USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 544 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 14 CYS SG : rot -38:sc= 0.363 USER MOD Set 1.2: A 17 CYS SG : rot -111:sc= 0.174 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 174:sc= -0.777 (180deg=-0.893) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0027) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.12 K(o=1.1,f=-0.14) USER MOD Single : A 37 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.27) USER MOD Single : A 42 THR OG1 : rot 65:sc= 1.08 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0.0165 USER MOD Single : A 48 ASN : amide:sc= -0.0773 K(o=-0.077,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= 1.04 (180deg=-0.561) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 99:sc= -0.593 USER MOD Single : A 67 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 71 LYS NZ :NH3+ 162:sc= -0.0257 (180deg=-0.282) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.140 12.942 5.250 1.00 10.00 N ATOM 35 CA GLU A 3 1.657 13.287 3.941 1.00 10.00 C ATOM 36 C GLU A 3 1.122 12.016 3.303 1.00 10.00 C ATOM 37 O GLU A 3 1.209 10.925 3.872 1.00 10.00 O ATOM 38 CB GLU A 3 2.780 13.933 3.118 1.00 10.00 C ATOM 39 CG GLU A 3 4.073 13.107 3.173 1.00 10.00 C ATOM 40 CD GLU A 3 5.171 13.867 3.944 1.00 10.00 C ATOM 41 OE1 GLU A 3 5.039 14.087 5.174 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.133 14.303 3.284 1.00 10.00 O ATOM 0 HA GLU A 3 0.854 14.023 3.992 1.00 10.00 H new ATOM 0 HB2 GLU A 3 2.458 14.036 2.082 1.00 10.00 H new ATOM 0 HB3 GLU A 3 2.974 14.938 3.493 1.00 10.00 H new ATOM 0 HG2 GLU A 3 3.879 12.149 3.656 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.416 12.890 2.161 1.00 10.00 H new ATOM 49 N LYS A 4 0.536 12.215 2.132 1.00 10.00 N ATOM 50 CA LYS A 4 -0.214 11.241 1.373 1.00 10.00 C ATOM 51 C LYS A 4 0.561 10.951 0.096 1.00 10.00 C ATOM 52 O LYS A 4 0.700 11.805 -0.776 1.00 10.00 O ATOM 53 CB LYS A 4 -1.592 11.803 1.051 1.00 10.00 C ATOM 54 CG LYS A 4 -2.388 12.098 2.334 1.00 10.00 C ATOM 55 CD LYS A 4 -3.209 13.379 2.253 1.00 10.00 C ATOM 56 CE LYS A 4 -2.370 14.657 2.356 1.00 10.00 C ATOM 57 NZ LYS A 4 -3.131 15.814 1.844 1.00 10.00 N ATOM 0 H LYS A 4 0.578 13.119 1.662 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.347 10.320 1.940 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.487 12.717 0.467 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.142 11.092 0.434 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -3.054 11.260 2.541 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.697 12.170 3.174 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -3.757 13.390 1.311 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.950 13.376 3.052 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -2.086 14.831 3.394 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -1.447 14.541 1.788 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -2.550 16.673 1.920 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -3.380 15.652 0.847 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.000 15.933 2.403 1.00 10.00 H new ATOM 71 N ALA A 5 1.056 9.730 0.028 1.00 10.00 N ATOM 72 CA ALA A 5 1.706 9.122 -1.116 1.00 10.00 C ATOM 73 C ALA A 5 0.674 8.265 -1.837 1.00 10.00 C ATOM 74 O ALA A 5 -0.243 7.764 -1.187 1.00 10.00 O ATOM 75 CB ALA A 5 2.873 8.285 -0.618 1.00 10.00 C ATOM 0 H ALA A 5 1.011 9.094 0.824 1.00 10.00 H new ATOM 0 HA ALA A 5 2.092 9.869 -1.809 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.375 7.819 -1.466 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.578 8.924 -0.086 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.505 7.511 0.055 1.00 10.00 H new ATOM 81 N GLU A 6 0.787 8.098 -3.157 1.00 10.00 N ATOM 82 CA GLU A 6 -0.229 7.436 -3.936 1.00 10.00 C ATOM 83 C GLU A 6 0.502 6.405 -4.770 1.00 10.00 C ATOM 84 O GLU A 6 1.526 6.741 -5.369 1.00 10.00 O ATOM 85 CB GLU A 6 -0.919 8.468 -4.822 1.00 10.00 C ATOM 86 CG GLU A 6 -2.226 7.915 -5.376 1.00 10.00 C ATOM 87 CD GLU A 6 -2.684 8.643 -6.636 1.00 10.00 C ATOM 88 OE1 GLU A 6 -1.808 8.956 -7.476 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.909 8.834 -6.763 1.00 10.00 O ATOM 0 H GLU A 6 1.587 8.421 -3.702 1.00 10.00 H new ATOM 0 HA GLU A 6 -0.994 6.962 -3.321 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.116 9.374 -4.248 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.260 8.748 -5.644 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.103 6.855 -5.598 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.001 7.993 -4.614 1.00 10.00 H new ATOM 96 N PHE A 7 -0.001 5.172 -4.779 1.00 10.00 N ATOM 97 CA PHE A 7 0.605 4.027 -5.425 1.00 10.00 C ATOM 98 C PHE A 7 -0.432 3.259 -6.236 1.00 10.00 C ATOM 99 O PHE A 7 -1.602 3.237 -5.868 1.00 10.00 O ATOM 100 CB PHE A 7 1.196 3.088 -4.376 1.00 10.00 C ATOM 101 CG PHE A 7 1.987 3.723 -3.250 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.901 4.749 -3.531 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.874 3.242 -1.936 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.585 5.397 -2.497 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.642 3.824 -0.912 1.00 10.00 C ATOM 106 CZ PHE A 7 3.473 4.922 -1.182 1.00 10.00 C ATOM 0 H PHE A 7 -0.879 4.942 -4.314 1.00 10.00 H new ATOM 0 HA PHE A 7 1.391 4.389 -6.088 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.379 2.516 -3.935 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.845 2.376 -4.886 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.078 5.042 -4.555 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.200 2.428 -1.713 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.198 6.260 -2.711 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.592 3.423 0.090 1.00 10.00 H new ATOM 0 HZ PHE A 7 4.022 5.398 -0.383 1.00 10.00 H new ATOM 116 N ASP A 8 0.030 2.605 -7.300 1.00 10.00 N ATOM 117 CA ASP A 8 -0.725 1.830 -8.270 1.00 10.00 C ATOM 118 C ASP A 8 -0.597 0.373 -7.839 1.00 10.00 C ATOM 119 O ASP A 8 0.505 0.026 -7.411 1.00 10.00 O ATOM 120 CB ASP A 8 -0.023 2.028 -9.621 1.00 10.00 C ATOM 121 CG ASP A 8 -0.911 1.680 -10.800 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.365 0.520 -10.836 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.093 2.585 -11.645 1.00 10.00 O ATOM 0 H ASP A 8 1.026 2.607 -7.520 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.773 2.120 -8.339 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.300 3.065 -9.709 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.875 1.410 -9.653 1.00 10.00 H new ATOM 128 N ILE A 9 -1.652 -0.455 -7.884 1.00 10.00 N ATOM 129 CA ILE A 9 -1.556 -1.857 -7.479 1.00 10.00 C ATOM 130 C ILE A 9 -1.948 -2.794 -8.624 1.00 10.00 C ATOM 131 O ILE A 9 -3.088 -2.768 -9.083 1.00 10.00 O ATOM 132 CB ILE A 9 -2.405 -2.163 -6.234 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.324 -1.106 -5.126 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.900 -3.455 -5.598 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.410 -0.063 -5.317 1.00 10.00 C ATOM 0 H ILE A 9 -2.581 -0.173 -8.198 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.512 -2.033 -7.222 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.432 -2.209 -6.596 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.433 -1.581 -4.151 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.344 -0.628 -5.140 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.495 -3.682 -4.714 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.988 -4.272 -6.314 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.855 -3.335 -5.311 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.342 0.682 -4.524 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.281 0.423 -6.284 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.387 -0.544 -5.280 1.00 10.00 H new ATOM 147 N GLU A 10 -1.033 -3.682 -9.023 1.00 10.00 N ATOM 148 CA GLU A 10 -1.262 -4.669 -10.066 1.00 10.00 C ATOM 149 C GLU A 10 -1.590 -6.018 -9.422 1.00 10.00 C ATOM 150 O GLU A 10 -0.741 -6.615 -8.757 1.00 10.00 O ATOM 151 CB GLU A 10 -0.021 -4.800 -10.952 1.00 10.00 C ATOM 152 CG GLU A 10 0.474 -3.459 -11.512 1.00 10.00 C ATOM 153 CD GLU A 10 1.716 -3.657 -12.373 1.00 10.00 C ATOM 154 OE1 GLU A 10 1.541 -4.090 -13.531 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.825 -3.406 -11.847 1.00 10.00 O ATOM 0 H GLU A 10 -0.098 -3.731 -8.619 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.099 -4.349 -10.687 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.780 -5.262 -10.376 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.245 -5.471 -11.781 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -0.314 -2.994 -12.104 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.700 -2.778 -10.691 1.00 10.00 H new ATOM 162 N GLY A 11 -2.814 -6.501 -9.653 1.00 10.00 N ATOM 163 CA GLY A 11 -3.273 -7.839 -9.300 1.00 10.00 C ATOM 164 C GLY A 11 -4.613 -7.801 -8.564 1.00 10.00 C ATOM 165 O GLY A 11 -5.631 -8.210 -9.119 1.00 10.00 O ATOM 0 H GLY A 11 -3.538 -5.945 -10.109 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.371 -8.440 -10.204 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.527 -8.326 -8.672 1.00 10.00 H new ATOM 169 N MET A 12 -4.612 -7.320 -7.315 1.00 10.00 N ATOM 170 CA MET A 12 -5.747 -7.209 -6.410 1.00 10.00 C ATOM 171 C MET A 12 -6.317 -8.542 -5.956 1.00 10.00 C ATOM 172 O MET A 12 -6.326 -8.853 -4.772 1.00 10.00 O ATOM 173 CB MET A 12 -6.828 -6.263 -6.933 1.00 10.00 C ATOM 174 CG MET A 12 -6.301 -4.841 -7.167 1.00 10.00 C ATOM 175 SD MET A 12 -6.742 -3.650 -5.873 1.00 10.00 S ATOM 176 CE MET A 12 -5.975 -4.434 -4.434 1.00 10.00 C ATOM 0 H MET A 12 -3.753 -6.975 -6.886 1.00 10.00 H new ATOM 0 HA MET A 12 -5.336 -6.755 -5.508 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.230 -6.656 -7.867 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.652 -6.229 -6.221 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.215 -4.880 -7.252 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.683 -4.479 -8.121 1.00 10.00 H new ATOM 0 HE1 MET A 12 -6.062 -3.774 -3.571 1.00 10.00 H new ATOM 0 HE2 MET A 12 -6.479 -5.377 -4.222 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.922 -4.624 -4.641 1.00 10.00 H new ATOM 186 N THR A 13 -6.791 -9.329 -6.899 1.00 10.00 N ATOM 187 CA THR A 13 -7.302 -10.682 -6.714 1.00 10.00 C ATOM 188 C THR A 13 -8.722 -10.648 -6.142 1.00 10.00 C ATOM 189 O THR A 13 -9.641 -11.182 -6.760 1.00 10.00 O ATOM 190 CB THR A 13 -6.353 -11.543 -5.855 1.00 10.00 C ATOM 191 OG1 THR A 13 -5.005 -11.157 -6.031 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.473 -13.021 -6.221 1.00 10.00 C ATOM 0 H THR A 13 -6.835 -9.030 -7.873 1.00 10.00 H new ATOM 0 HA THR A 13 -7.349 -11.160 -7.693 1.00 10.00 H new ATOM 0 HB THR A 13 -6.646 -11.389 -4.817 1.00 10.00 H new ATOM 0 HG1 THR A 13 -4.428 -11.719 -5.473 1.00 10.00 H new ATOM 0 HG21 THR A 13 -5.794 -13.606 -5.601 1.00 10.00 H new ATOM 0 HG22 THR A 13 -7.497 -13.356 -6.053 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.215 -13.158 -7.271 1.00 10.00 H new ATOM 200 N CYS A 14 -8.912 -10.014 -4.979 1.00 10.00 N ATOM 201 CA CYS A 14 -10.214 -9.889 -4.338 1.00 10.00 C ATOM 202 C CYS A 14 -10.198 -8.778 -3.288 1.00 10.00 C ATOM 203 O CYS A 14 -9.143 -8.256 -2.920 1.00 10.00 O ATOM 204 CB CYS A 14 -10.655 -11.227 -3.725 1.00 10.00 C ATOM 205 SG CYS A 14 -9.665 -11.830 -2.332 1.00 10.00 S ATOM 0 H CYS A 14 -8.156 -9.572 -4.457 1.00 10.00 H new ATOM 0 HA CYS A 14 -10.943 -9.617 -5.101 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.689 -11.129 -3.394 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.642 -11.984 -4.509 1.00 10.00 H new ATOM 0 HG CYS A 14 -8.411 -11.562 -2.543 1.00 10.00 H new ATOM 210 N ALA A 15 -11.384 -8.413 -2.799 1.00 10.00 N ATOM 211 CA ALA A 15 -11.529 -7.396 -1.770 1.00 10.00 C ATOM 212 C ALA A 15 -10.765 -7.794 -0.503 1.00 10.00 C ATOM 213 O ALA A 15 -10.140 -6.954 0.135 1.00 10.00 O ATOM 214 CB ALA A 15 -13.013 -7.164 -1.475 1.00 10.00 C ATOM 0 H ALA A 15 -12.268 -8.817 -3.109 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.100 -6.461 -2.131 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.116 -6.401 -0.703 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.517 -6.832 -2.383 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.465 -8.094 -1.129 1.00 10.00 H new ATOM 220 N ALA A 16 -10.799 -9.077 -0.129 1.00 10.00 N ATOM 221 CA ALA A 16 -10.091 -9.543 1.056 1.00 10.00 C ATOM 222 C ALA A 16 -8.588 -9.273 0.929 1.00 10.00 C ATOM 223 O ALA A 16 -7.962 -8.833 1.894 1.00 10.00 O ATOM 224 CB ALA A 16 -10.380 -11.026 1.303 1.00 10.00 C ATOM 0 H ALA A 16 -11.308 -9.805 -0.631 1.00 10.00 H new ATOM 0 HA ALA A 16 -10.451 -8.987 1.921 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.843 -11.358 2.192 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.450 -11.168 1.451 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -10.052 -11.609 0.442 1.00 10.00 H new ATOM 230 N CYS A 17 -8.028 -9.524 -0.258 1.00 10.00 N ATOM 231 CA CYS A 17 -6.652 -9.209 -0.604 1.00 10.00 C ATOM 232 C CYS A 17 -6.410 -7.707 -0.501 1.00 10.00 C ATOM 233 O CYS A 17 -5.518 -7.275 0.227 1.00 10.00 O ATOM 234 CB CYS A 17 -6.341 -9.728 -2.003 1.00 10.00 C ATOM 235 SG CYS A 17 -5.978 -11.501 -2.062 1.00 10.00 S ATOM 0 H CYS A 17 -8.540 -9.965 -1.022 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.981 -9.701 0.100 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.189 -9.519 -2.655 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.489 -9.179 -2.403 1.00 10.00 H new ATOM 0 HG CYS A 17 -4.720 -11.677 -2.340 1.00 10.00 H new ATOM 240 N ALA A 18 -7.217 -6.909 -1.203 1.00 10.00 N ATOM 241 CA ALA A 18 -7.173 -5.456 -1.074 1.00 10.00 C ATOM 242 C ALA A 18 -7.089 -5.013 0.404 1.00 10.00 C ATOM 243 O ALA A 18 -6.139 -4.349 0.814 1.00 10.00 O ATOM 244 CB ALA A 18 -8.339 -4.844 -1.845 1.00 10.00 C ATOM 0 H ALA A 18 -7.911 -7.249 -1.869 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.256 -5.075 -1.524 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.308 -3.759 -1.750 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.264 -5.119 -2.897 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.279 -5.217 -1.439 1.00 10.00 H new ATOM 250 N ASN A 19 -8.028 -5.448 1.242 1.00 10.00 N ATOM 251 CA ASN A 19 -8.000 -5.174 2.680 1.00 10.00 C ATOM 252 C ASN A 19 -6.725 -5.724 3.348 1.00 10.00 C ATOM 253 O ASN A 19 -6.187 -5.128 4.283 1.00 10.00 O ATOM 254 CB ASN A 19 -9.264 -5.727 3.355 1.00 10.00 C ATOM 255 CG ASN A 19 -10.518 -4.928 2.993 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.792 -4.665 1.828 1.00 10.00 O ATOM 257 ND2 ASN A 19 -11.314 -4.542 3.987 1.00 10.00 N ATOM 0 H ASN A 19 -8.831 -6.001 0.944 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.982 -4.092 2.811 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.403 -6.768 3.062 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -9.129 -5.716 4.437 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -12.166 -4.019 3.784 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.072 -4.769 4.952 1.00 10.00 H new ATOM 264 N ARG A 20 -6.220 -6.872 2.885 1.00 10.00 N ATOM 265 CA ARG A 20 -4.956 -7.436 3.345 1.00 10.00 C ATOM 266 C ARG A 20 -3.818 -6.434 3.134 1.00 10.00 C ATOM 267 O ARG A 20 -2.955 -6.301 4.008 1.00 10.00 O ATOM 268 CB ARG A 20 -4.647 -8.753 2.610 1.00 10.00 C ATOM 269 CG ARG A 20 -4.246 -9.921 3.518 1.00 10.00 C ATOM 270 CD ARG A 20 -5.403 -10.915 3.678 1.00 10.00 C ATOM 271 NE ARG A 20 -6.587 -10.285 4.284 1.00 10.00 N ATOM 272 CZ ARG A 20 -7.674 -10.954 4.699 1.00 10.00 C ATOM 273 NH1 ARG A 20 -7.795 -12.258 4.423 1.00 10.00 N ATOM 274 NH2 ARG A 20 -8.623 -10.326 5.403 1.00 10.00 N ATOM 0 H ARG A 20 -6.684 -7.437 2.174 1.00 10.00 H new ATOM 0 HA ARG A 20 -5.045 -7.649 4.410 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.525 -9.045 2.034 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.843 -8.574 1.897 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.379 -10.431 3.099 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.950 -9.541 4.496 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.668 -11.324 2.703 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.080 -11.752 4.297 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.581 -9.271 4.396 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -7.063 -12.739 3.900 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -8.619 -12.771 4.736 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -8.522 -9.336 5.626 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -9.448 -10.837 5.717 1.00 10.00 H new ATOM 288 N ILE A 21 -3.811 -5.742 1.986 1.00 10.00 N ATOM 289 CA ILE A 21 -2.818 -4.700 1.715 1.00 10.00 C ATOM 290 C ILE A 21 -2.849 -3.685 2.851 1.00 10.00 C ATOM 291 O ILE A 21 -1.817 -3.397 3.450 1.00 10.00 O ATOM 292 CB ILE A 21 -3.012 -3.977 0.364 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.391 -4.955 -0.745 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.710 -3.265 -0.010 1.00 10.00 C ATOM 295 CD1 ILE A 21 -3.193 -4.450 -2.175 1.00 10.00 C ATOM 0 H ILE A 21 -4.483 -5.887 1.232 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.850 -5.197 1.649 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.825 -3.259 0.471 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.805 -5.865 -0.617 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.438 -5.230 -0.619 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.837 -2.751 -0.963 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -1.457 -2.539 0.763 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.907 -3.997 -0.097 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.494 -5.225 -2.880 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.801 -3.560 -2.334 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -2.143 -4.205 -2.332 1.00 10.00 H new ATOM 307 N GLU A 22 -4.042 -3.176 3.161 1.00 10.00 N ATOM 308 CA GLU A 22 -4.240 -2.165 4.187 1.00 10.00 C ATOM 309 C GLU A 22 -3.626 -2.642 5.499 1.00 10.00 C ATOM 310 O GLU A 22 -2.866 -1.914 6.136 1.00 10.00 O ATOM 311 CB GLU A 22 -5.730 -1.838 4.355 1.00 10.00 C ATOM 312 CG GLU A 22 -6.381 -1.546 3.004 1.00 10.00 C ATOM 313 CD GLU A 22 -7.773 -0.951 3.113 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.357 -1.041 4.214 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.217 -0.418 2.074 1.00 10.00 O ATOM 0 H GLU A 22 -4.905 -3.461 2.698 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.740 -1.246 3.882 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.238 -2.675 4.834 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.845 -0.976 5.012 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.745 -0.860 2.445 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.435 -2.471 2.429 1.00 10.00 H new ATOM 322 N LYS A 23 -3.930 -3.885 5.879 1.00 10.00 N ATOM 323 CA LYS A 23 -3.375 -4.520 7.062 1.00 10.00 C ATOM 324 C LYS A 23 -1.841 -4.500 7.021 1.00 10.00 C ATOM 325 O LYS A 23 -1.204 -4.025 7.960 1.00 10.00 O ATOM 326 CB LYS A 23 -3.927 -5.953 7.190 1.00 10.00 C ATOM 327 CG LYS A 23 -4.876 -6.151 8.383 1.00 10.00 C ATOM 328 CD LYS A 23 -4.179 -6.480 9.718 1.00 10.00 C ATOM 329 CE LYS A 23 -3.441 -5.283 10.341 1.00 10.00 C ATOM 330 NZ LYS A 23 -2.903 -5.585 11.686 1.00 10.00 N ATOM 0 H LYS A 23 -4.577 -4.481 5.363 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.678 -3.960 7.947 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.454 -6.212 6.272 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.091 -6.647 7.284 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.468 -5.245 8.512 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.572 -6.955 8.145 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.923 -6.845 10.426 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.468 -7.290 9.557 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.623 -4.983 9.685 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.123 -4.435 10.408 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.416 -4.746 12.061 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.684 -5.845 12.322 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.231 -6.376 11.622 1.00 10.00 H new ATOM 344 N ARG A 24 -1.237 -5.041 5.960 1.00 10.00 N ATOM 345 CA ARG A 24 0.219 -5.093 5.867 1.00 10.00 C ATOM 346 C ARG A 24 0.826 -3.694 5.932 1.00 10.00 C ATOM 347 O ARG A 24 1.778 -3.483 6.674 1.00 10.00 O ATOM 348 CB ARG A 24 0.680 -5.849 4.613 1.00 10.00 C ATOM 349 CG ARG A 24 0.992 -7.321 4.924 1.00 10.00 C ATOM 350 CD ARG A 24 -0.243 -8.088 5.409 1.00 10.00 C ATOM 351 NE ARG A 24 0.047 -9.526 5.524 1.00 10.00 N ATOM 352 CZ ARG A 24 -0.837 -10.455 5.920 1.00 10.00 C ATOM 353 NH1 ARG A 24 -2.037 -10.074 6.368 1.00 10.00 N ATOM 354 NH2 ARG A 24 -0.520 -11.753 5.861 1.00 10.00 N ATOM 0 H ARG A 24 -1.729 -5.444 5.163 1.00 10.00 H new ATOM 0 HA ARG A 24 0.582 -5.651 6.730 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.095 -5.794 3.849 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.567 -5.367 4.202 1.00 10.00 H new ATOM 0 HG2 ARG A 24 1.388 -7.803 4.030 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.771 -7.372 5.685 1.00 10.00 H new ATOM 0 HD2 ARG A 24 -0.562 -7.698 6.376 1.00 10.00 H new ATOM 0 HD3 ARG A 24 -1.069 -7.933 4.714 1.00 10.00 H new ATOM 0 HE ARG A 24 0.988 -9.839 5.286 1.00 10.00 H new ATOM 0 HH11 ARG A 24 -2.276 -9.083 6.407 1.00 10.00 H new ATOM 0 HH12 ARG A 24 -2.714 -10.774 6.671 1.00 10.00 H new ATOM 0 HH21 ARG A 24 0.396 -12.039 5.514 1.00 10.00 H new ATOM 0 HH22 ARG A 24 -1.194 -12.457 6.163 1.00 10.00 H new ATOM 368 N LEU A 25 0.274 -2.738 5.186 1.00 10.00 N ATOM 369 CA LEU A 25 0.758 -1.365 5.190 1.00 10.00 C ATOM 370 C LEU A 25 0.679 -0.796 6.608 1.00 10.00 C ATOM 371 O LEU A 25 1.678 -0.314 7.136 1.00 10.00 O ATOM 372 CB LEU A 25 -0.024 -0.524 4.172 1.00 10.00 C ATOM 373 CG LEU A 25 0.261 -0.945 2.718 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.717 -0.254 1.764 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.676 -0.569 2.278 1.00 10.00 C ATOM 0 H LEU A 25 -0.519 -2.896 4.565 1.00 10.00 H new ATOM 0 HA LEU A 25 1.804 -1.338 4.885 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.091 -0.617 4.372 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.233 0.527 4.300 1.00 10.00 H new ATOM 0 HG LEU A 25 0.147 -2.028 2.681 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.504 -0.561 0.740 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.738 -0.536 2.022 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.606 0.827 1.850 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.832 -0.885 1.247 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.805 0.511 2.350 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.401 -1.065 2.923 1.00 10.00 H new ATOM 387 N ASN A 26 -0.483 -0.911 7.256 1.00 10.00 N ATOM 388 CA ASN A 26 -0.672 -0.500 8.644 1.00 10.00 C ATOM 389 C ASN A 26 0.356 -1.152 9.568 1.00 10.00 C ATOM 390 O ASN A 26 0.803 -0.538 10.531 1.00 10.00 O ATOM 391 CB ASN A 26 -2.083 -0.865 9.119 1.00 10.00 C ATOM 392 CG ASN A 26 -3.098 0.238 8.840 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.480 0.976 9.739 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.561 0.349 7.600 1.00 10.00 N ATOM 0 H ASN A 26 -1.324 -1.295 6.826 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.537 0.581 8.685 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.403 -1.782 8.625 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.060 -1.071 10.189 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.254 1.064 7.376 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.224 -0.280 6.872 1.00 10.00 H new ATOM 401 N LYS A 27 0.710 -2.413 9.306 1.00 10.00 N ATOM 402 CA LYS A 27 1.691 -3.125 10.110 1.00 10.00 C ATOM 403 C LYS A 27 3.087 -2.489 10.015 1.00 10.00 C ATOM 404 O LYS A 27 3.920 -2.759 10.879 1.00 10.00 O ATOM 405 CB LYS A 27 1.675 -4.629 9.770 1.00 10.00 C ATOM 406 CG LYS A 27 2.524 -5.475 10.736 1.00 10.00 C ATOM 407 CD LYS A 27 3.919 -5.782 10.168 1.00 10.00 C ATOM 408 CE LYS A 27 4.876 -6.167 11.307 1.00 10.00 C ATOM 409 NZ LYS A 27 6.242 -6.457 10.822 1.00 10.00 N ATOM 0 H LYS A 27 0.325 -2.960 8.536 1.00 10.00 H new ATOM 0 HA LYS A 27 1.410 -3.034 11.159 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.646 -4.989 9.789 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.043 -4.770 8.754 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.628 -4.946 11.684 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.006 -6.410 10.948 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.856 -6.595 9.445 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.304 -4.912 9.637 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.916 -5.356 12.034 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.485 -7.042 11.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 6.849 -6.711 11.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.210 -7.249 10.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.629 -5.615 10.349 1.00 10.00 H new ATOM 423 N ILE A 28 3.374 -1.681 8.987 1.00 10.00 N ATOM 424 CA ILE A 28 4.657 -0.998 8.893 1.00 10.00 C ATOM 425 C ILE A 28 4.636 0.250 9.774 1.00 10.00 C ATOM 426 O ILE A 28 3.794 1.141 9.652 1.00 10.00 O ATOM 427 CB ILE A 28 5.031 -0.642 7.451 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.746 -1.737 6.427 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.465 -0.102 7.353 1.00 10.00 C ATOM 430 CD1 ILE A 28 5.546 -2.979 6.751 1.00 10.00 C ATOM 0 H ILE A 28 2.735 -1.489 8.216 1.00 10.00 H new ATOM 0 HA ILE A 28 5.426 -1.684 9.248 1.00 10.00 H new ATOM 0 HB ILE A 28 4.353 0.165 7.172 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.682 -1.972 6.423 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.998 -1.384 5.427 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.693 0.139 6.315 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.558 0.797 7.963 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.164 -0.858 7.712 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.333 -3.752 6.013 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.610 -2.742 6.732 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.273 -3.339 7.743 1.00 10.00 H new ATOM 442 N GLU A 29 5.618 0.298 10.658 1.00 10.00 N ATOM 443 CA GLU A 29 5.765 1.314 11.680 1.00 10.00 C ATOM 444 C GLU A 29 6.090 2.644 10.993 1.00 10.00 C ATOM 445 O GLU A 29 7.045 2.721 10.221 1.00 10.00 O ATOM 446 CB GLU A 29 6.833 0.846 12.679 1.00 10.00 C ATOM 447 CG GLU A 29 6.420 -0.505 13.295 1.00 10.00 C ATOM 448 CD GLU A 29 7.468 -1.057 14.251 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.632 -0.446 15.327 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.066 -2.096 13.891 1.00 10.00 O ATOM 0 H GLU A 29 6.363 -0.398 10.682 1.00 10.00 H new ATOM 0 HA GLU A 29 4.850 1.471 12.251 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.795 0.747 12.176 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.959 1.590 13.465 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.476 -0.384 13.827 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.246 -1.226 12.496 1.00 10.00 H new ATOM 457 N GLY A 30 5.248 3.659 11.213 1.00 10.00 N ATOM 458 CA GLY A 30 5.324 4.945 10.529 1.00 10.00 C ATOM 459 C GLY A 30 4.123 5.172 9.607 1.00 10.00 C ATOM 460 O GLY A 30 3.789 6.317 9.300 1.00 10.00 O ATOM 0 H GLY A 30 4.482 3.604 11.885 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.372 5.746 11.266 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.244 4.992 9.946 1.00 10.00 H new ATOM 464 N VAL A 31 3.450 4.105 9.161 1.00 10.00 N ATOM 465 CA VAL A 31 2.257 4.265 8.340 1.00 10.00 C ATOM 466 C VAL A 31 1.095 4.706 9.232 1.00 10.00 C ATOM 467 O VAL A 31 0.881 4.142 10.302 1.00 10.00 O ATOM 468 CB VAL A 31 1.962 2.979 7.552 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.684 3.127 6.713 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.135 2.671 6.611 1.00 10.00 C ATOM 0 H VAL A 31 3.710 3.138 9.354 1.00 10.00 H new ATOM 0 HA VAL A 31 2.414 5.042 7.592 1.00 10.00 H new ATOM 0 HB VAL A 31 1.825 2.168 8.268 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.499 2.203 6.166 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.161 3.335 7.370 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.805 3.949 6.007 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.924 1.759 6.053 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.270 3.499 5.915 1.00 10.00 H new ATOM 0 HG23 VAL A 31 4.045 2.536 7.196 1.00 10.00 H new ATOM 480 N ALA A 32 0.363 5.732 8.790 1.00 10.00 N ATOM 481 CA ALA A 32 -0.780 6.297 9.490 1.00 10.00 C ATOM 482 C ALA A 32 -2.080 5.714 8.935 1.00 10.00 C ATOM 483 O ALA A 32 -2.898 5.220 9.706 1.00 10.00 O ATOM 484 CB ALA A 32 -0.749 7.824 9.384 1.00 10.00 C ATOM 0 H ALA A 32 0.561 6.203 7.907 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.729 6.034 10.546 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.607 8.243 9.910 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.170 8.201 9.832 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.788 8.117 8.335 1.00 10.00 H new ATOM 490 N ASN A 33 -2.279 5.749 7.610 1.00 10.00 N ATOM 491 CA ASN A 33 -3.426 5.107 6.961 1.00 10.00 C ATOM 492 C ASN A 33 -2.992 4.591 5.591 1.00 10.00 C ATOM 493 O ASN A 33 -1.921 4.951 5.105 1.00 10.00 O ATOM 494 CB ASN A 33 -4.630 6.052 6.785 1.00 10.00 C ATOM 495 CG ASN A 33 -5.221 6.575 8.084 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.800 5.816 8.853 1.00 10.00 O ATOM 497 ND2 ASN A 33 -5.146 7.879 8.310 1.00 10.00 N ATOM 0 H ASN A 33 -1.650 6.222 6.961 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.751 4.294 7.610 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.322 6.901 6.174 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.409 5.527 6.232 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.578 8.278 9.144 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.657 8.484 7.650 1.00 10.00 H new ATOM 504 N ALA A 34 -3.834 3.768 4.960 1.00 10.00 N ATOM 505 CA ALA A 34 -3.570 3.195 3.648 1.00 10.00 C ATOM 506 C ALA A 34 -4.802 2.538 3.007 1.00 10.00 C ATOM 507 O ALA A 34 -4.712 1.376 2.621 1.00 10.00 O ATOM 508 CB ALA A 34 -2.433 2.174 3.778 1.00 10.00 C ATOM 0 H ALA A 34 -4.729 3.480 5.356 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.288 4.012 2.984 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.224 1.736 2.802 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.538 2.672 4.152 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.728 1.388 4.473 1.00 10.00 H new ATOM 514 N PRO A 35 -5.941 3.232 2.860 1.00 10.00 N ATOM 515 CA PRO A 35 -7.108 2.653 2.208 1.00 10.00 C ATOM 516 C PRO A 35 -6.847 2.424 0.708 1.00 10.00 C ATOM 517 O PRO A 35 -6.494 3.376 0.006 1.00 10.00 O ATOM 518 CB PRO A 35 -8.241 3.655 2.449 1.00 10.00 C ATOM 519 CG PRO A 35 -7.511 4.992 2.593 1.00 10.00 C ATOM 520 CD PRO A 35 -6.203 4.601 3.282 1.00 10.00 C ATOM 0 HA PRO A 35 -7.359 1.671 2.610 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.947 3.670 1.618 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.810 3.410 3.346 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.332 5.460 1.625 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.084 5.702 3.189 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.390 5.265 2.989 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.294 4.668 4.366 1.00 10.00 H new ATOM 528 N VAL A 36 -7.006 1.189 0.206 1.00 10.00 N ATOM 529 CA VAL A 36 -6.869 0.876 -1.216 1.00 10.00 C ATOM 530 C VAL A 36 -8.227 0.886 -1.926 1.00 10.00 C ATOM 531 O VAL A 36 -9.239 0.482 -1.360 1.00 10.00 O ATOM 532 CB VAL A 36 -6.092 -0.434 -1.408 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.722 -1.614 -0.680 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.942 -0.799 -2.890 1.00 10.00 C ATOM 0 H VAL A 36 -7.234 0.379 0.782 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.281 1.661 -1.692 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.110 -0.244 -0.974 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.126 -2.510 -0.855 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -6.757 -1.405 0.389 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -7.734 -1.773 -1.052 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.386 -1.732 -2.980 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.929 -0.920 -3.337 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.404 -0.005 -3.408 1.00 10.00 H new ATOM 544 N ASN A 37 -8.251 1.361 -3.176 1.00 10.00 N ATOM 545 CA ASN A 37 -9.471 1.573 -3.938 1.00 10.00 C ATOM 546 C ASN A 37 -9.600 0.570 -5.087 1.00 10.00 C ATOM 547 O ASN A 37 -8.936 0.705 -6.118 1.00 10.00 O ATOM 548 CB ASN A 37 -9.470 3.001 -4.475 1.00 10.00 C ATOM 549 CG ASN A 37 -10.638 3.194 -5.426 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.763 2.801 -5.141 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.365 3.763 -6.591 1.00 10.00 N ATOM 0 H ASN A 37 -7.405 1.611 -3.689 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.328 1.420 -3.282 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.540 3.710 -3.650 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.532 3.205 -4.991 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.103 3.886 -7.284 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.417 4.079 -6.795 1.00 10.00 H new ATOM 558 N PHE A 38 -10.512 -0.393 -4.931 1.00 10.00 N ATOM 559 CA PHE A 38 -10.807 -1.443 -5.905 1.00 10.00 C ATOM 560 C PHE A 38 -11.624 -0.886 -7.082 1.00 10.00 C ATOM 561 O PHE A 38 -12.746 -1.322 -7.332 1.00 10.00 O ATOM 562 CB PHE A 38 -11.543 -2.588 -5.183 1.00 10.00 C ATOM 563 CG PHE A 38 -11.255 -3.980 -5.714 1.00 10.00 C ATOM 564 CD1 PHE A 38 -11.743 -4.402 -6.966 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.476 -4.860 -4.944 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.419 -5.681 -7.456 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.149 -6.134 -5.435 1.00 10.00 C ATOM 568 CZ PHE A 38 -10.615 -6.546 -6.693 1.00 10.00 C ATOM 0 H PHE A 38 -11.086 -0.464 -4.091 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.880 -1.830 -6.329 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.279 -2.558 -4.126 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.616 -2.407 -5.249 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -12.367 -3.743 -7.551 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -10.127 -4.555 -3.969 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -11.789 -5.999 -8.420 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.537 -6.799 -4.843 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.357 -7.523 -7.073 1.00 10.00 H new ATOM 578 N ALA A 39 -11.076 0.099 -7.795 1.00 10.00 N ATOM 579 CA ALA A 39 -11.749 0.744 -8.923 1.00 10.00 C ATOM 580 C ALA A 39 -10.805 1.557 -9.814 1.00 10.00 C ATOM 581 O ALA A 39 -11.061 1.668 -11.009 1.00 10.00 O ATOM 582 CB ALA A 39 -12.890 1.632 -8.419 1.00 10.00 C ATOM 0 H ALA A 39 -10.147 0.474 -7.605 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.146 -0.059 -9.544 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.383 2.107 -9.267 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.611 1.023 -7.874 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.489 2.399 -7.757 1.00 10.00 H new ATOM 588 N LEU A 40 -9.773 2.181 -9.232 1.00 10.00 N ATOM 589 CA LEU A 40 -8.715 2.873 -9.972 1.00 10.00 C ATOM 590 C LEU A 40 -7.379 2.170 -9.752 1.00 10.00 C ATOM 591 O LEU A 40 -6.332 2.694 -10.128 1.00 10.00 O ATOM 592 CB LEU A 40 -8.591 4.326 -9.490 1.00 10.00 C ATOM 593 CG LEU A 40 -9.878 5.105 -9.465 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.799 6.340 -8.556 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.302 5.499 -10.872 1.00 10.00 C ATOM 0 H LEU A 40 -9.650 2.219 -8.220 1.00 10.00 H new ATOM 0 HA LEU A 40 -8.973 2.859 -11.031 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.167 4.324 -8.486 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.882 4.846 -10.134 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.637 4.446 -9.043 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.753 6.866 -8.574 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.576 6.027 -7.536 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.012 7.004 -8.912 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -11.235 6.061 -10.827 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.527 6.117 -11.326 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.448 4.601 -11.473 1.00 10.00 H new ATOM 607 N GLU A 41 -7.418 1.045 -9.038 1.00 10.00 N ATOM 608 CA GLU A 41 -6.273 0.201 -8.739 1.00 10.00 C ATOM 609 C GLU A 41 -5.176 1.048 -8.103 1.00 10.00 C ATOM 610 O GLU A 41 -4.006 0.950 -8.459 1.00 10.00 O ATOM 611 CB GLU A 41 -5.787 -0.526 -10.001 1.00 10.00 C ATOM 612 CG GLU A 41 -6.816 -1.518 -10.561 1.00 10.00 C ATOM 613 CD GLU A 41 -7.656 -0.945 -11.700 1.00 10.00 C ATOM 614 OE1 GLU A 41 -8.482 -0.054 -11.408 1.00 10.00 O ATOM 615 OE2 GLU A 41 -7.470 -1.426 -12.838 1.00 10.00 O ATOM 0 H GLU A 41 -8.285 0.687 -8.638 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.562 -0.572 -8.027 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.548 0.211 -10.768 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -4.864 -1.060 -9.773 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -6.296 -2.408 -10.916 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.478 -1.836 -9.756 1.00 10.00 H new ATOM 622 N THR A 42 -5.583 1.898 -7.161 1.00 10.00 N ATOM 623 CA THR A 42 -4.735 2.878 -6.510 1.00 10.00 C ATOM 624 C THR A 42 -4.950 2.790 -4.998 1.00 10.00 C ATOM 625 O THR A 42 -6.073 2.553 -4.550 1.00 10.00 O ATOM 626 CB THR A 42 -5.045 4.277 -7.058 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.826 4.322 -8.456 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.135 5.332 -6.427 1.00 10.00 C ATOM 0 H THR A 42 -6.545 1.919 -6.824 1.00 10.00 H new ATOM 0 HA THR A 42 -3.684 2.676 -6.717 1.00 10.00 H new ATOM 0 HB THR A 42 -6.088 4.486 -6.819 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.463 3.728 -8.906 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.378 6.313 -6.835 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.283 5.341 -5.347 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.095 5.095 -6.649 1.00 10.00 H new ATOM 636 N VAL A 43 -3.883 2.973 -4.217 1.00 10.00 N ATOM 637 CA VAL A 43 -3.925 3.145 -2.771 1.00 10.00 C ATOM 638 C VAL A 43 -3.304 4.495 -2.442 1.00 10.00 C ATOM 639 O VAL A 43 -2.303 4.870 -3.054 1.00 10.00 O ATOM 640 CB VAL A 43 -3.218 1.977 -2.049 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.762 1.792 -2.486 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.252 2.130 -0.524 1.00 10.00 C ATOM 0 H VAL A 43 -2.935 3.006 -4.591 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.955 3.130 -2.415 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.784 1.092 -2.340 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.322 0.956 -1.942 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.726 1.588 -3.556 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.199 2.701 -2.271 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.742 1.284 -0.062 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.751 3.055 -0.240 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.287 2.159 -0.184 1.00 10.00 H new ATOM 652 N THR A 44 -3.902 5.204 -1.480 1.00 10.00 N ATOM 653 CA THR A 44 -3.334 6.435 -0.937 1.00 10.00 C ATOM 654 C THR A 44 -2.764 6.083 0.431 1.00 10.00 C ATOM 655 O THR A 44 -3.528 5.844 1.363 1.00 10.00 O ATOM 656 CB THR A 44 -4.394 7.538 -0.822 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.205 7.571 -1.979 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.764 8.919 -0.630 1.00 10.00 C ATOM 0 H THR A 44 -4.792 4.939 -1.058 1.00 10.00 H new ATOM 0 HA THR A 44 -2.559 6.825 -1.597 1.00 10.00 H new ATOM 0 HB THR A 44 -4.997 7.302 0.054 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.876 8.279 -1.888 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.550 9.670 -0.553 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.168 8.923 0.282 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.125 9.149 -1.482 1.00 10.00 H new ATOM 666 N VAL A 45 -1.442 6.003 0.549 1.00 10.00 N ATOM 667 CA VAL A 45 -0.791 5.675 1.802 1.00 10.00 C ATOM 668 C VAL A 45 -0.426 6.975 2.502 1.00 10.00 C ATOM 669 O VAL A 45 0.359 7.775 1.990 1.00 10.00 O ATOM 670 CB VAL A 45 0.407 4.756 1.558 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.086 4.353 2.873 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.090 3.492 0.845 1.00 10.00 C ATOM 0 H VAL A 45 -0.797 6.165 -0.224 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.459 5.116 2.458 1.00 10.00 H new ATOM 0 HB VAL A 45 1.138 5.290 0.951 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.933 3.700 2.660 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.437 5.246 3.390 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.371 3.826 3.505 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.751 2.823 0.662 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.826 2.987 1.471 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.549 3.767 -0.105 1.00 10.00 H new ATOM 682 N GLU A 46 -1.010 7.163 3.682 1.00 10.00 N ATOM 683 CA GLU A 46 -0.664 8.234 4.594 1.00 10.00 C ATOM 684 C GLU A 46 0.449 7.729 5.494 1.00 10.00 C ATOM 685 O GLU A 46 0.243 6.757 6.225 1.00 10.00 O ATOM 686 CB GLU A 46 -1.878 8.646 5.429 1.00 10.00 C ATOM 687 CG GLU A 46 -2.560 9.849 4.792 1.00 10.00 C ATOM 688 CD GLU A 46 -3.738 10.367 5.599 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.221 9.606 6.467 1.00 10.00 O ATOM 690 OE2 GLU A 46 -4.125 11.525 5.334 1.00 10.00 O ATOM 0 H GLU A 46 -1.753 6.558 4.033 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.337 9.112 4.037 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.580 7.815 5.501 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.566 8.889 6.445 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.831 10.650 4.671 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -2.903 9.577 3.794 1.00 10.00 H new ATOM 697 N TYR A 47 1.605 8.392 5.472 1.00 10.00 N ATOM 698 CA TYR A 47 2.707 8.055 6.355 1.00 10.00 C ATOM 699 C TYR A 47 3.601 9.270 6.553 1.00 10.00 C ATOM 700 O TYR A 47 3.369 10.325 5.957 1.00 10.00 O ATOM 701 CB TYR A 47 3.486 6.839 5.826 1.00 10.00 C ATOM 702 CG TYR A 47 4.395 7.077 4.636 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.865 7.134 3.335 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.792 7.076 4.816 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.727 7.126 2.224 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.648 7.139 3.706 1.00 10.00 C ATOM 707 CZ TYR A 47 6.119 7.133 2.407 1.00 10.00 C ATOM 708 OH TYR A 47 6.960 7.079 1.331 1.00 10.00 O ATOM 0 H TYR A 47 1.797 9.172 4.844 1.00 10.00 H new ATOM 0 HA TYR A 47 2.310 7.770 7.329 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.090 6.441 6.641 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.767 6.066 5.555 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.796 7.184 3.189 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.206 7.027 5.812 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.316 7.114 1.225 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.717 7.192 3.852 1.00 10.00 H new ATOM 0 HH TYR A 47 7.889 7.094 1.641 1.00 10.00 H new ATOM 718 N ASN A 48 4.616 9.103 7.402 1.00 10.00 N ATOM 719 CA ASN A 48 5.657 10.081 7.651 1.00 10.00 C ATOM 720 C ASN A 48 6.970 9.584 7.033 1.00 10.00 C ATOM 721 O ASN A 48 7.454 8.518 7.410 1.00 10.00 O ATOM 722 CB ASN A 48 5.773 10.344 9.163 1.00 10.00 C ATOM 723 CG ASN A 48 5.775 9.116 10.076 1.00 10.00 C ATOM 724 OD1 ASN A 48 6.098 8.005 9.676 1.00 10.00 O ATOM 725 ND2 ASN A 48 5.383 9.305 11.333 1.00 10.00 N ATOM 0 H ASN A 48 4.733 8.251 7.950 1.00 10.00 H new ATOM 0 HA ASN A 48 5.411 11.034 7.182 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.692 10.902 9.342 1.00 10.00 H new ATOM 0 HB3 ASN A 48 4.946 10.988 9.461 1.00 10.00 H new ATOM 0 HD21 ASN A 48 5.348 8.517 11.980 1.00 10.00 H new ATOM 0 HD22 ASN A 48 5.117 10.238 11.650 1.00 10.00 H new ATOM 732 N PRO A 49 7.582 10.308 6.079 1.00 10.00 N ATOM 733 CA PRO A 49 8.816 9.874 5.435 1.00 10.00 C ATOM 734 C PRO A 49 10.015 10.134 6.354 1.00 10.00 C ATOM 735 O PRO A 49 10.927 10.890 6.021 1.00 10.00 O ATOM 736 CB PRO A 49 8.877 10.671 4.129 1.00 10.00 C ATOM 737 CG PRO A 49 8.224 11.992 4.526 1.00 10.00 C ATOM 738 CD PRO A 49 7.114 11.550 5.483 1.00 10.00 C ATOM 0 HA PRO A 49 8.842 8.804 5.231 1.00 10.00 H new ATOM 0 HB2 PRO A 49 9.902 10.811 3.785 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.335 10.175 3.324 1.00 10.00 H new ATOM 0 HG2 PRO A 49 8.933 12.663 5.011 1.00 10.00 H new ATOM 0 HG3 PRO A 49 7.825 12.521 3.661 1.00 10.00 H new ATOM 0 HD2 PRO A 49 6.931 12.306 6.246 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.175 11.400 4.951 1.00 10.00 H new ATOM 746 N LYS A 50 10.002 9.509 7.532 1.00 10.00 N ATOM 747 CA LYS A 50 11.055 9.595 8.530 1.00 10.00 C ATOM 748 C LYS A 50 11.215 8.270 9.294 1.00 10.00 C ATOM 749 O LYS A 50 12.084 8.184 10.156 1.00 10.00 O ATOM 750 CB LYS A 50 10.738 10.759 9.483 1.00 10.00 C ATOM 751 CG LYS A 50 12.021 11.429 9.988 1.00 10.00 C ATOM 752 CD LYS A 50 11.694 12.423 11.107 1.00 10.00 C ATOM 753 CE LYS A 50 12.932 13.266 11.444 1.00 10.00 C ATOM 754 NZ LYS A 50 12.725 14.102 12.644 1.00 10.00 N ATOM 0 H LYS A 50 9.229 8.910 7.822 1.00 10.00 H new ATOM 0 HA LYS A 50 12.007 9.784 8.035 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.119 11.494 8.969 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.159 10.391 10.330 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.715 10.673 10.355 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.518 11.945 9.167 1.00 10.00 H new ATOM 0 HD2 LYS A 50 10.875 13.073 10.799 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.358 11.886 11.994 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.786 12.608 11.604 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.177 13.905 10.595 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.585 14.654 12.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 11.927 14.749 12.483 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.517 13.492 13.460 1.00 10.00 H new ATOM 768 N GLU A 51 10.380 7.269 8.986 1.00 10.00 N ATOM 769 CA GLU A 51 10.316 5.977 9.655 1.00 10.00 C ATOM 770 C GLU A 51 10.250 4.901 8.570 1.00 10.00 C ATOM 771 O GLU A 51 11.196 4.143 8.375 1.00 10.00 O ATOM 772 CB GLU A 51 9.065 5.937 10.549 1.00 10.00 C ATOM 773 CG GLU A 51 9.232 6.737 11.850 1.00 10.00 C ATOM 774 CD GLU A 51 9.982 5.942 12.912 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.357 5.003 13.446 1.00 10.00 O ATOM 776 OE2 GLU A 51 11.149 6.295 13.178 1.00 10.00 O ATOM 0 H GLU A 51 9.702 7.348 8.228 1.00 10.00 H new ATOM 0 HA GLU A 51 11.189 5.808 10.286 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.215 6.332 9.993 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.833 4.900 10.793 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.770 7.662 11.641 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.251 7.018 12.232 1.00 10.00 H new ATOM 783 N ALA A 52 9.137 4.874 7.830 1.00 10.00 N ATOM 784 CA ALA A 52 8.926 4.008 6.689 1.00 10.00 C ATOM 785 C ALA A 52 9.239 4.792 5.417 1.00 10.00 C ATOM 786 O ALA A 52 9.343 6.019 5.436 1.00 10.00 O ATOM 787 CB ALA A 52 7.464 3.552 6.686 1.00 10.00 C ATOM 0 H ALA A 52 8.338 5.478 8.024 1.00 10.00 H new ATOM 0 HA ALA A 52 9.575 3.134 6.740 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.289 2.898 5.832 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.250 3.010 7.607 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.812 4.422 6.617 1.00 10.00 H new ATOM 793 N SER A 53 9.355 4.071 4.306 1.00 10.00 N ATOM 794 CA SER A 53 9.452 4.608 2.970 1.00 10.00 C ATOM 795 C SER A 53 8.663 3.728 2.005 1.00 10.00 C ATOM 796 O SER A 53 8.477 2.533 2.248 1.00 10.00 O ATOM 797 CB SER A 53 10.916 4.671 2.563 1.00 10.00 C ATOM 798 OG SER A 53 11.547 3.417 2.714 1.00 10.00 O ATOM 0 H SER A 53 9.384 3.052 4.323 1.00 10.00 H new ATOM 0 HA SER A 53 9.033 5.614 2.942 1.00 10.00 H new ATOM 0 HB2 SER A 53 10.993 4.996 1.526 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.432 5.415 3.170 1.00 10.00 H new ATOM 0 HG SER A 53 12.486 3.489 2.443 1.00 10.00 H new ATOM 804 N VAL A 54 8.237 4.332 0.891 1.00 10.00 N ATOM 805 CA VAL A 54 7.542 3.661 -0.198 1.00 10.00 C ATOM 806 C VAL A 54 8.267 2.377 -0.623 1.00 10.00 C ATOM 807 O VAL A 54 7.641 1.332 -0.770 1.00 10.00 O ATOM 808 CB VAL A 54 7.297 4.642 -1.359 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.570 5.279 -1.933 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.505 3.983 -2.492 1.00 10.00 C ATOM 0 H VAL A 54 8.373 5.329 0.723 1.00 10.00 H new ATOM 0 HA VAL A 54 6.562 3.337 0.153 1.00 10.00 H new ATOM 0 HB VAL A 54 6.714 5.449 -0.914 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.304 5.955 -2.745 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.083 5.837 -1.150 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.229 4.498 -2.312 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.350 4.704 -3.295 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.061 3.127 -2.875 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.539 3.648 -2.114 1.00 10.00 H new ATOM 820 N SER A 55 9.589 2.447 -0.817 1.00 10.00 N ATOM 821 CA SER A 55 10.367 1.317 -1.313 1.00 10.00 C ATOM 822 C SER A 55 10.289 0.128 -0.350 1.00 10.00 C ATOM 823 O SER A 55 10.109 -1.011 -0.780 1.00 10.00 O ATOM 824 CB SER A 55 11.821 1.738 -1.572 1.00 10.00 C ATOM 825 OG SER A 55 12.406 0.870 -2.524 1.00 10.00 O ATOM 0 H SER A 55 10.142 3.284 -0.635 1.00 10.00 H new ATOM 0 HA SER A 55 9.937 0.994 -2.261 1.00 10.00 H new ATOM 0 HB2 SER A 55 11.853 2.766 -1.934 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.389 1.710 -0.642 1.00 10.00 H new ATOM 0 HG SER A 55 13.333 1.142 -2.689 1.00 10.00 H new ATOM 831 N ASP A 56 10.398 0.393 0.955 1.00 10.00 N ATOM 832 CA ASP A 56 10.394 -0.653 1.964 1.00 10.00 C ATOM 833 C ASP A 56 9.025 -1.311 1.953 1.00 10.00 C ATOM 834 O ASP A 56 8.896 -2.518 1.745 1.00 10.00 O ATOM 835 CB ASP A 56 10.703 -0.062 3.347 1.00 10.00 C ATOM 836 CG ASP A 56 12.195 0.132 3.587 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.914 0.394 2.600 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.583 0.024 4.769 1.00 10.00 O ATOM 0 H ASP A 56 10.491 1.336 1.333 1.00 10.00 H new ATOM 0 HA ASP A 56 11.163 -1.394 1.744 1.00 10.00 H new ATOM 0 HB2 ASP A 56 10.196 0.897 3.449 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.298 -0.719 4.117 1.00 10.00 H new ATOM 843 N LEU A 57 7.982 -0.498 2.145 1.00 10.00 N ATOM 844 CA LEU A 57 6.626 -1.019 2.182 1.00 10.00 C ATOM 845 C LEU A 57 6.259 -1.722 0.872 1.00 10.00 C ATOM 846 O LEU A 57 5.464 -2.663 0.889 1.00 10.00 O ATOM 847 CB LEU A 57 5.634 0.050 2.658 1.00 10.00 C ATOM 848 CG LEU A 57 5.367 1.218 1.701 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.544 0.829 0.465 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.640 2.328 2.471 1.00 10.00 C ATOM 0 H LEU A 57 8.056 0.511 2.275 1.00 10.00 H new ATOM 0 HA LEU A 57 6.564 -1.805 2.934 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.683 -0.439 2.871 1.00 10.00 H new ATOM 0 HB3 LEU A 57 6.000 0.459 3.600 1.00 10.00 H new ATOM 0 HG LEU A 57 6.335 1.556 1.330 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.396 1.706 -0.164 1.00 10.00 H new ATOM 0 HD12 LEU A 57 5.075 0.063 -0.100 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.575 0.441 0.780 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.443 3.166 1.802 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.696 1.944 2.859 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.263 2.664 3.300 1.00 10.00 H new ATOM 862 N LYS A 58 6.884 -1.333 -0.250 1.00 10.00 N ATOM 863 CA LYS A 58 6.770 -2.066 -1.501 1.00 10.00 C ATOM 864 C LYS A 58 6.989 -3.558 -1.245 1.00 10.00 C ATOM 865 O LYS A 58 6.122 -4.363 -1.564 1.00 10.00 O ATOM 866 CB LYS A 58 7.741 -1.530 -2.569 1.00 10.00 C ATOM 867 CG LYS A 58 7.088 -1.446 -3.951 1.00 10.00 C ATOM 868 CD LYS A 58 6.620 -2.794 -4.522 1.00 10.00 C ATOM 869 CE LYS A 58 7.656 -3.472 -5.431 1.00 10.00 C ATOM 870 NZ LYS A 58 8.654 -4.262 -4.685 1.00 10.00 N ATOM 0 H LYS A 58 7.477 -0.505 -0.306 1.00 10.00 H new ATOM 0 HA LYS A 58 5.764 -1.920 -1.895 1.00 10.00 H new ATOM 0 HB2 LYS A 58 8.093 -0.542 -2.274 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.616 -2.178 -2.621 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.232 -0.774 -3.893 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.798 -0.999 -4.647 1.00 10.00 H new ATOM 0 HD2 LYS A 58 6.380 -3.464 -3.697 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.700 -2.640 -5.086 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.140 -4.123 -6.137 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.170 -2.710 -6.017 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 9.600 -4.089 -5.081 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.641 -3.982 -3.684 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 8.426 -5.274 -4.764 1.00 10.00 H new ATOM 884 N GLU A 59 8.125 -3.938 -0.656 1.00 10.00 N ATOM 885 CA GLU A 59 8.437 -5.342 -0.396 1.00 10.00 C ATOM 886 C GLU A 59 7.303 -6.013 0.389 1.00 10.00 C ATOM 887 O GLU A 59 6.933 -7.153 0.134 1.00 10.00 O ATOM 888 CB GLU A 59 9.780 -5.428 0.344 1.00 10.00 C ATOM 889 CG GLU A 59 10.446 -6.813 0.249 1.00 10.00 C ATOM 890 CD GLU A 59 9.983 -7.780 1.338 1.00 10.00 C ATOM 891 OE1 GLU A 59 10.182 -7.435 2.522 1.00 10.00 O ATOM 892 OE2 GLU A 59 9.453 -8.853 0.977 1.00 10.00 O ATOM 0 H GLU A 59 8.847 -3.287 -0.349 1.00 10.00 H new ATOM 0 HA GLU A 59 8.528 -5.882 -1.339 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.459 -4.679 -0.063 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.624 -5.180 1.394 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.231 -7.246 -0.728 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.528 -6.694 0.314 1.00 10.00 H new ATOM 899 N ALA A 60 6.703 -5.265 1.311 1.00 10.00 N ATOM 900 CA ALA A 60 5.696 -5.774 2.229 1.00 10.00 C ATOM 901 C ALA A 60 4.401 -6.118 1.498 1.00 10.00 C ATOM 902 O ALA A 60 3.733 -7.087 1.857 1.00 10.00 O ATOM 903 CB ALA A 60 5.447 -4.780 3.367 1.00 10.00 C ATOM 0 H ALA A 60 6.908 -4.274 1.441 1.00 10.00 H new ATOM 0 HA ALA A 60 6.076 -6.697 2.667 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.690 -5.181 4.041 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.374 -4.617 3.917 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.099 -3.833 2.954 1.00 10.00 H new ATOM 909 N VAL A 61 4.030 -5.335 0.482 1.00 10.00 N ATOM 910 CA VAL A 61 2.896 -5.659 -0.360 1.00 10.00 C ATOM 911 C VAL A 61 3.272 -6.721 -1.392 1.00 10.00 C ATOM 912 O VAL A 61 2.534 -7.684 -1.572 1.00 10.00 O ATOM 913 CB VAL A 61 2.320 -4.388 -0.988 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.731 -3.482 0.100 1.00 10.00 C ATOM 915 CG2 VAL A 61 3.284 -3.564 -1.836 1.00 10.00 C ATOM 0 H VAL A 61 4.507 -4.470 0.229 1.00 10.00 H new ATOM 0 HA VAL A 61 2.106 -6.094 0.252 1.00 10.00 H new ATOM 0 HB VAL A 61 1.558 -4.754 -1.676 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.324 -2.581 -0.358 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.937 -4.013 0.625 1.00 10.00 H new ATOM 0 HG13 VAL A 61 2.513 -3.208 0.808 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.766 -2.689 -2.229 1.00 10.00 H new ATOM 0 HG22 VAL A 61 4.125 -3.243 -1.222 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.650 -4.171 -2.664 1.00 10.00 H new ATOM 925 N ASP A 62 4.435 -6.569 -2.027 1.00 10.00 N ATOM 926 CA ASP A 62 5.019 -7.528 -2.969 1.00 10.00 C ATOM 927 C ASP A 62 4.937 -8.941 -2.375 1.00 10.00 C ATOM 928 O ASP A 62 4.452 -9.875 -3.012 1.00 10.00 O ATOM 929 CB ASP A 62 6.469 -7.110 -3.276 1.00 10.00 C ATOM 930 CG ASP A 62 6.943 -7.419 -4.688 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.548 -8.451 -5.261 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.706 -6.562 -5.190 1.00 10.00 O ATOM 0 H ASP A 62 5.019 -5.743 -1.895 1.00 10.00 H new ATOM 0 HA ASP A 62 4.465 -7.534 -3.908 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.566 -6.038 -3.103 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.132 -7.609 -2.569 1.00 10.00 H new ATOM 937 N LYS A 63 5.319 -9.064 -1.096 1.00 10.00 N ATOM 938 CA LYS A 63 5.239 -10.286 -0.298 1.00 10.00 C ATOM 939 C LYS A 63 3.881 -10.995 -0.419 1.00 10.00 C ATOM 940 O LYS A 63 3.822 -12.222 -0.355 1.00 10.00 O ATOM 941 CB LYS A 63 5.530 -9.938 1.171 1.00 10.00 C ATOM 942 CG LYS A 63 5.710 -11.166 2.069 1.00 10.00 C ATOM 943 CD LYS A 63 5.866 -10.708 3.527 1.00 10.00 C ATOM 944 CE LYS A 63 5.884 -11.887 4.508 1.00 10.00 C ATOM 945 NZ LYS A 63 7.055 -12.766 4.303 1.00 10.00 N ATOM 0 H LYS A 63 5.708 -8.280 -0.572 1.00 10.00 H new ATOM 0 HA LYS A 63 5.982 -10.984 -0.682 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.432 -9.328 1.219 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.713 -9.330 1.560 1.00 10.00 H new ATOM 0 HG2 LYS A 63 4.851 -11.830 1.974 1.00 10.00 H new ATOM 0 HG3 LYS A 63 6.587 -11.733 1.758 1.00 10.00 H new ATOM 0 HD2 LYS A 63 6.790 -10.138 3.630 1.00 10.00 H new ATOM 0 HD3 LYS A 63 5.047 -10.036 3.784 1.00 10.00 H new ATOM 0 HE2 LYS A 63 5.891 -11.507 5.530 1.00 10.00 H new ATOM 0 HE3 LYS A 63 4.970 -12.469 4.391 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 7.026 -13.549 4.987 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 7.036 -13.150 3.337 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 7.928 -12.218 4.440 1.00 10.00 H new ATOM 959 N LEU A 64 2.783 -10.242 -0.529 1.00 10.00 N ATOM 960 CA LEU A 64 1.437 -10.797 -0.625 1.00 10.00 C ATOM 961 C LEU A 64 1.187 -11.440 -1.994 1.00 10.00 C ATOM 962 O LEU A 64 0.338 -12.323 -2.093 1.00 10.00 O ATOM 963 CB LEU A 64 0.388 -9.713 -0.339 1.00 10.00 C ATOM 964 CG LEU A 64 0.435 -9.207 1.113 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.106 -7.778 1.247 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.397 -10.134 2.006 1.00 10.00 C ATOM 0 H LEU A 64 2.807 -9.223 -0.554 1.00 10.00 H new ATOM 0 HA LEU A 64 1.348 -11.580 0.128 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.545 -8.874 -1.017 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.605 -10.110 -0.549 1.00 10.00 H new ATOM 0 HG LEU A 64 1.480 -9.205 1.422 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.052 -7.465 2.290 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.492 -7.104 0.634 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.143 -7.749 0.912 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.363 -9.775 3.035 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.430 -10.143 1.659 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.010 -11.144 1.961 1.00 10.00 H new ATOM 978 N GLY A 65 1.901 -11.012 -3.041 1.00 10.00 N ATOM 979 CA GLY A 65 1.845 -11.613 -4.367 1.00 10.00 C ATOM 980 C GLY A 65 1.637 -10.550 -5.441 1.00 10.00 C ATOM 981 O GLY A 65 2.408 -10.459 -6.395 1.00 10.00 O ATOM 0 H GLY A 65 2.545 -10.223 -2.983 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.769 -12.157 -4.563 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.033 -12.339 -4.407 1.00 10.00 H new ATOM 985 N TYR A 66 0.574 -9.756 -5.299 1.00 10.00 N ATOM 986 CA TYR A 66 0.321 -8.627 -6.189 1.00 10.00 C ATOM 987 C TYR A 66 1.413 -7.575 -6.026 1.00 10.00 C ATOM 988 O TYR A 66 2.065 -7.501 -4.984 1.00 10.00 O ATOM 989 CB TYR A 66 -1.072 -8.029 -5.959 1.00 10.00 C ATOM 990 CG TYR A 66 -1.573 -8.093 -4.535 1.00 10.00 C ATOM 991 CD1 TYR A 66 -1.046 -7.220 -3.569 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.430 -9.139 -4.148 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.423 -7.360 -2.225 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.772 -9.299 -2.798 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.320 -8.377 -1.846 1.00 10.00 C ATOM 996 OH TYR A 66 -2.717 -8.515 -0.551 1.00 10.00 O ATOM 0 H TYR A 66 -0.129 -9.878 -4.570 1.00 10.00 H new ATOM 0 HA TYR A 66 0.344 -8.990 -7.216 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -1.059 -6.986 -6.276 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.783 -8.548 -6.601 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.353 -6.444 -3.860 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.824 -9.818 -4.890 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -1.025 -6.687 -1.480 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.385 -10.134 -2.492 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.593 -8.093 -0.431 1.00 10.00 H new ATOM 1006 N LYS A 67 1.604 -6.763 -7.065 1.00 10.00 N ATOM 1007 CA LYS A 67 2.668 -5.770 -7.116 1.00 10.00 C ATOM 1008 C LYS A 67 2.109 -4.363 -6.973 1.00 10.00 C ATOM 1009 O LYS A 67 0.901 -4.147 -7.043 1.00 10.00 O ATOM 1010 CB LYS A 67 3.505 -5.938 -8.391 1.00 10.00 C ATOM 1011 CG LYS A 67 4.655 -6.896 -8.099 1.00 10.00 C ATOM 1012 CD LYS A 67 5.550 -7.088 -9.326 1.00 10.00 C ATOM 1013 CE LYS A 67 6.779 -7.910 -8.915 1.00 10.00 C ATOM 1014 NZ LYS A 67 7.738 -8.061 -10.026 1.00 10.00 N ATOM 0 H LYS A 67 1.018 -6.779 -7.900 1.00 10.00 H new ATOM 0 HA LYS A 67 3.335 -5.932 -6.269 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.887 -6.326 -9.200 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.891 -4.973 -8.719 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.249 -6.511 -7.270 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.256 -7.860 -7.784 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.001 -7.599 -10.118 1.00 10.00 H new ATOM 0 HD3 LYS A 67 5.858 -6.121 -9.724 1.00 10.00 H new ATOM 0 HE2 LYS A 67 7.273 -7.427 -8.072 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.459 -8.895 -8.575 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 8.553 -8.622 -9.707 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 7.274 -8.545 -10.821 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 8.063 -7.122 -10.334 1.00 10.00 H new ATOM 1028 N LEU A 68 3.019 -3.416 -6.738 1.00 10.00 N ATOM 1029 CA LEU A 68 2.725 -2.036 -6.434 1.00 10.00 C ATOM 1030 C LEU A 68 3.842 -1.196 -7.043 1.00 10.00 C ATOM 1031 O LEU A 68 4.955 -1.696 -7.229 1.00 10.00 O ATOM 1032 CB LEU A 68 2.635 -1.875 -4.909 1.00 10.00 C ATOM 1033 CG LEU A 68 2.233 -0.475 -4.412 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.188 -0.558 -3.290 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.470 0.269 -3.887 1.00 10.00 C ATOM 0 H LEU A 68 4.020 -3.610 -6.758 1.00 10.00 H new ATOM 0 HA LEU A 68 1.772 -1.710 -6.850 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.914 -2.598 -4.527 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.602 -2.131 -4.477 1.00 10.00 H new ATOM 0 HG LEU A 68 1.799 0.064 -5.254 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.926 0.448 -2.962 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.296 -1.063 -3.660 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.599 -1.118 -2.450 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.178 1.259 -3.537 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.909 -0.292 -3.062 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.202 0.369 -4.689 1.00 10.00 H new ATOM 1047 N LYS A 69 3.551 0.065 -7.343 1.00 10.00 N ATOM 1048 CA LYS A 69 4.493 1.061 -7.829 1.00 10.00 C ATOM 1049 C LYS A 69 3.968 2.447 -7.474 1.00 10.00 C ATOM 1050 O LYS A 69 2.813 2.587 -7.088 1.00 10.00 O ATOM 1051 CB LYS A 69 4.687 0.950 -9.349 1.00 10.00 C ATOM 1052 CG LYS A 69 5.609 -0.213 -9.735 1.00 10.00 C ATOM 1053 CD LYS A 69 6.310 0.095 -11.065 1.00 10.00 C ATOM 1054 CE LYS A 69 7.370 -0.966 -11.384 1.00 10.00 C ATOM 1055 NZ LYS A 69 8.119 -0.636 -12.614 1.00 10.00 N ATOM 0 H LYS A 69 2.606 0.436 -7.249 1.00 10.00 H new ATOM 0 HA LYS A 69 5.461 0.891 -7.357 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.717 0.816 -9.828 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.104 1.883 -9.729 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.350 -0.376 -8.953 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.031 -1.133 -9.823 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.574 0.132 -11.868 1.00 10.00 H new ATOM 0 HD3 LYS A 69 6.778 1.078 -11.015 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.063 -1.051 -10.547 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.889 -1.937 -11.500 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.827 -1.375 -12.798 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.460 -0.579 -13.417 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 8.598 0.279 -12.494 1.00 10.00 H new ATOM 1069 N LEU A 70 4.821 3.463 -7.609 1.00 10.00 N ATOM 1070 CA LEU A 70 4.459 4.850 -7.352 1.00 10.00 C ATOM 1071 C LEU A 70 3.376 5.326 -8.311 1.00 10.00 C ATOM 1072 O LEU A 70 3.334 4.914 -9.470 1.00 10.00 O ATOM 1073 CB LEU A 70 5.717 5.732 -7.362 1.00 10.00 C ATOM 1074 CG LEU A 70 5.526 7.258 -7.486 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.770 7.952 -6.917 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.365 7.725 -8.942 1.00 10.00 C ATOM 0 H LEU A 70 5.790 3.341 -7.903 1.00 10.00 H new ATOM 0 HA LEU A 70 4.023 4.931 -6.356 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.269 5.537 -6.443 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.348 5.405 -8.188 1.00 10.00 H new ATOM 0 HG LEU A 70 4.616 7.513 -6.943 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.652 9.033 -6.997 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.893 7.677 -5.870 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.650 7.641 -7.480 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.234 8.807 -8.965 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.254 7.455 -9.511 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.492 7.245 -9.384 1.00 10.00 H new ATOM 1088 N LYS A 71 2.524 6.216 -7.803 1.00 10.00 N ATOM 1089 CA LYS A 71 1.462 6.881 -8.542 1.00 10.00 C ATOM 1090 C LYS A 71 1.550 8.402 -8.425 1.00 10.00 C ATOM 1091 O LYS A 71 1.450 9.091 -9.439 1.00 10.00 O ATOM 1092 CB LYS A 71 0.082 6.325 -8.164 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.968 6.556 -9.255 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.825 5.497 -10.360 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.377 5.950 -11.713 1.00 10.00 C ATOM 1096 NZ LYS A 71 -0.584 7.062 -12.274 1.00 10.00 N ATOM 0 H LYS A 71 2.560 6.502 -6.825 1.00 10.00 H new ATOM 0 HA LYS A 71 1.604 6.657 -9.599 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.167 5.256 -7.968 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.253 6.793 -7.238 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.968 6.510 -8.824 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.850 7.553 -9.679 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.229 5.241 -10.473 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.342 4.589 -10.051 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -1.373 5.111 -12.409 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.415 6.263 -11.598 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -0.775 7.145 -13.293 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -0.846 7.949 -11.799 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 0.428 6.876 -12.126 1.00 10.00 H new