USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 313 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -121:sc= -0.155 (180deg=-1.61!) USER MOD Single : A 8 ASN : amide:sc= -0.0368 K(o=-0.037,f=-1.4) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.4) USER MOD Single : A 21 THR OG1 : rot 23:sc= -0.786 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -57:sc= 1.07 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 107:sc= -1.59 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.609 0.438 -15.244 1.00 0.00 N ATOM 2 CA LEU A 1 1.437 1.250 -14.005 1.00 0.00 C ATOM 3 C LEU A 1 1.956 0.460 -12.803 1.00 0.00 C ATOM 4 O LEU A 1 1.747 -0.734 -12.697 1.00 0.00 O ATOM 5 CB LEU A 1 -0.046 1.570 -13.807 1.00 0.00 C ATOM 6 CG LEU A 1 -0.376 2.903 -14.479 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.709 2.664 -15.952 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.581 3.539 -13.782 1.00 0.00 C ATOM 0 H1 LEU A 1 2.211 0.955 -15.917 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.057 -0.470 -15.005 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.679 0.262 -15.676 1.00 0.00 H new ATOM 0 HA LEU A 1 1.998 2.180 -14.097 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -0.660 0.775 -14.231 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.279 1.620 -12.743 1.00 0.00 H new ATOM 0 HG LEU A 1 0.483 3.570 -14.405 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.944 3.615 -16.431 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.148 2.209 -16.450 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -1.568 1.997 -16.027 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.818 4.490 -14.260 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -2.439 2.871 -13.857 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.345 3.710 -12.732 1.00 0.00 H new ATOM 22 N LEU A 2 2.630 1.121 -11.895 1.00 0.00 N ATOM 23 CA LEU A 2 3.168 0.418 -10.694 1.00 0.00 C ATOM 24 C LEU A 2 2.114 0.424 -9.585 1.00 0.00 C ATOM 25 O LEU A 2 1.984 1.383 -8.848 1.00 0.00 O ATOM 26 CB LEU A 2 4.427 1.137 -10.205 1.00 0.00 C ATOM 27 CG LEU A 2 5.636 0.649 -11.006 1.00 0.00 C ATOM 28 CD1 LEU A 2 6.638 1.794 -11.166 1.00 0.00 C ATOM 29 CD2 LEU A 2 6.303 -0.511 -10.264 1.00 0.00 C ATOM 0 H LEU A 2 2.830 2.120 -11.936 1.00 0.00 H new ATOM 0 HA LEU A 2 3.415 -0.611 -10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.311 2.215 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.579 0.945 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 2 5.309 0.312 -11.990 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.499 1.447 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.163 2.622 -11.693 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.966 2.131 -10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.165 -0.860 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.630 -0.174 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.590 -1.327 -10.149 1.00 0.00 H new ATOM 41 N ALA A 3 1.364 -0.642 -9.462 1.00 0.00 N ATOM 42 CA ALA A 3 0.315 -0.709 -8.404 1.00 0.00 C ATOM 43 C ALA A 3 0.438 -2.038 -7.650 1.00 0.00 C ATOM 44 O ALA A 3 -0.506 -2.801 -7.552 1.00 0.00 O ATOM 45 CB ALA A 3 -1.068 -0.604 -9.052 1.00 0.00 C ATOM 0 H ALA A 3 1.435 -1.471 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 3 0.446 0.115 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.836 -0.653 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.149 0.343 -9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.205 -1.428 -9.753 1.00 0.00 H new ATOM 51 N CYS A 4 1.601 -2.315 -7.113 1.00 0.00 N ATOM 52 CA CYS A 4 1.806 -3.585 -6.360 1.00 0.00 C ATOM 53 C CYS A 4 3.232 -3.604 -5.807 1.00 0.00 C ATOM 54 O CYS A 4 4.172 -3.954 -6.495 1.00 0.00 O ATOM 55 CB CYS A 4 1.593 -4.782 -7.297 1.00 0.00 C ATOM 56 SG CYS A 4 1.772 -6.341 -6.384 1.00 0.00 S ATOM 0 H CYS A 4 2.420 -1.710 -7.166 1.00 0.00 H new ATOM 0 HA CYS A 4 1.092 -3.650 -5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.601 -4.728 -7.746 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.315 -4.746 -8.113 1.00 0.00 H new ATOM 61 N LEU A 5 3.391 -3.227 -4.567 1.00 0.00 N ATOM 62 CA LEU A 5 4.751 -3.214 -3.950 1.00 0.00 C ATOM 63 C LEU A 5 5.231 -4.650 -3.752 1.00 0.00 C ATOM 64 O LEU A 5 6.410 -4.939 -3.844 1.00 0.00 O ATOM 65 CB LEU A 5 4.696 -2.507 -2.593 1.00 0.00 C ATOM 66 CG LEU A 5 4.052 -1.130 -2.752 1.00 0.00 C ATOM 67 CD1 LEU A 5 3.891 -0.480 -1.378 1.00 0.00 C ATOM 68 CD2 LEU A 5 4.943 -0.246 -3.630 1.00 0.00 C ATOM 0 H LEU A 5 2.635 -2.926 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 5 5.440 -2.683 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.125 -3.106 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.702 -2.403 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 5 3.074 -1.241 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.432 0.502 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.257 -1.107 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.869 -0.371 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.483 0.736 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.921 -0.137 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.059 -0.707 -4.611 1.00 0.00 H new ATOM 80 N PHE A 6 4.324 -5.549 -3.476 1.00 0.00 N ATOM 81 CA PHE A 6 4.715 -6.973 -3.264 1.00 0.00 C ATOM 82 C PHE A 6 3.607 -7.896 -3.779 1.00 0.00 C ATOM 83 O PHE A 6 3.721 -8.483 -4.838 1.00 0.00 O ATOM 84 CB PHE A 6 4.940 -7.220 -1.770 1.00 0.00 C ATOM 85 CG PHE A 6 6.185 -6.493 -1.321 1.00 0.00 C ATOM 86 CD1 PHE A 6 7.437 -6.879 -1.816 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.087 -5.433 -0.412 1.00 0.00 C ATOM 88 CE1 PHE A 6 8.591 -6.205 -1.400 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.241 -4.758 0.004 1.00 0.00 C ATOM 90 CZ PHE A 6 8.493 -5.144 -0.491 1.00 0.00 C ATOM 0 H PHE A 6 3.326 -5.358 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 6 5.635 -7.182 -3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.078 -6.874 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.041 -8.288 -1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.512 -7.696 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.121 -5.136 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.557 -6.503 -1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.166 -3.941 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.384 -4.623 -0.172 1.00 0.00 H new ATOM 100 N GLY A 7 2.542 -8.028 -3.034 1.00 0.00 N ATOM 101 CA GLY A 7 1.421 -8.913 -3.466 1.00 0.00 C ATOM 102 C GLY A 7 1.734 -10.358 -3.076 1.00 0.00 C ATOM 103 O GLY A 7 1.320 -11.291 -3.738 1.00 0.00 O ATOM 0 H GLY A 7 2.400 -7.558 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.490 -8.593 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.279 -8.838 -4.544 1.00 0.00 H new ATOM 107 N ASN A 8 2.463 -10.548 -2.004 1.00 0.00 N ATOM 108 CA ASN A 8 2.807 -11.932 -1.562 1.00 0.00 C ATOM 109 C ASN A 8 1.738 -12.464 -0.595 1.00 0.00 C ATOM 110 O ASN A 8 1.939 -13.470 0.058 1.00 0.00 O ATOM 111 CB ASN A 8 4.164 -11.916 -0.855 1.00 0.00 C ATOM 112 CG ASN A 8 5.280 -11.782 -1.893 1.00 0.00 C ATOM 113 OD1 ASN A 8 5.229 -10.921 -2.749 1.00 0.00 O ATOM 114 ND2 ASN A 8 6.293 -12.603 -1.854 1.00 0.00 N ATOM 0 H ASN A 8 2.835 -9.802 -1.416 1.00 0.00 H new ATOM 0 HA ASN A 8 2.850 -12.582 -2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.208 -11.087 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.297 -12.832 -0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.042 -12.522 -2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.336 -13.326 -1.136 1.00 0.00 H new ATOM 121 N GLY A 9 0.605 -11.807 -0.502 1.00 0.00 N ATOM 122 CA GLY A 9 -0.468 -12.282 0.414 1.00 0.00 C ATOM 123 C GLY A 9 -0.186 -11.854 1.862 1.00 0.00 C ATOM 124 O GLY A 9 -0.980 -12.115 2.746 1.00 0.00 O ATOM 0 H GLY A 9 0.382 -10.960 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.429 -11.880 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.542 -13.368 0.360 1.00 0.00 H new ATOM 128 N ARG A 10 0.928 -11.202 2.122 1.00 0.00 N ATOM 129 CA ARG A 10 1.239 -10.769 3.518 1.00 0.00 C ATOM 130 C ARG A 10 1.532 -9.268 3.534 1.00 0.00 C ATOM 131 O ARG A 10 2.206 -8.748 2.664 1.00 0.00 O ATOM 132 CB ARG A 10 2.462 -11.532 4.031 1.00 0.00 C ATOM 133 CG ARG A 10 3.615 -11.344 3.047 1.00 0.00 C ATOM 134 CD ARG A 10 4.838 -12.142 3.514 1.00 0.00 C ATOM 135 NE ARG A 10 4.677 -13.582 3.135 1.00 0.00 N ATOM 136 CZ ARG A 10 4.120 -14.461 3.947 1.00 0.00 C ATOM 137 NH1 ARG A 10 3.648 -14.121 5.125 1.00 0.00 N ATOM 138 NH2 ARG A 10 4.024 -15.705 3.564 1.00 0.00 N ATOM 0 H ARG A 10 1.631 -10.954 1.426 1.00 0.00 H new ATOM 0 HA ARG A 10 0.384 -10.980 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.746 -11.167 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.227 -12.591 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.313 -11.674 2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.868 -10.287 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.743 -11.736 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.953 -12.051 4.594 1.00 0.00 H new ATOM 0 HE ARG A 10 5.008 -13.893 2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.706 -13.152 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.224 -14.826 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.377 -15.986 2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.596 -16.397 4.180 1.00 0.00 H new ATOM 152 N CYS A 11 1.026 -8.573 4.516 1.00 0.00 N ATOM 153 CA CYS A 11 1.265 -7.098 4.598 1.00 0.00 C ATOM 154 C CYS A 11 1.250 -6.623 6.048 1.00 0.00 C ATOM 155 O CYS A 11 0.826 -7.324 6.946 1.00 0.00 O ATOM 156 CB CYS A 11 0.164 -6.346 3.845 1.00 0.00 C ATOM 157 SG CYS A 11 -1.470 -6.937 4.377 1.00 0.00 S ATOM 0 H CYS A 11 0.456 -8.961 5.268 1.00 0.00 H new ATOM 0 HA CYS A 11 2.240 -6.897 4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.251 -5.276 4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.281 -6.493 2.771 1.00 0.00 H new ATOM 162 N SER A 12 1.683 -5.408 6.261 1.00 0.00 N ATOM 163 CA SER A 12 1.675 -4.825 7.634 1.00 0.00 C ATOM 164 C SER A 12 0.564 -3.773 7.713 1.00 0.00 C ATOM 165 O SER A 12 -0.003 -3.526 8.761 1.00 0.00 O ATOM 166 CB SER A 12 3.027 -4.173 7.926 1.00 0.00 C ATOM 167 OG SER A 12 4.059 -4.940 7.322 1.00 0.00 O ATOM 0 H SER A 12 2.045 -4.790 5.535 1.00 0.00 H new ATOM 0 HA SER A 12 1.497 -5.609 8.370 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.043 -3.154 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.188 -4.109 9.002 1.00 0.00 H new ATOM 0 HG SER A 12 4.927 -4.523 7.506 1.00 0.00 H new ATOM 173 N SER A 13 0.249 -3.167 6.600 1.00 0.00 N ATOM 174 CA SER A 13 -0.827 -2.137 6.559 1.00 0.00 C ATOM 175 C SER A 13 -1.521 -2.219 5.195 1.00 0.00 C ATOM 176 O SER A 13 -1.175 -3.041 4.368 1.00 0.00 O ATOM 177 CB SER A 13 -0.217 -0.748 6.745 1.00 0.00 C ATOM 178 OG SER A 13 0.642 -0.462 5.649 1.00 0.00 O ATOM 0 H SER A 13 0.700 -3.346 5.703 1.00 0.00 H new ATOM 0 HA SER A 13 -1.548 -2.314 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.005 0.002 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.341 -0.706 7.680 1.00 0.00 H new ATOM 0 HG SER A 13 1.034 0.429 5.764 1.00 0.00 H new ATOM 184 N ASN A 14 -2.496 -1.379 4.956 1.00 0.00 N ATOM 185 CA ASN A 14 -3.213 -1.415 3.645 1.00 0.00 C ATOM 186 C ASN A 14 -2.256 -1.028 2.514 1.00 0.00 C ATOM 187 O ASN A 14 -2.316 -1.570 1.425 1.00 0.00 O ATOM 188 CB ASN A 14 -4.385 -0.431 3.680 1.00 0.00 C ATOM 189 CG ASN A 14 -5.637 -1.145 4.194 1.00 0.00 C ATOM 190 OD1 ASN A 14 -5.576 -1.892 5.150 1.00 0.00 O ATOM 191 ND2 ASN A 14 -6.779 -0.946 3.593 1.00 0.00 N ATOM 0 H ASN A 14 -2.826 -0.670 5.611 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.585 -2.424 3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.145 0.414 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.566 -0.029 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.620 -1.418 3.926 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.830 -0.319 2.790 1.00 0.00 H new ATOM 198 N ARG A 15 -1.377 -0.092 2.764 1.00 0.00 N ATOM 199 CA ARG A 15 -0.416 0.347 1.705 1.00 0.00 C ATOM 200 C ARG A 15 0.590 -0.765 1.379 1.00 0.00 C ATOM 201 O ARG A 15 1.330 -0.663 0.417 1.00 0.00 O ATOM 202 CB ARG A 15 0.334 1.591 2.185 1.00 0.00 C ATOM 203 CG ARG A 15 -0.648 2.756 2.327 1.00 0.00 C ATOM 204 CD ARG A 15 -0.171 3.702 3.432 1.00 0.00 C ATOM 205 NE ARG A 15 0.542 4.865 2.818 1.00 0.00 N ATOM 206 CZ ARG A 15 0.751 5.978 3.494 1.00 0.00 C ATOM 207 NH1 ARG A 15 0.346 6.116 4.737 1.00 0.00 N ATOM 208 NH2 ARG A 15 1.376 6.967 2.915 1.00 0.00 N ATOM 0 H ARG A 15 -1.282 0.389 3.658 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.979 0.576 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.818 1.391 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.122 1.850 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.727 3.295 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.643 2.379 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.021 4.051 4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.493 3.174 4.116 1.00 0.00 H new ATOM 0 HE ARG A 15 0.874 4.796 1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.143 5.351 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.521 6.988 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.696 6.873 1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.544 7.833 3.426 1.00 0.00 H new ATOM 222 N ASP A 16 0.627 -1.822 2.154 1.00 0.00 N ATOM 223 CA ASP A 16 1.589 -2.927 1.865 1.00 0.00 C ATOM 224 C ASP A 16 0.953 -3.954 0.916 1.00 0.00 C ATOM 225 O ASP A 16 1.455 -5.054 0.771 1.00 0.00 O ATOM 226 CB ASP A 16 1.967 -3.616 3.174 1.00 0.00 C ATOM 227 CG ASP A 16 3.197 -2.935 3.775 1.00 0.00 C ATOM 228 OD1 ASP A 16 4.077 -2.566 3.013 1.00 0.00 O ATOM 229 OD2 ASP A 16 3.240 -2.793 4.986 1.00 0.00 O ATOM 0 H ASP A 16 0.034 -1.965 2.971 1.00 0.00 H new ATOM 0 HA ASP A 16 2.477 -2.511 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.134 -3.569 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.174 -4.671 2.995 1.00 0.00 H new ATOM 234 N CYS A 17 -0.144 -3.617 0.269 1.00 0.00 N ATOM 235 CA CYS A 17 -0.791 -4.594 -0.659 1.00 0.00 C ATOM 236 C CYS A 17 -0.724 -4.075 -2.101 1.00 0.00 C ATOM 237 O CYS A 17 -0.042 -3.108 -2.385 1.00 0.00 O ATOM 238 CB CYS A 17 -2.247 -4.798 -0.248 1.00 0.00 C ATOM 239 SG CYS A 17 -2.294 -5.557 1.391 1.00 0.00 S ATOM 0 H CYS A 17 -0.612 -2.714 0.346 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.262 -5.545 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.772 -3.843 -0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.757 -5.433 -0.972 1.00 0.00 H new ATOM 244 N CYS A 18 -1.415 -4.720 -3.014 1.00 0.00 N ATOM 245 CA CYS A 18 -1.374 -4.271 -4.442 1.00 0.00 C ATOM 246 C CYS A 18 -2.764 -3.801 -4.886 1.00 0.00 C ATOM 247 O CYS A 18 -3.697 -3.761 -4.107 1.00 0.00 O ATOM 248 CB CYS A 18 -0.924 -5.434 -5.332 1.00 0.00 C ATOM 249 SG CYS A 18 0.646 -6.101 -4.722 1.00 0.00 S ATOM 0 H CYS A 18 -2.002 -5.534 -2.832 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.670 -3.444 -4.533 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.684 -6.215 -5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.810 -5.093 -6.361 1.00 0.00 H new ATOM 254 N GLU A 19 -2.899 -3.439 -6.139 1.00 0.00 N ATOM 255 CA GLU A 19 -4.215 -2.959 -6.659 1.00 0.00 C ATOM 256 C GLU A 19 -5.265 -4.066 -6.536 1.00 0.00 C ATOM 257 O GLU A 19 -6.348 -3.849 -6.029 1.00 0.00 O ATOM 258 CB GLU A 19 -4.066 -2.563 -8.130 1.00 0.00 C ATOM 259 CG GLU A 19 -5.113 -1.506 -8.488 1.00 0.00 C ATOM 260 CD GLU A 19 -5.642 -1.763 -9.901 1.00 0.00 C ATOM 261 OE1 GLU A 19 -5.860 -2.917 -10.230 1.00 0.00 O ATOM 262 OE2 GLU A 19 -5.821 -0.801 -10.629 1.00 0.00 O ATOM 0 H GLU A 19 -2.147 -3.456 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.536 -2.097 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.065 -2.173 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.187 -3.439 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.933 -1.535 -7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.674 -0.510 -8.429 1.00 0.00 H new ATOM 269 N LEU A 20 -4.953 -5.254 -6.998 1.00 0.00 N ATOM 270 CA LEU A 20 -5.933 -6.386 -6.913 1.00 0.00 C ATOM 271 C LEU A 20 -6.389 -6.583 -5.460 1.00 0.00 C ATOM 272 O LEU A 20 -7.452 -7.115 -5.202 1.00 0.00 O ATOM 273 CB LEU A 20 -5.268 -7.670 -7.414 1.00 0.00 C ATOM 274 CG LEU A 20 -5.540 -7.836 -8.910 1.00 0.00 C ATOM 275 CD1 LEU A 20 -4.433 -7.147 -9.709 1.00 0.00 C ATOM 276 CD2 LEU A 20 -5.568 -9.326 -9.260 1.00 0.00 C ATOM 0 H LEU A 20 -4.060 -5.490 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.801 -6.153 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.194 -7.631 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.654 -8.530 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.501 -7.385 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.626 -7.265 -10.775 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.411 -6.086 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.472 -7.598 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.762 -9.446 -10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.606 -9.776 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.356 -9.819 -8.690 1.00 0.00 H new ATOM 288 N THR A 21 -5.592 -6.152 -4.516 1.00 0.00 N ATOM 289 CA THR A 21 -5.961 -6.299 -3.082 1.00 0.00 C ATOM 290 C THR A 21 -5.683 -4.972 -2.369 1.00 0.00 C ATOM 291 O THR A 21 -4.598 -4.768 -1.869 1.00 0.00 O ATOM 292 CB THR A 21 -5.107 -7.400 -2.449 1.00 0.00 C ATOM 293 OG1 THR A 21 -3.737 -7.016 -2.496 1.00 0.00 O ATOM 294 CG2 THR A 21 -5.302 -8.707 -3.218 1.00 0.00 C ATOM 0 H THR A 21 -4.693 -5.700 -4.683 1.00 0.00 H new ATOM 0 HA THR A 21 -7.015 -6.561 -2.992 1.00 0.00 H new ATOM 0 HB THR A 21 -5.409 -7.547 -1.412 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.673 -6.041 -2.565 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.693 -9.490 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.352 -8.997 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.000 -8.567 -4.256 1.00 0.00 H new ATOM 302 N PRO A 22 -6.658 -4.092 -2.343 1.00 0.00 N ATOM 303 CA PRO A 22 -6.523 -2.757 -1.692 1.00 0.00 C ATOM 304 C PRO A 22 -6.776 -2.841 -0.184 1.00 0.00 C ATOM 305 O PRO A 22 -6.861 -1.824 0.481 1.00 0.00 O ATOM 306 CB PRO A 22 -7.587 -1.916 -2.382 1.00 0.00 C ATOM 307 CG PRO A 22 -8.641 -2.871 -2.915 1.00 0.00 C ATOM 308 CD PRO A 22 -8.026 -4.272 -2.943 1.00 0.00 C ATOM 0 HA PRO A 22 -5.521 -2.340 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.029 -1.207 -1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.150 -1.334 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.528 -2.855 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.958 -2.572 -3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.623 -4.979 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.966 -4.659 -3.960 1.00 0.00 H new ATOM 316 N VAL A 23 -6.896 -4.031 0.373 1.00 0.00 N ATOM 317 CA VAL A 23 -7.137 -4.128 1.845 1.00 0.00 C ATOM 318 C VAL A 23 -6.074 -5.014 2.505 1.00 0.00 C ATOM 319 O VAL A 23 -5.607 -5.983 1.937 1.00 0.00 O ATOM 320 CB VAL A 23 -8.542 -4.686 2.100 1.00 0.00 C ATOM 321 CG1 VAL A 23 -8.677 -6.096 1.528 1.00 0.00 C ATOM 322 CG2 VAL A 23 -8.824 -4.712 3.606 1.00 0.00 C ATOM 0 H VAL A 23 -6.838 -4.921 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.067 -3.133 2.285 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.265 -4.039 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.682 -6.472 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.499 -6.071 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.947 -6.752 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.824 -5.109 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.089 -5.345 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.760 -3.700 4.006 1.00 0.00 H new ATOM 332 N CYS A 24 -5.695 -4.676 3.711 1.00 0.00 N ATOM 333 CA CYS A 24 -4.669 -5.472 4.443 1.00 0.00 C ATOM 334 C CYS A 24 -5.251 -5.877 5.800 1.00 0.00 C ATOM 335 O CYS A 24 -5.256 -5.101 6.738 1.00 0.00 O ATOM 336 CB CYS A 24 -3.410 -4.610 4.641 1.00 0.00 C ATOM 337 SG CYS A 24 -2.157 -5.497 5.614 1.00 0.00 S ATOM 0 H CYS A 24 -6.058 -3.873 4.224 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.400 -6.365 3.879 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.996 -4.338 3.670 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.677 -3.681 5.146 1.00 0.00 H new ATOM 342 N LYS A 25 -5.740 -7.083 5.904 1.00 0.00 N ATOM 343 CA LYS A 25 -6.325 -7.546 7.198 1.00 0.00 C ATOM 344 C LYS A 25 -5.675 -8.865 7.621 1.00 0.00 C ATOM 345 O LYS A 25 -5.326 -9.687 6.797 1.00 0.00 O ATOM 346 CB LYS A 25 -7.833 -7.749 7.036 1.00 0.00 C ATOM 347 CG LYS A 25 -8.100 -8.691 5.860 1.00 0.00 C ATOM 348 CD LYS A 25 -9.288 -9.597 6.191 1.00 0.00 C ATOM 349 CE LYS A 25 -9.753 -10.307 4.920 1.00 0.00 C ATOM 350 NZ LYS A 25 -10.647 -11.443 5.282 1.00 0.00 N ATOM 0 H LYS A 25 -5.760 -7.769 5.149 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.139 -6.793 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.255 -8.165 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.323 -6.790 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.309 -8.115 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.215 -9.294 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.002 -10.329 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.103 -9.008 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.281 -9.607 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.892 -10.672 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.963 -11.926 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.129 -12.115 5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.474 -11.083 5.799 1.00 0.00 H new ATOM 364 N ARG A 26 -5.510 -9.067 8.906 1.00 0.00 N ATOM 365 CA ARG A 26 -4.882 -10.327 9.407 1.00 0.00 C ATOM 366 C ARG A 26 -3.464 -10.459 8.845 1.00 0.00 C ATOM 367 O ARG A 26 -2.992 -11.550 8.579 1.00 0.00 O ATOM 368 CB ARG A 26 -5.724 -11.533 8.974 1.00 0.00 C ATOM 369 CG ARG A 26 -6.777 -11.841 10.049 1.00 0.00 C ATOM 370 CD ARG A 26 -8.132 -12.100 9.386 1.00 0.00 C ATOM 371 NE ARG A 26 -9.228 -11.707 10.327 1.00 0.00 N ATOM 372 CZ ARG A 26 -10.456 -11.486 9.900 1.00 0.00 C ATOM 373 NH1 ARG A 26 -10.777 -11.605 8.633 1.00 0.00 N ATOM 374 NH2 ARG A 26 -11.376 -11.144 10.760 1.00 0.00 N ATOM 0 H ARG A 26 -5.786 -8.407 9.633 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.834 -10.294 10.495 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.212 -11.325 8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.082 -12.401 8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.473 -12.712 10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.856 -11.005 10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.211 -11.531 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.225 -13.153 9.122 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.020 -11.608 11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.069 -11.875 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.735 -11.428 8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.141 -11.051 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.330 -10.970 10.444 1.00 0.00 H new ATOM 388 N GLY A 27 -2.784 -9.356 8.666 1.00 0.00 N ATOM 389 CA GLY A 27 -1.393 -9.400 8.126 1.00 0.00 C ATOM 390 C GLY A 27 -1.396 -10.023 6.728 1.00 0.00 C ATOM 391 O GLY A 27 -0.427 -10.627 6.308 1.00 0.00 O ATOM 0 H GLY A 27 -3.135 -8.421 8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.978 -8.393 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.754 -9.981 8.791 1.00 0.00 H new ATOM 395 N SER A 28 -2.477 -9.877 6.004 1.00 0.00 N ATOM 396 CA SER A 28 -2.549 -10.457 4.632 1.00 0.00 C ATOM 397 C SER A 28 -3.269 -9.480 3.702 1.00 0.00 C ATOM 398 O SER A 28 -3.900 -8.544 4.149 1.00 0.00 O ATOM 399 CB SER A 28 -3.310 -11.782 4.673 1.00 0.00 C ATOM 400 OG SER A 28 -2.399 -12.840 4.940 1.00 0.00 O ATOM 0 H SER A 28 -3.314 -9.379 6.307 1.00 0.00 H new ATOM 0 HA SER A 28 -1.540 -10.634 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.081 -11.748 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.816 -11.953 3.723 1.00 0.00 H new ATOM 0 HG SER A 28 -1.697 -12.848 4.256 1.00 0.00 H new ATOM 406 N CYS A 29 -3.174 -9.685 2.412 1.00 0.00 N ATOM 407 CA CYS A 29 -3.850 -8.758 1.454 1.00 0.00 C ATOM 408 C CYS A 29 -5.013 -9.460 0.764 1.00 0.00 C ATOM 409 O CYS A 29 -4.920 -10.621 0.406 1.00 0.00 O ATOM 410 CB CYS A 29 -2.867 -8.328 0.363 1.00 0.00 C ATOM 411 SG CYS A 29 -1.509 -7.390 1.082 1.00 0.00 S ATOM 0 H CYS A 29 -2.659 -10.453 1.982 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.207 -7.897 2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.479 -9.206 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.382 -7.722 -0.382 1.00 0.00 H new ATOM 416 N VAL A 30 -6.090 -8.755 0.532 1.00 0.00 N ATOM 417 CA VAL A 30 -7.237 -9.367 -0.181 1.00 0.00 C ATOM 418 C VAL A 30 -7.977 -8.271 -0.951 1.00 0.00 C ATOM 419 O VAL A 30 -7.681 -7.086 -0.822 1.00 0.00 O ATOM 420 CB VAL A 30 -8.176 -10.069 0.809 1.00 0.00 C ATOM 421 CG1 VAL A 30 -7.391 -11.125 1.590 1.00 0.00 C ATOM 422 CG2 VAL A 30 -8.766 -9.056 1.787 1.00 0.00 C ATOM 0 H VAL A 30 -6.219 -7.782 0.808 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.876 -10.121 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.986 -10.542 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.056 -11.625 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.978 -11.858 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.579 -10.645 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.430 -9.567 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.961 -8.574 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.329 -8.303 1.235 1.00 0.00 H new ATOM 432 N SER A 31 -8.923 -8.665 -1.755 1.00 0.00 N ATOM 433 CA SER A 31 -9.693 -7.678 -2.558 1.00 0.00 C ATOM 434 C SER A 31 -10.983 -7.312 -1.826 1.00 0.00 C ATOM 435 O SER A 31 -11.889 -8.115 -1.707 1.00 0.00 O ATOM 436 CB SER A 31 -10.034 -8.282 -3.921 1.00 0.00 C ATOM 437 OG SER A 31 -10.727 -7.316 -4.702 1.00 0.00 O ATOM 0 H SER A 31 -9.198 -9.638 -1.891 1.00 0.00 H new ATOM 0 HA SER A 31 -9.091 -6.780 -2.698 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.123 -8.594 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.649 -9.173 -3.793 1.00 0.00 H new ATOM 0 HG SER A 31 -10.946 -7.699 -5.577 1.00 0.00 H new ATOM 443 N SER A 32 -11.068 -6.103 -1.336 1.00 0.00 N ATOM 444 CA SER A 32 -12.298 -5.672 -0.609 1.00 0.00 C ATOM 445 C SER A 32 -12.940 -4.491 -1.343 1.00 0.00 C ATOM 446 O SER A 32 -14.107 -4.527 -1.687 1.00 0.00 O ATOM 447 CB SER A 32 -11.932 -5.257 0.819 1.00 0.00 C ATOM 448 OG SER A 32 -11.331 -3.968 0.801 1.00 0.00 O ATOM 0 H SER A 32 -10.338 -5.395 -1.408 1.00 0.00 H new ATOM 0 HA SER A 32 -13.006 -6.500 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.824 -5.245 1.445 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.246 -5.983 1.255 1.00 0.00 H new ATOM 0 HG SER A 32 -11.961 -3.308 1.160 1.00 0.00 H new ATOM 454 N GLY A 33 -12.187 -3.448 -1.583 1.00 0.00 N ATOM 455 CA GLY A 33 -12.746 -2.260 -2.292 1.00 0.00 C ATOM 456 C GLY A 33 -12.937 -1.109 -1.291 1.00 0.00 C ATOM 457 O GLY A 33 -12.107 -0.224 -1.220 1.00 0.00 O ATOM 0 H GLY A 33 -11.205 -3.369 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.074 -1.952 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.699 -2.515 -2.756 1.00 0.00 H new ATOM 461 N PRO A 34 -14.021 -1.147 -0.541 1.00 0.00 N ATOM 462 CA PRO A 34 -14.353 -0.106 0.483 1.00 0.00 C ATOM 463 C PRO A 34 -13.690 -0.444 1.821 1.00 0.00 C ATOM 464 O PRO A 34 -12.805 -1.276 1.892 1.00 0.00 O ATOM 465 CB PRO A 34 -15.869 -0.192 0.589 1.00 0.00 C ATOM 466 CG PRO A 34 -16.275 -1.588 0.146 1.00 0.00 C ATOM 467 CD PRO A 34 -15.084 -2.215 -0.585 1.00 0.00 C ATOM 0 HA PRO A 34 -14.003 0.891 0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.194 -0.004 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.342 0.563 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -16.557 -2.195 1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.144 -1.542 -0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.751 -3.129 -0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -15.341 -2.480 -1.611 1.00 0.00 H new ATOM 475 N GLY A 35 -14.114 0.195 2.882 1.00 0.00 N ATOM 476 CA GLY A 35 -13.515 -0.083 4.221 1.00 0.00 C ATOM 477 C GLY A 35 -14.628 -0.227 5.260 1.00 0.00 C ATOM 478 O GLY A 35 -14.915 0.693 6.005 1.00 0.00 O ATOM 0 H GLY A 35 -14.852 0.899 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.920 -0.995 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.841 0.726 4.504 1.00 0.00 H new ATOM 482 N LEU A 36 -15.257 -1.373 5.313 1.00 0.00 N ATOM 483 CA LEU A 36 -16.355 -1.587 6.301 1.00 0.00 C ATOM 484 C LEU A 36 -16.389 -3.059 6.718 1.00 0.00 C ATOM 485 O LEU A 36 -17.105 -3.857 6.144 1.00 0.00 O ATOM 486 CB LEU A 36 -17.693 -1.206 5.663 1.00 0.00 C ATOM 487 CG LEU A 36 -18.752 -1.044 6.756 1.00 0.00 C ATOM 488 CD1 LEU A 36 -19.778 0.003 6.319 1.00 0.00 C ATOM 489 CD2 LEU A 36 -19.456 -2.382 6.983 1.00 0.00 C ATOM 0 H LEU A 36 -15.056 -2.172 4.712 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.180 -0.966 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.589 -0.277 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.002 -1.974 4.954 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.275 -0.722 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -20.533 0.119 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.277 0.957 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -20.256 -0.320 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -20.211 -2.269 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -19.934 -2.703 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -18.726 -3.130 7.292 1.00 0.00 H new ATOM 501 N VAL A 37 -15.619 -3.421 7.713 1.00 0.00 N ATOM 502 CA VAL A 37 -15.602 -4.843 8.176 1.00 0.00 C ATOM 503 C VAL A 37 -16.178 -4.917 9.588 1.00 0.00 C ATOM 504 O VAL A 37 -16.337 -3.911 10.254 1.00 0.00 O ATOM 505 CB VAL A 37 -14.164 -5.381 8.200 1.00 0.00 C ATOM 506 CG1 VAL A 37 -14.193 -6.910 8.250 1.00 0.00 C ATOM 507 CG2 VAL A 37 -13.407 -4.937 6.940 1.00 0.00 C ATOM 0 H VAL A 37 -15.000 -2.793 8.226 1.00 0.00 H new ATOM 0 HA VAL A 37 -16.198 -5.444 7.489 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.657 -4.987 9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.173 -7.293 8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.718 -7.235 9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.710 -7.293 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.389 -5.326 6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.915 -5.321 6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.378 -3.848 6.898 1.00 0.00 H new ATOM 517 N GLY A 38 -16.485 -6.101 10.052 1.00 0.00 N ATOM 518 CA GLY A 38 -17.043 -6.248 11.426 1.00 0.00 C ATOM 519 C GLY A 38 -18.560 -6.054 11.387 1.00 0.00 C ATOM 520 O GLY A 38 -19.059 -4.969 11.619 1.00 0.00 O ATOM 0 H GLY A 38 -16.372 -6.973 9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.802 -7.234 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.590 -5.516 12.094 1.00 0.00 H new ATOM 524 N GLY A 39 -19.293 -7.098 11.096 1.00 0.00 N ATOM 525 CA GLY A 39 -20.780 -6.983 11.041 1.00 0.00 C ATOM 526 C GLY A 39 -21.353 -8.140 10.221 1.00 0.00 C ATOM 527 O GLY A 39 -20.644 -8.804 9.489 1.00 0.00 O ATOM 0 H GLY A 39 -18.924 -8.027 10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -21.194 -6.998 12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -21.065 -6.031 10.594 1.00 0.00 H new ATOM 531 N ILE A 40 -22.634 -8.384 10.340 1.00 0.00 N ATOM 532 CA ILE A 40 -23.266 -9.496 9.571 1.00 0.00 C ATOM 533 C ILE A 40 -24.164 -8.910 8.476 1.00 0.00 C ATOM 534 O ILE A 40 -25.314 -9.285 8.332 1.00 0.00 O ATOM 535 CB ILE A 40 -24.102 -10.362 10.520 1.00 0.00 C ATOM 536 CG1 ILE A 40 -23.241 -10.798 11.709 1.00 0.00 C ATOM 537 CG2 ILE A 40 -24.602 -11.602 9.774 1.00 0.00 C ATOM 538 CD1 ILE A 40 -24.139 -11.366 12.810 1.00 0.00 C ATOM 0 H ILE A 40 -23.270 -7.858 10.939 1.00 0.00 H new ATOM 0 HA ILE A 40 -22.492 -10.111 9.112 1.00 0.00 H new ATOM 0 HB ILE A 40 -24.954 -9.785 10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -22.518 -11.549 11.392 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -22.673 -9.950 12.090 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -25.196 -12.218 10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -25.216 -11.294 8.928 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -23.750 -12.178 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -23.526 -11.676 13.656 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -24.845 -10.601 13.135 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -24.687 -12.226 12.425 1.00 0.00 H new ATOM 550 N LEU A 41 -23.644 -7.990 7.705 1.00 0.00 N ATOM 551 CA LEU A 41 -24.456 -7.371 6.616 1.00 0.00 C ATOM 552 C LEU A 41 -24.180 -8.099 5.298 1.00 0.00 C ATOM 553 O LEU A 41 -23.229 -8.849 5.182 1.00 0.00 O ATOM 554 CB LEU A 41 -24.076 -5.896 6.472 1.00 0.00 C ATOM 555 CG LEU A 41 -24.485 -5.138 7.735 1.00 0.00 C ATOM 556 CD1 LEU A 41 -23.645 -3.865 7.864 1.00 0.00 C ATOM 557 CD2 LEU A 41 -25.966 -4.763 7.645 1.00 0.00 C ATOM 0 H LEU A 41 -22.689 -7.640 7.783 1.00 0.00 H new ATOM 0 HA LEU A 41 -25.515 -7.451 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -23.002 -5.800 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -24.570 -5.466 5.601 1.00 0.00 H new ATOM 0 HG LEU A 41 -24.320 -5.771 8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -23.938 -3.326 8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -22.590 -4.130 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -23.809 -3.231 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -26.260 -4.222 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -26.129 -4.131 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -26.566 -5.669 7.554 1.00 0.00 H new ATOM 569 N GLY A 42 -25.008 -7.882 4.307 1.00 0.00 N ATOM 570 CA GLY A 42 -24.803 -8.558 2.992 1.00 0.00 C ATOM 571 C GLY A 42 -26.087 -8.467 2.165 1.00 0.00 C ATOM 572 O GLY A 42 -26.526 -9.438 1.578 1.00 0.00 O ATOM 0 H GLY A 42 -25.818 -7.264 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -23.978 -8.090 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -24.531 -9.602 3.146 1.00 0.00 H new ATOM 576 N GLY A 43 -26.690 -7.306 2.117 1.00 0.00 N ATOM 577 CA GLY A 43 -27.948 -7.140 1.331 1.00 0.00 C ATOM 578 C GLY A 43 -28.494 -5.727 1.535 1.00 0.00 C ATOM 579 O GLY A 43 -27.855 -4.750 1.192 1.00 0.00 O ATOM 0 H GLY A 43 -26.363 -6.464 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.754 -7.317 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.687 -7.876 1.648 1.00 0.00 H new ATOM 583 N ILE A 44 -29.672 -5.614 2.092 1.00 0.00 N ATOM 584 CA ILE A 44 -30.273 -4.267 2.325 1.00 0.00 C ATOM 585 C ILE A 44 -29.393 -3.475 3.295 1.00 0.00 C ATOM 586 O ILE A 44 -28.761 -4.035 4.171 1.00 0.00 O ATOM 587 CB ILE A 44 -31.672 -4.428 2.923 1.00 0.00 C ATOM 588 CG1 ILE A 44 -31.596 -5.311 4.170 1.00 0.00 C ATOM 589 CG2 ILE A 44 -32.595 -5.083 1.892 1.00 0.00 C ATOM 590 CD1 ILE A 44 -32.855 -5.111 5.015 1.00 0.00 C ATOM 0 H ILE A 44 -30.246 -6.400 2.397 1.00 0.00 H new ATOM 0 HA ILE A 44 -30.342 -3.733 1.377 1.00 0.00 H new ATOM 0 HB ILE A 44 -32.065 -3.448 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -31.501 -6.358 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -30.710 -5.059 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -33.592 -5.198 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -32.650 -4.455 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -32.201 -6.062 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -32.801 -5.740 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -32.930 -4.066 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -33.733 -5.384 4.430 1.00 0.00 H new ATOM 602 N LEU A 45 -29.350 -2.176 3.143 1.00 0.00 N ATOM 603 CA LEU A 45 -28.514 -1.337 4.051 1.00 0.00 C ATOM 604 C LEU A 45 -29.380 -0.805 5.195 1.00 0.00 C ATOM 605 O LEU A 45 -29.174 -1.236 6.318 1.00 0.00 O ATOM 606 CB LEU A 45 -27.929 -0.162 3.265 1.00 0.00 C ATOM 607 CG LEU A 45 -27.170 -0.689 2.046 1.00 0.00 C ATOM 608 CD1 LEU A 45 -26.953 0.450 1.047 1.00 0.00 C ATOM 609 CD2 LEU A 45 -25.815 -1.241 2.491 1.00 0.00 C ATOM 610 OXT LEU A 45 -30.234 0.024 4.929 1.00 0.00 O ATOM 0 H LEU A 45 -29.860 -1.659 2.426 1.00 0.00 H new ATOM 0 HA LEU A 45 -27.703 -1.940 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -28.727 0.510 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.259 0.417 3.901 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.749 -1.482 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.412 0.074 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -27.918 0.845 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.374 1.243 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.273 -1.617 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.237 -0.448 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.969 -2.052 3.203 1.00 0.00 H new TER 622 LEU A 45