 C ATOM 506 C PRO A 35 -0.806 10.829 0.967 1.00 0.00 C ATOM 507 O PRO A 35 -0.298 11.025 -0.140 1.00 0.00 O ATOM 508 CB PRO A 35 0.531 11.557 2.976 1.00 0.00 C ATOM 509 CG PRO A 35 -0.041 11.101 4.277 1.00 0.00 C ATOM 510 CD PRO A 35 -1.381 11.765 4.400 1.00 0.00 C ATOM 0 HA PRO A 35 -0.593 12.830 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.156 10.783 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.160 12.437 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.141 10.016 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.609 11.379 5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.072 11.173 4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.305 12.744 4.874 1.00 0.00 H new ATOM 518 N ALA A 36 -1.495 9.725 1.266 1.00 0.00 N ATOM 519 CA ALA A 36 -1.702 8.654 0.293 1.00 0.00 C ATOM 520 C ALA A 36 -2.727 9.065 -0.764 1.00 0.00 C ATOM 521 O ALA A 36 -2.506 8.875 -1.963 1.00 0.00 O ATOM 522 CB ALA A 36 -2.144 7.374 0.990 1.00 0.00 C ATOM 0 H ALA A 36 -1.919 9.551 2.177 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.752 8.467 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.293 6.589 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.377 7.063 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.079 7.553 1.521 1.00 0.00 H new ATOM 528 N ASP A 37 -3.842 9.636 -0.309 1.00 0.00 N ATOM 529 CA ASP A 37 -4.905 10.085 -1.212 1.00 0.00 C ATOM 530 C ASP A 37 -4.413 11.210 -2.124 1.00 0.00 C ATOM 531 O ASP A 37 -4.855 11.324 -3.268 1.00 0.00 O ATOM 532 CB ASP A 37 -6.128 10.557 -0.417 1.00 0.00 C ATOM 533 CG ASP A 37 -7.388 9.793 -0.779 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.574 8.674 -0.261 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.190 10.316 -1.582 1.00 0.00 O ATOM 0 H ASP A 37 -4.034 9.799 0.679 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.192 9.236 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.931 10.442 0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.287 11.620 -0.599 1.00 0.00 H new ATOM 540 N PHE A 38 -3.495 12.036 -1.612 1.00 0.00 N ATOM 541 CA PHE A 38 -2.938 13.151 -2.383 1.00 0.00 C ATOM 542 C PHE A 38 -2.235 12.657 -3.652 1.00 0.00 C ATOM 543 O PHE A 38 -2.166 13.378 -4.648 1.00 0.00 O ATOM 544 CB PHE A 38 -1.951 13.955 -1.531 1.00 0.00 C ATOM 545 CG PHE A 38 -2.543 14.536 -0.271 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.913 14.731 -0.143 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.723 14.890 0.788 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.447 15.261 1.014 1.00 0.00 C ATOM 549 CE2 PHE A 38 -2.251 15.421 1.948 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.615 15.608 2.062 1.00 0.00 C ATOM 0 H PHE A 38 -3.122 11.953 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.769 13.793 -2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.114 13.311 -1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.546 14.767 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.568 14.464 -0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.656 14.749 0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.514 15.405 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.598 15.690 2.765 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.030 16.024 2.968 1.00 0.00 H new ATOM 560 N VAL A 39 -1.717 11.426 -3.614 1.00 0.00 N ATOM 561 CA VAL A 39 -1.028 10.845 -4.766 1.00 0.00 C ATOM 562 C VAL A 39 -2.005 10.101 -5.679 1.00 0.00 C ATOM 563 O VAL A 39 -1.762 9.971 -6.882 1.00 0.00 O ATOM 564 CB VAL A 39 0.088 9.868 -4.324 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.937 9.455 -5.518 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.955 10.490 -3.236 1.00 0.00 C ATOM 0 H VAL A 39 -1.762 10.815 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.581 11.674 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.383 8.976 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.717 8.768 -5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.308 8.962 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.395 10.339 -5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.732 9.784 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.417 11.401 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.337 10.730 -2.371 1.00 0.00 H new ATOM 576 N GLY A 40 -3.111 9.621 -5.106 1.00 0.00 N ATOM 577 CA GLY A 40 -4.104 8.898 -5.884 1.00 0.00 C ATOM 578 C GLY A 40 -4.454 7.532 -5.309 1.00 0.00 C ATOM 579 O GLY A 40 -5.273 6.814 -5.884 1.00 0.00 O ATOM 0 H GLY A 40 -3.335 9.721 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.011 9.499 -5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.734 8.771 -6.901 1.00 0.00 H new ATOM 583 N LEU A 41 -3.846 7.168 -4.173 1.00 0.00 N ATOM 584 CA LEU A 41 -4.117 5.880 -3.538 1.00 0.00 C ATOM 585 C LEU A 41 -5.543 5.842 -2.997 1.00 0.00 C ATOM 586 O LEU A 41 -5.898 6.618 -2.108 1.00 0.00 O ATOM 587 CB LEU A 41 -3.126 5.619 -2.400 1.00 0.00 C ATOM 588 CG LEU A 41 -1.853 4.869 -2.796 1.00 0.00 C ATOM 589 CD1 LEU A 41 -0.872 4.831 -1.634 1.00 0.00 C ATOM 590 CD2 LEU A 41 -2.184 3.457 -3.265 1.00 0.00 C ATOM 0 H LEU A 41 -3.167 7.747 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.001 5.101 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.842 6.576 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.635 5.051 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.385 5.402 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.027 4.293 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.608 5.849 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.332 4.323 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.265 2.941 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.678 2.913 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.847 3.507 -4.129 1.00 0.00 H new ATOM 602 N ARG A 42 -6.356 4.936 -3.539 1.00 0.00 N ATOM 603 CA ARG A 42 -7.738 4.793 -3.118 1.00 0.00 C ATOM 604 C ARG A 42 -8.051 3.319 -2.838 1.00 0.00 C ATOM 605 O ARG A 42 -7.164 2.554 -2.449 1.00 0.00 O ATOM 606 CB ARG A 42 -8.677 5.365 -4.191 1.00 0.00 C ATOM 607 CG ARG A 42 -8.248 6.725 -4.728 1.00 0.00 C ATOM 608 CD ARG A 42 -9.017 7.859 -4.067 1.00 0.00 C ATOM 609 NE ARG A 42 -9.974 8.483 -4.982 1.00 0.00 N ATOM 610 CZ ARG A 42 -10.479 9.709 -4.820 1.00 0.00 C ATOM 611 NH1 ARG A 42 -10.130 10.452 -3.771 1.00 0.00 N ATOM 612 NH2 ARG A 42 -11.338 10.194 -5.711 1.00 0.00 N ATOM 0 H ARG A 42 -6.073 4.289 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.894 5.354 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.736 4.660 -5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.680 5.451 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.180 6.863 -4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.407 6.757 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.547 7.477 -3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.315 8.612 -3.709 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.275 7.947 -5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.472 10.086 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.521 11.387 -3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.610 9.630 -6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.725 11.130 -5.589 1.00 0.00 H new ATOM 626 N ALA A 43 -9.305 2.923 -3.038 1.00 0.00 N ATOM 627 CA ALA A 43 -9.725 1.544 -2.810 1.00 0.00 C ATOM 628 C ALA A 43 -9.929 0.802 -4.127 1.00 0.00 C ATOM 629 O ALA A 43 -10.352 1.394 -5.123 1.00 0.00 O ATOM 630 CB ALA A 43 -11.002 1.509 -1.984 1.00 0.00 C ATOM 0 H ALA A 43 -10.051 3.541 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.932 1.040 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.303 0.474 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.826 1.990 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.793 2.038 -2.515 1.00 0.00 H new ATOM 636 N GLY A 44 -9.627 -0.495 -4.120 1.00 0.00 N ATOM 637 CA GLY A 44 -9.783 -1.306 -5.318 1.00 0.00 C ATOM 638 C GLY A 44 -8.455 -1.714 -5.942 1.00 0.00 C ATOM 639 O GLY A 44 -8.413 -2.640 -6.754 1.00 0.00 O ATOM 0 H GLY A 44 -9.277 -0.999 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.352 -2.202 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.367 -0.750 -6.052 1.00 0.00 H new ATOM 643 N ASP A 45 -7.371 -1.031 -5.567 1.00 0.00 N ATOM 644 CA ASP A 45 -6.049 -1.340 -6.103 1.00 0.00 C ATOM 645 C ASP A 45 -5.397 -2.475 -5.318 1.00 0.00 C ATOM 646 O ASP A 45 -5.314 -2.424 -4.087 1.00 0.00 O ATOM 647 CB ASP A 45 -5.149 -0.100 -6.064 1.00 0.00 C ATOM 648 CG ASP A 45 -5.189 0.684 -7.361 1.00 0.00 C ATOM 649 OD1 ASP A 45 -4.622 0.202 -8.365 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.783 1.783 -7.371 1.00 0.00 O ATOM 0 H ASP A 45 -7.385 -0.263 -4.896 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.173 -1.656 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.460 0.546 -5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.123 -0.405 -5.859 1.00 0.00 H new ATOM 655 N GLN A 46 -4.932 -3.494 -6.035 1.00 0.00 N ATOM 656 CA GLN A 46 -4.282 -4.640 -5.410 1.00 0.00 C ATOM 657 C GLN A 46 -2.817 -4.331 -5.122 1.00 0.00 C ATOM 658 O GLN A 46 -2.105 -3.799 -5.977 1.00 0.00 O ATOM 659 CB GLN A 46 -4.389 -5.877 -6.306 1.00 0.00 C ATOM 660 CG GLN A 46 -4.583 -7.173 -5.535 1.00 0.00 C ATOM 661 CD GLN A 46 -5.528 -8.133 -6.239 1.00 0.00 C ATOM 662 OE1 GLN A 46 -5.109 -9.178 -6.733 1.00 0.00 O ATOM 663 NE2 GLN A 46 -6.806 -7.776 -6.292 1.00 0.00 N ATOM 0 H GLN A 46 -4.994 -3.549 -7.052 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.790 -4.846 -4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.224 -5.745 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.486 -5.956 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.616 -7.657 -5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.973 -6.947 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.109 -6.899 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.485 -8.379 -6.757 1.00 0.00 H new ATOM 672 N ILE A 47 -2.375 -4.671 -3.916 1.00 0.00 N ATOM 673 CA ILE A 47 -0.991 -4.434 -3.516 1.00 0.00 C ATOM 674 C ILE A 47 -0.094 -5.589 -3.956 1.00 0.00 C ATOM 675 O ILE A 47 -0.331 -6.742 -3.594 1.00 0.00 O ATOM 676 CB ILE A 47 -0.854 -4.247 -1.987 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.881 -3.234 -1.470 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.558 -3.800 -1.638 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.079 -3.292 0.029 1.00 0.00 C ATOM 0 H ILE A 47 -2.953 -5.111 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.677 -3.514 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.048 -5.204 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.562 -2.230 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.837 -3.413 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.643 -3.672 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.271 -4.554 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.773 -2.854 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.819 -2.549 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.428 -4.285 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.133 -3.084 0.529 1.00 0.00 H new ATOM 691 N LEU A 48 0.932 -5.269 -4.741 1.00 0.00 N ATOM 692 CA LEU A 48 1.865 -6.278 -5.235 1.00 0.00 C ATOM 693 C LEU A 48 3.209 -6.180 -4.513 1.00 0.00 C ATOM 694 O LEU A 48 3.750 -7.188 -4.057 1.00 0.00 O ATOM 695 CB LEU A 48 2.061 -6.130 -6.750 1.00 0.00 C ATOM 696 CG LEU A 48 0.922 -6.684 -7.620 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.827 -8.198 -7.486 1.00 0.00 C ATOM 698 CD2 LEU A 48 -0.406 -6.031 -7.256 1.00 0.00 C ATOM 0 H LEU A 48 1.138 -4.319 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 48 1.440 -7.261 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.190 -5.073 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.987 -6.633 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 48 1.146 -6.445 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.014 -8.568 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.765 -8.651 -7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.634 -8.460 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.197 -6.439 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.635 -6.231 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.337 -4.955 -7.413 1.00 0.00 H new ATOM 710 N ALA A 49 3.734 -4.960 -4.409 1.00 0.00 N ATOM 711 CA ALA A 49 5.011 -4.716 -3.740 1.00 0.00 C ATOM 712 C ALA A 49 4.855 -3.687 -2.621 1.00 0.00 C ATOM 713 O ALA A 49 4.197 -2.660 -2.800 1.00 0.00 O ATOM 714 CB ALA A 49 6.056 -4.251 -4.743 1.00 0.00 C ATOM 0 H ALA A 49 3.291 -4.120 -4.782 1.00 0.00 H new ATOM 0 HA ALA A 49 5.344 -5.654 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.001 -4.074 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.196 -5.018 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.721 -3.327 -5.215 1.00 0.00 H new ATOM 720 N VAL A 50 5.471 -3.965 -1.473 1.00 0.00 N ATOM 721 CA VAL A 50 5.413 -3.063 -0.323 1.00 0.00 C ATOM 722 C VAL A 50 6.796 -2.915 0.296 1.00 0.00 C ATOM 723 O VAL A 50 7.291 -3.837 0.941 1.00 0.00 O ATOM 724 CB VAL A 50 4.427 -3.562 0.757 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.053 -2.430 1.700 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.184 -4.165 0.115 1.00 0.00 C ATOM 0 H VAL A 50 6.018 -4.811 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 50 5.058 -2.099 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 50 4.919 -4.342 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.358 -2.799 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.951 -2.052 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.581 -1.626 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.503 -4.510 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.686 -3.410 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.472 -5.007 -0.515 1.00 0.00 H new ATOM 736 N ASN A 51 7.426 -1.761 0.068 1.00 0.00 N ATOM 737 CA ASN A 51 8.771 -1.500 0.573 1.00 0.00 C ATOM 738 C ASN A 51 9.789 -2.260 -0.284 1.00 0.00 C ATOM 739 O ASN A 51 10.777 -2.793 0.221 1.00 0.00 O ATOM 740 CB ASN A 51 8.895 -1.900 2.055 1.00 0.00 C ATOM 741 CG ASN A 51 9.956 -1.099 2.798 1.00 0.00 C ATOM 742 OD1 ASN A 51 10.965 -0.695 2.221 1.00 0.00 O ATOM 743 ND2 ASN A 51 9.734 -0.863 4.089 1.00 0.00 N ATOM 0 H ASN A 51 7.023 -0.991 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 51 8.973 -0.431 0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.932 -1.760 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.136 -2.961 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.412 -0.331 4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.886 -1.214 4.533 1.00 0.00 H new ATOM 750 N GLU A 52 9.508 -2.302 -1.596 1.00 0.00 N ATOM 751 CA GLU A 52 10.351 -2.986 -2.584 1.00 0.00 C ATOM 752 C GLU A 52 10.262 -4.517 -2.486 1.00 0.00 C ATOM 753 O GLU A 52 10.899 -5.226 -3.269 1.00 0.00 O ATOM 754 CB GLU A 52 11.814 -2.508 -2.485 1.00 0.00 C ATOM 755 CG GLU A 52 12.748 -3.427 -1.701 1.00 0.00 C ATOM 756 CD GLU A 52 14.177 -3.387 -2.216 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.407 -3.802 -3.372 1.00 0.00 O ATOM 758 OE2 GLU A 52 15.064 -2.939 -1.461 1.00 0.00 O ATOM 0 H GLU A 52 8.684 -1.859 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 52 9.963 -2.716 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.210 -2.390 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.826 -1.522 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.737 -3.139 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.375 -4.450 -1.755 1.00 0.00 H new ATOM 765 N ILE A 53 9.467 -5.030 -1.541 1.00 0.00 N ATOM 766 CA ILE A 53 9.311 -6.473 -1.371 1.00 0.00 C ATOM 767 C ILE A 53 7.886 -6.913 -1.704 1.00 0.00 C ATOM 768 O ILE A 53 6.921 -6.466 -1.078 1.00 0.00 O ATOM 769 CB ILE A 53 9.675 -6.922 0.062 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.022 -6.008 1.103 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.188 -6.932 0.238 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.359 -6.371 2.532 1.00 0.00 C ATOM 0 H ILE A 53 8.925 -4.467 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 53 10.002 -6.952 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 53 9.295 -7.932 0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.333 -4.980 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.940 -6.042 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.434 -7.250 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.633 -7.624 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.581 -5.930 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.860 -5.679 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.023 -7.387 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.437 -6.309 2.679 1.00 0.00 H new ATOM 784 N ASN A 54 7.766 -7.785 -2.704 1.00 0.00 N ATOM 785 CA ASN A 54 6.471 -8.293 -3.145 1.00 0.00 C ATOM 786 C ASN A 54 5.847 -9.196 -2.087 1.00 0.00 C ATOM 787 O ASN A 54 6.494 -10.112 -1.575 1.00 0.00 O ATOM 788 CB ASN A 54 6.617 -9.060 -4.461 1.00 0.00 C ATOM 789 CG ASN A 54 6.393 -8.178 -5.675 1.00 0.00 C ATOM 790 OD1 ASN A 54 7.212 -7.312 -5.986 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.282 -8.391 -6.373 1.00 0.00 N ATOM 0 H ASN A 54 8.559 -8.156 -3.227 1.00 0.00 H new ATOM 0 HA ASN A 54 5.813 -7.438 -3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.613 -9.499 -4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.904 -9.885 -4.478 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.083 -7.827 -7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.629 -9.118 -6.082 1.00 0.00 H new ATOM 798 N VAL A 55 4.586 -8.927 -1.770 1.00 0.00 N ATOM 799 CA VAL A 55 3.858 -9.708 -0.774 1.00 0.00 C ATOM 800 C VAL A 55 2.565 -10.284 -1.362 1.00 0.00 C ATOM 801 O VAL A 55 1.479 -10.113 -0.800 1.00 0.00 O ATOM 802 CB VAL A 55 3.539 -8.858 0.478 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.821 -8.488 1.211 1.00 0.00 C ATOM 804 CG2 VAL A 55 2.751 -7.606 0.106 1.00 0.00 C ATOM 0 H VAL A 55 4.044 -8.172 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 55 4.502 -10.535 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 55 2.919 -9.457 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.578 -7.890 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.338 -9.396 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.466 -7.913 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.541 -7.028 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.336 -7.000 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.812 -7.894 -0.368 1.00 0.00 H new ATOM 814 N LYS A 56 2.695 -10.969 -2.499 1.00 0.00 N ATOM 815 CA LYS A 56 1.546 -11.575 -3.180 1.00 0.00 C ATOM 816 C LYS A 56 0.775 -12.512 -2.253 1.00 0.00 C ATOM 817 O LYS A 56 -0.454 -12.464 -2.200 1.00 0.00 O ATOM 818 CB LYS A 56 2.002 -12.338 -4.426 1.00 0.00 C ATOM 819 CG LYS A 56 2.225 -11.447 -5.641 1.00 0.00 C ATOM 820 CD LYS A 56 2.532 -12.272 -6.881 1.00 0.00 C ATOM 821 CE LYS A 56 1.588 -11.942 -8.030 1.00 0.00 C ATOM 822 NZ LYS A 56 0.197 -12.411 -7.769 1.00 0.00 N ATOM 0 H LYS A 56 3.587 -11.119 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 56 0.879 -10.766 -3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.928 -12.867 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.256 -13.093 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.338 -10.839 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.049 -10.760 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.561 -12.090 -7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.454 -13.332 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.581 -10.864 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.959 -12.402 -8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.410 -12.165 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.197 -13.443 -7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.168 -11.953 -6.910 1.00 0.00 H new ATOM 836 N LYS A 57 1.504 -13.358 -1.527 1.00 0.00 N ATOM 837 CA LYS A 57 0.884 -14.302 -0.597 1.00 0.00 C ATOM 838 C LYS A 57 1.648 -14.350 0.732 1.00 0.00 C ATOM 839 O LYS A 57 1.708 -15.396 1.384 1.00 0.00 O ATOM 840 CB LYS A 57 0.828 -15.704 -1.216 1.00 0.00 C ATOM 841 CG LYS A 57 0.151 -15.754 -2.578 1.00 0.00 C ATOM 842 CD LYS A 57 -0.864 -16.885 -2.656 1.00 0.00 C ATOM 843 CE LYS A 57 -1.811 -16.708 -3.834 1.00 0.00 C ATOM 844 NZ LYS A 57 -2.866 -15.691 -3.557 1.00 0.00 N ATOM 0 H LYS A 57 2.522 -13.410 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.131 -13.958 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.844 -16.088 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.299 -16.370 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.346 -14.804 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.904 -15.885 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.342 -17.837 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.438 -16.924 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.242 -16.409 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.281 -17.663 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.519 -15.639 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.394 -15.962 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.422 -14.762 -3.410 1.00 0.00 H new ATOM 858 N ALA A 58 2.228 -13.213 1.130 1.00 0.00 N ATOM 859 CA ALA A 58 2.981 -13.126 2.373 1.00 0.00 C ATOM 860 C ALA A 58 2.049 -13.039 3.581 1.00 0.00 C ATOM 861 O ALA A 58 0.824 -13.002 3.433 1.00 0.00 O ATOM 862 CB ALA A 58 3.921 -11.928 2.337 1.00 0.00 C ATOM 0 H ALA A 58 2.187 -12.341 0.603 1.00 0.00 H new ATOM 0 HA ALA A 58 3.573 -14.036 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.478 -11.874 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.617 -12.037 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.341 -11.014 2.207 1.00 0.00 H new ATOM 868 N SER A 59 2.636 -13.000 4.776 1.00 0.00 N ATOM 869 CA SER A 59 1.861 -12.916 6.007 1.00 0.00 C ATOM 870 C SER A 59 1.427 -11.486 6.270 1.00 0.00 C ATOM 871 O SER A 59 2.215 -10.545 6.160 1.00 0.00 O ATOM 872 CB SER A 59 2.655 -13.451 7.199 1.00 0.00 C ATOM 873 OG SER A 59 3.744 -14.257 6.782 1.00 0.00 O ATOM 0 H SER A 59 3.646 -13.025 4.915 1.00 0.00 H new ATOM 0 HA SER A 59 0.974 -13.536 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.026 -12.616 7.794 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.997 -14.033 7.843 1.00 0.00 H new ATOM 0 HG SER A 59 4.551 -13.995 7.271 1.00 0.00 H new ATOM 879 N HIS A 60 0.155 -11.346 6.611 1.00 0.00 N ATOM 880 CA HIS A 60 -0.448 -10.049 6.890 1.00 0.00 C ATOM 881 C HIS A 60 0.326 -9.283 7.961 1.00 0.00 C ATOM 882 O HIS A 60 0.585 -8.090 7.807 1.00 0.00 O ATOM 883 CB HIS A 60 -1.898 -10.256 7.323 1.00 0.00 C ATOM 884 CG HIS A 60 -2.828 -9.177 6.865 1.00 0.00 C ATOM 885 ND1 HIS A 60 -4.129 -9.420 6.479 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.651 -7.840 6.751 1.00 0.00 C ATOM 887 CE1 HIS A 60 -4.708 -8.284 6.145 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.833 -7.307 6.301 1.00 0.00 N ATOM 0 H HIS A 60 -0.491 -12.130 6.703 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.415 -9.448 5.981 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.249 -11.213 6.937 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.937 -10.318 8.411 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.746 -7.293 6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.726 -8.171 5.802 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.007 -6.319 6.117 1.00 0.00 H new ATOM 897 N GLU A 61 0.698 -9.973 9.034 1.00 0.00 N ATOM 898 CA GLU A 61 1.451 -9.347 10.117 1.00 0.00 C ATOM 899 C GLU A 61 2.829 -8.911 9.633 1.00 0.00 C ATOM 900 O GLU A 61 3.291 -7.817 9.960 1.00 0.00 O ATOM 901 CB GLU A 61 1.590 -10.303 11.306 1.00 0.00 C ATOM 902 CG GLU A 61 0.800 -9.870 12.531 1.00 0.00 C ATOM 903 CD GLU A 61 1.560 -10.087 13.827 1.00 0.00 C ATOM 904 OE1 GLU A 61 1.609 -11.242 14.299 1.00 0.00 O ATOM 905 OE2 GLU A 61 2.105 -9.102 14.368 1.00 0.00 O ATOM 0 H GLU A 61 0.492 -10.962 9.178 1.00 0.00 H new ATOM 0 HA GLU A 61 0.900 -8.465 10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.259 -11.296 11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.643 -10.386 11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.543 -8.815 12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.138 -10.424 12.568 1.00 0.00 H new ATOM 912 N ASP A 62 3.469 -9.767 8.840 1.00 0.00 N ATOM 913 CA ASP A 62 4.786 -9.470 8.294 1.00 0.00 C ATOM 914 C ASP A 62 4.722 -8.272 7.353 1.00 0.00 C ATOM 915 O ASP A 62 5.588 -7.397 7.392 1.00 0.00 O ATOM 916 CB ASP A 62 5.345 -10.685 7.553 1.00 0.00 C ATOM 917 CG ASP A 62 6.089 -11.632 8.475 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.206 -11.283 8.910 1.00 0.00 O ATOM 919 OD2 ASP A 62 5.552 -12.721 8.767 1.00 0.00 O ATOM 0 H ASP A 62 3.094 -10.674 8.562 1.00 0.00 H new ATOM 0 HA ASP A 62 5.449 -9.227 9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.528 -11.220 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.017 -10.348 6.763 1.00 0.00 H new ATOM 924 N VAL A 63 3.686 -8.233 6.516 1.00 0.00 N ATOM 925 CA VAL A 63 3.508 -7.135 5.570 1.00 0.00 C ATOM 926 C VAL A 63 3.295 -5.811 6.298 1.00 0.00 C ATOM 927 O VAL A 63 3.888 -4.795 5.932 1.00 0.00 O ATOM 928 CB VAL A 63 2.324 -7.390 4.606 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.196 -6.253 3.601 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.488 -8.721 3.883 1.00 0.00 C ATOM 0 H VAL A 63 2.959 -8.948 6.474 1.00 0.00 H new ATOM 0 HA VAL A 63 4.424 -7.078 4.982 1.00 0.00 H new ATOM 0 HB VAL A 63 1.410 -7.434 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.358 -6.451 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.024 -5.316 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.114 -6.177 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.643 -8.877 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.413 -8.710 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.525 -9.529 4.613 1.00 0.00 H new ATOM 940 N VAL A 64 2.470 -5.832 7.346 1.00 0.00 N ATOM 941 CA VAL A 64 2.212 -4.634 8.134 1.00 0.00 C ATOM 942 C VAL A 64 3.481 -4.205 8.854 1.00 0.00 C ATOM 943 O VAL A 64 3.781 -3.016 8.948 1.00 0.00 O ATOM 944 CB VAL A 64 1.077 -4.844 9.163 1.00 0.00 C ATOM 945 CG1 VAL A 64 0.786 -3.550 9.910 1.00 0.00 C ATOM 946 CG2 VAL A 64 -0.181 -5.368 8.483 1.00 0.00 C ATOM 0 H VAL A 64 1.973 -6.663 7.665 1.00 0.00 H new ATOM 0 HA VAL A 64 1.892 -3.854 7.444 1.00 0.00 H new ATOM 0 HB VAL A 64 1.406 -5.591 9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.015 -3.718 10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.683 -3.224 10.436 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.481 -2.781 9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.965 -5.508 9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.515 -4.650 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.036 -6.321 8.001 1.00 0.00 H new ATOM 956 N LYS A 65 4.225 -5.194 9.357 1.00 0.00 N ATOM 957 CA LYS A 65 5.468 -4.933 10.068 1.00 0.00 C ATOM 958 C LYS A 65 6.460 -4.179 9.180 1.00 0.00 C ATOM 959 O LYS A 65 7.148 -3.267 9.643 1.00 0.00 O ATOM 960 CB LYS A 65 6.097 -6.241 10.563 1.00 0.00 C ATOM 961 CG LYS A 65 6.276 -6.298 12.074 1.00 0.00 C ATOM 962 CD LYS A 65 6.531 -7.718 12.552 1.00 0.00 C ATOM 963 CE LYS A 65 7.509 -7.752 13.716 1.00 0.00 C ATOM 964 NZ LYS A 65 8.420 -8.928 13.644 1.00 0.00 N ATOM 0 H LYS A 65 3.983 -6.182 9.282 1.00 0.00 H new ATOM 0 HA LYS A 65 5.232 -4.309 10.930 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.472 -7.077 10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.068 -6.371 10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.109 -5.659 12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.385 -5.903 12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.589 -8.175 12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.924 -8.314 11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.099 -6.836 13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.955 -7.779 14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.070 -8.914 14.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.859 -9.803 13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.968 -8.889 12.761 1.00 0.00 H new ATOM 978 N LEU A 66 6.522 -4.567 7.907 1.00 0.00 N ATOM 979 CA LEU A 66 7.423 -3.930 6.949 1.00 0.00 C ATOM 980 C LEU A 66 7.030 -2.474 6.705 1.00 0.00 C ATOM 981 O LEU A 66 7.891 -1.598 6.623 1.00 0.00 O ATOM 982 CB LEU A 66 7.436 -4.704 5.629 1.00 0.00 C ATOM 983 CG LEU A 66 7.886 -6.165 5.741 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.193 -7.025 4.691 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.401 -6.267 5.616 1.00 0.00 C ATOM 0 H LEU A 66 5.958 -5.321 7.515 1.00 0.00 H new ATOM 0 HA LEU A 66 8.427 -3.943 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.434 -4.680 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.094 -4.189 4.929 1.00 0.00 H new ATOM 0 HG LEU A 66 7.600 -6.540 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.527 -8.058 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.114 -6.977 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.442 -6.656 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.703 -7.311 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.714 -5.873 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.871 -5.690 6.412 1.00 0.00 H new ATOM 997 N ILE A 67 5.724 -2.221 6.603 1.00 0.00 N ATOM 998 CA ILE A 67 5.220 -0.865 6.382 1.00 0.00 C ATOM 999 C ILE A 67 5.434 0.004 7.621 1.00 0.00 C ATOM 1000 O ILE A 67 5.813 1.173 7.509 1.00 0.00 O ATOM 1001 CB ILE A 67 3.721 -0.857 6.008 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.458 -1.797 4.828 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.260 0.557 5.673 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.016 -2.235 4.711 1.00 0.00 C ATOM 0 H ILE A 67 4.998 -2.935 6.670 1.00 0.00 H new ATOM 0 HA ILE A 67 5.785 -0.455 5.545 1.00 0.00 H new ATOM 0 HB ILE A 67 3.151 -1.211 6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.753 -1.298 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.090 -2.679 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.202 0.542 5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.412 1.204 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.836 0.937 4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.906 -2.899 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.721 -2.763 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.380 -1.360 4.577 1.00 0.00 H new ATOM 1016 N GLY A 68 5.205 -0.580 8.799 1.00 0.00 N ATOM 1017 CA GLY A 68 5.392 0.144 10.049 1.00 0.00 C ATOM 1018 C GLY A 68 6.822 0.635 10.223 1.00 0.00 C ATOM 1019 O GLY A 68 7.062 1.644 10.886 1.00 0.00 O ATOM 0 H GLY A 68 4.892 -1.545 8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.712 0.995 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.128 -0.504 10.885 1.00 0.00 H new ATOM 1023 N LYS A 69 7.770 -0.083 9.614 1.00 0.00 N ATOM 1024 CA LYS A 69 9.187 0.270 9.680 1.00 0.00 C ATOM 1025 C LYS A 69 9.498 1.521 8.850 1.00 0.00 C ATOM 1026 O LYS A 69 10.522 2.174 9.063 1.00 0.00 O ATOM 1027 CB LYS A 69 10.035 -0.904 9.184 1.00 0.00 C ATOM 1028 CG LYS A 69 11.442 -0.938 9.760 1.00 0.00 C ATOM 1029 CD LYS A 69 11.517 -1.820 10.998 1.00 0.00 C ATOM 1030 CE LYS A 69 12.292 -1.145 12.120 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.139 -2.110 12.880 1.00 0.00 N ATOM 0 H LYS A 69 7.576 -0.920 9.065 1.00 0.00 H new ATOM 0 HA LYS A 69 9.430 0.490 10.720 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.528 -1.836 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.100 -0.858 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.136 -1.308 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.757 0.074 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.509 -2.054 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.994 -2.766 10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.923 -0.361 11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.593 -0.662 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.648 -1.606 13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.535 -2.845 13.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.825 -2.553 12.235 1.00 0.00 H new ATOM 1045 N CYS A 70 8.615 1.853 7.907 1.00 0.00 N ATOM 1046 CA CYS A 70 8.796 3.012 7.059 1.00 0.00 C ATOM 1047 C CYS A 70 7.979 4.183 7.587 1.00 0.00 C ATOM 1048 O CYS A 70 6.765 4.262 7.386 1.00 0.00 O ATOM 1049 CB CYS A 70 8.381 2.679 5.636 1.00 0.00 C ATOM 1050 SG CYS A 70 9.621 3.080 4.385 1.00 0.00 S ATOM 0 H CYS A 70 7.763 1.325 7.717 1.00 0.00 H new ATOM 0 HA CYS A 70 9.849 3.294 7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.153 1.615 5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.461 3.215 5.404 1.00 0.00 H new ATOM 0 HG CYS A 70 9.486 4.321 4.022 1.00 0.00 H new ATOM 1056 N SER A 71 8.666 5.079 8.268 1.00 0.00 N ATOM 1057 CA SER A 71 8.044 6.270 8.852 1.00 0.00 C ATOM 1058 C SER A 71 8.263 7.506 7.980 1.00 0.00 C ATOM 1059 O SER A 71 7.436 8.419 7.973 1.00 0.00 O ATOM 1060 CB SER A 71 8.586 6.519 10.263 1.00 0.00 C ATOM 1061 OG SER A 71 7.858 5.778 11.225 1.00 0.00 O ATOM 0 H SER A 71 9.670 5.010 8.437 1.00 0.00 H new ATOM 0 HA SER A 71 6.971 6.086 8.908 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.639 6.241 10.306 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.527 7.582 10.497 1.00 0.00 H new ATOM 0 HG SER A 71 8.224 5.952 12.117 1.00 0.00 H new ATOM 1067 N GLY A 72 9.375 7.532 7.242 1.00 0.00 N ATOM 1068 CA GLY A 72 9.666 8.661 6.375 1.00 0.00 C ATOM 1069 C GLY A 72 8.829 8.641 5.110 1.00 0.00 C ATOM 1070 O GLY A 72 8.190 9.638 4.767 1.00 0.00 O ATOM 0 H GLY A 72 10.077 6.792 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.482 9.589 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.723 8.650 6.110 1.00 0.00 H new ATOM 1074 N VAL A 73 8.828 7.498 4.419 1.00 0.00 N ATOM 1075 CA VAL A 73 8.065 7.342 3.184 1.00 0.00 C ATOM 1076 C VAL A 73 8.178 5.922 2.632 1.00 0.00 C ATOM 1077 O VAL A 73 9.269 5.355 2.567 1.00 0.00 O ATOM 1078 CB VAL A 73 8.527 8.348 2.112 1.00 0.00 C ATOM 1079 CG1 VAL A 73 10.016 8.204 1.825 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.713 8.203 0.833 1.00 0.00 C ATOM 0 H VAL A 73 9.349 6.667 4.697 1.00 0.00 H new ATOM 0 HA VAL A 73 7.022 7.540 3.430 1.00 0.00 H new ATOM 0 HB VAL A 73 8.357 9.349 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.312 8.927 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.582 8.386 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.221 7.196 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.062 8.926 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.833 7.194 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.660 8.385 1.049 1.00 0.00 H new ATOM 1090 N LEU A 74 7.040 5.364 2.228 1.00 0.00 N ATOM 1091 CA LEU A 74 6.996 4.012 1.671 1.00 0.00 C ATOM 1092 C LEU A 74 6.584 4.037 0.201 1.00 0.00 C ATOM 1093 O LEU A 74 5.712 4.813 -0.199 1.00 0.00 O ATOM 1094 CB LEU A 74 6.028 3.131 2.464 1.00 0.00 C ATOM 1095 CG LEU A 74 5.959 1.668 2.012 1.00 0.00 C ATOM 1096 CD1 LEU A 74 6.694 0.769 2.995 1.00 0.00 C ATOM 1097 CD2 LEU A 74 4.511 1.226 1.854 1.00 0.00 C ATOM 0 H LEU A 74 6.133 5.828 2.276 1.00 0.00 H new ATOM 0 HA LEU A 74 7.999 3.592 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.316 3.157 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.030 3.563 2.396 1.00 0.00 H new ATOM 0 HG LEU A 74 6.449 1.583 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.634 -0.266 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.740 1.072 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.236 0.856 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.481 0.185 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.994 1.326 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.019 1.850 1.108 1.00 0.00 H new ATOM 1109 N HIS A 75 7.215 3.173 -0.592 1.00 0.00 N ATOM 1110 CA HIS A 75 6.924 3.073 -2.017 1.00 0.00 C ATOM 1111 C HIS A 75 6.301 1.715 -2.333 1.00 0.00 C ATOM 1112 O HIS A 75 6.993 0.694 -2.358 1.00 0.00 O ATOM 1113 CB HIS A 75 8.199 3.276 -2.848 1.00 0.00 C ATOM 1114 CG HIS A 75 9.013 4.471 -2.437 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.370 4.569 -2.662 1.00 0.00 N ATOM 1116 CD2 HIS A 75 8.655 5.617 -1.807 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.812 5.720 -2.187 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.792 6.373 -1.665 1.00 0.00 N ATOM 0 H HIS A 75 7.936 2.529 -0.267 1.00 0.00 H new ATOM 0 HA HIS A 75 6.215 3.858 -2.279 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.818 2.383 -2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.924 3.380 -3.897 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.662 5.885 -1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.834 6.067 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.840 7.292 -1.226 1.00 0.00 H new ATOM 1127 N MET A 76 4.988 1.708 -2.563 1.00 0.00 N ATOM 1128 CA MET A 76 4.266 0.475 -2.867 1.00 0.00 C ATOM 1129 C MET A 76 3.866 0.418 -4.338 1.00 0.00 C ATOM 1130 O MET A 76 3.602 1.448 -4.962 1.00 0.00 O ATOM 1131 CB MET A 76 3.024 0.345 -1.976 1.00 0.00 C ATOM 1132 CG MET A 76 2.002 1.457 -2.176 1.00 0.00 C ATOM 1133 SD MET A 76 1.345 2.080 -0.619 1.00 0.00 S ATOM 1134 CE MET A 76 -0.124 1.071 -0.448 1.00 0.00 C ATOM 0 H MET A 76 4.403 2.544 -2.544 1.00 0.00 H new ATOM 0 HA MET A 76 4.935 -0.361 -2.664 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.546 -0.614 -2.174 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.337 0.336 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.465 2.277 -2.725 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.182 1.086 -2.790 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.785 1.514 0.297 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.641 1.016 -1.406 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.159 0.067 -0.131 1.00 0.00 H new ATOM 1144 N VAL A 77 3.817 -0.797 -4.881 1.00 0.00 N ATOM 1145 CA VAL A 77 3.445 -1.003 -6.275 1.00 0.00 C ATOM 1146 C VAL A 77 2.068 -1.655 -6.376 1.00 0.00 C ATOM 1147 O VAL A 77 1.914 -2.853 -6.113 1.00 0.00 O ATOM 1148 CB VAL A 77 4.483 -1.877 -7.017 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.180 -1.920 -8.509 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.897 -1.364 -6.771 1.00 0.00 C ATOM 0 H VAL A 77 4.031 -1.655 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 77 3.417 -0.022 -6.749 1.00 0.00 H new ATOM 0 HB VAL A 77 4.416 -2.891 -6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.921 -2.540 -9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.187 -2.341 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.214 -0.910 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.610 -1.994 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.980 -0.339 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.114 -1.392 -5.703 1.00 0.00 H new ATOM 1160 N ILE A 78 1.072 -0.857 -6.755 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.300 -1.339 -6.899 1.00 0.00 C ATOM 1162 C ILE A 78 -0.646 -1.593 -8.367 1.00 0.00 C ATOM 1163 O ILE A 78 0.141 -1.283 -9.264 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.319 -0.338 -6.306 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.037 1.084 -6.808 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.287 -0.387 -4.784 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.237 2.004 -6.735 1.00 0.00 C ATOM 0 H ILE A 78 1.191 0.133 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.362 -2.277 -6.347 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.317 -0.624 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.225 1.513 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.691 1.033 -7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.010 0.323 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.540 -1.392 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.289 -0.127 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.962 2.991 -7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.044 1.599 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.571 2.086 -5.700 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.829 -2.161 -8.605 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.278 -2.458 -9.962 1.00 0.00 C ATOM 1181 C ALA A 79 -3.797 -2.533 -10.048 1.00 0.00 C ATOM 1182 O ALA A 79 -4.429 -3.310 -9.326 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.665 -3.764 -10.444 1.00 0.00 C ATOM 0 H ALA A 79 -2.491 -2.424 -7.875 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.946 -1.643 -10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.007 -3.975 -11.457 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.578 -3.680 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.969 -4.575 -9.782 1.00 0.00 H new ATOM 1189 N GLU A 80 -4.377 -1.737 -10.945 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.821 -1.725 -11.139 1.00 0.00 C ATOM 1191 C GLU A 80 -6.202 -2.508 -12.393 1.00 0.00 C ATOM 1192 O GLU A 80 -5.755 -2.184 -13.499 1.00 0.00 O ATOM 1193 CB GLU A 80 -6.344 -0.286 -11.229 1.00 0.00 C ATOM 1194 CG GLU A 80 -7.412 0.037 -10.196 1.00 0.00 C ATOM 1195 CD GLU A 80 -8.666 -0.800 -10.373 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -8.694 -1.942 -9.867 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -9.617 -0.315 -11.022 1.00 0.00 O ATOM 0 H GLU A 80 -3.866 -1.092 -11.548 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.283 -2.206 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.509 0.404 -11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.751 -0.118 -12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.008 -0.127 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.672 1.093 -10.265 1.00 0.00 H new ATOM 1204 N GLY A 81 -7.022 -3.541 -12.211 1.00 0.00 N ATOM 1205 CA GLY A 81 -7.451 -4.370 -13.324 1.00 0.00 C ATOM 1206 C GLY A 81 -7.223 -5.846 -13.060 1.00 0.00 C ATOM 1207 O GLY A 81 -7.833 -6.413 -12.153 1.00 0.00 O ATOM 0 H GLY A 81 -7.399 -3.819 -11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.510 -4.196 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.910 -4.076 -14.224 1.00 0.00 H new ATOM 1211 N VAL A 82 -6.336 -6.463 -13.847 1.00 0.00 N ATOM 1212 CA VAL A 82 -6.006 -7.881 -13.703 1.00 0.00 C ATOM 1213 C VAL A 82 -7.248 -8.770 -13.825 1.00 0.00 C ATOM 1214 O VAL A 82 -7.917 -9.068 -12.832 1.00 0.00 O ATOM 1215 CB VAL A 82 -5.303 -8.157 -12.355 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -4.946 -9.632 -12.210 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -4.065 -7.284 -12.214 1.00 0.00 C ATOM 0 H VAL A 82 -5.829 -5.994 -14.598 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.325 -8.128 -14.517 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.997 -7.905 -11.553 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.453 -9.794 -11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.854 -10.233 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.275 -9.925 -13.018 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.581 -7.490 -11.259 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.372 -7.502 -13.027 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.354 -6.234 -12.255 1.00 0.00 H new ATOM 1227 N GLY A 83 -7.543 -9.195 -15.053 1.00 0.00 N ATOM 1228 CA GLY A 83 -8.696 -10.050 -15.291 1.00 0.00 C ATOM 1229 C GLY A 83 -8.835 -10.444 -16.750 1.00 0.00 C ATOM 1230 O GLY A 83 -8.376 -11.547 -17.113 1.00 0.00 O ATOM 1231 OXT GLY A 83 -9.402 -9.649 -17.527 1.00 0.00 O ATOM 0 H GLY A 83 -7.004 -8.962 -15.887 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.609 -10.950 -14.682 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.600 -9.533 -14.970 1.00 0.00 H new TER 1235 GLY A 83