USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=8 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+ -107:sc= 0.103 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.149 X(o=-0.15,f=0) 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= -0.122 K(o=-0.12,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 27:sc= -0.0926 USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= -0.0237 (180deg=-0.736) USER MOD Single : A 28 SER OG : rot -57:sc= 1.07 USER MOD Single : A 31 SER OG : rot 76:sc= 0.612 USER MOD Single : A 32 SER OG : rot 180:sc= -0.344 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.737 0.942 -15.232 1.00 0.00 N ATOM 2 CA LEU A 1 2.531 1.359 -14.041 1.00 0.00 C ATOM 3 C LEU A 1 2.632 0.190 -13.060 1.00 0.00 C ATOM 4 O LEU A 1 2.096 -0.877 -13.298 1.00 0.00 O ATOM 5 CB LEU A 1 1.841 2.542 -13.357 1.00 0.00 C ATOM 6 CG LEU A 1 2.407 3.852 -13.907 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.342 4.946 -13.819 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.628 4.264 -13.082 1.00 0.00 C ATOM 0 H1 LEU A 1 2.372 0.818 -16.046 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.254 0.043 -15.030 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.031 1.673 -15.452 1.00 0.00 H new ATOM 0 HA LEU A 1 3.531 1.655 -14.357 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.766 2.498 -13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.994 2.492 -12.279 1.00 0.00 H new ATOM 0 HG LEU A 1 2.699 3.713 -14.948 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.746 5.879 -14.211 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.471 4.653 -14.405 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.049 5.086 -12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.033 5.198 -13.473 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.334 4.403 -12.042 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.388 3.485 -13.143 1.00 0.00 H new ATOM 22 N LEU A 2 3.316 0.385 -11.962 1.00 0.00 N ATOM 23 CA LEU A 2 3.460 -0.711 -10.959 1.00 0.00 C ATOM 24 C LEU A 2 2.292 -0.655 -9.972 1.00 0.00 C ATOM 25 O LEU A 2 2.289 0.135 -9.046 1.00 0.00 O ATOM 26 CB LEU A 2 4.780 -0.538 -10.202 1.00 0.00 C ATOM 27 CG LEU A 2 5.378 -1.913 -9.896 1.00 0.00 C ATOM 28 CD1 LEU A 2 6.905 -1.830 -9.951 1.00 0.00 C ATOM 29 CD2 LEU A 2 4.943 -2.358 -8.498 1.00 0.00 C ATOM 0 H LEU A 2 3.782 1.259 -11.717 1.00 0.00 H new ATOM 0 HA LEU A 2 3.458 -1.675 -11.469 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.479 0.050 -10.798 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.611 0.011 -9.276 1.00 0.00 H new ATOM 0 HG LEU A 2 5.026 -2.634 -10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.331 -2.809 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.217 -1.512 -10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.257 -1.109 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.368 -3.337 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.295 -1.636 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.855 -2.418 -8.457 1.00 0.00 H new ATOM 41 N ALA A 3 1.303 -1.490 -10.164 1.00 0.00 N ATOM 42 CA ALA A 3 0.129 -1.496 -9.243 1.00 0.00 C ATOM 43 C ALA A 3 0.263 -2.662 -8.257 1.00 0.00 C ATOM 44 O ALA A 3 -0.676 -3.399 -8.018 1.00 0.00 O ATOM 45 CB ALA A 3 -1.156 -1.654 -10.061 1.00 0.00 C ATOM 0 H ALA A 3 1.259 -2.170 -10.923 1.00 0.00 H new ATOM 0 HA ALA A 3 0.091 -0.558 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.016 -1.659 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.246 -0.823 -10.761 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.122 -2.593 -10.614 1.00 0.00 H new ATOM 51 N CYS A 4 1.427 -2.828 -7.680 1.00 0.00 N ATOM 52 CA CYS A 4 1.642 -3.938 -6.708 1.00 0.00 C ATOM 53 C CYS A 4 3.070 -3.842 -6.163 1.00 0.00 C ATOM 54 O CYS A 4 4.014 -4.293 -6.784 1.00 0.00 O ATOM 55 CB CYS A 4 1.436 -5.286 -7.416 1.00 0.00 C ATOM 56 SG CYS A 4 1.654 -6.660 -6.250 1.00 0.00 S ATOM 0 H CYS A 4 2.242 -2.237 -7.843 1.00 0.00 H new ATOM 0 HA CYS A 4 0.931 -3.862 -5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.437 -5.326 -7.851 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.145 -5.383 -8.238 1.00 0.00 H new ATOM 61 N LEU A 5 3.225 -3.249 -5.011 1.00 0.00 N ATOM 62 CA LEU A 5 4.585 -3.101 -4.410 1.00 0.00 C ATOM 63 C LEU A 5 5.083 -4.462 -3.925 1.00 0.00 C ATOM 64 O LEU A 5 6.270 -4.733 -3.931 1.00 0.00 O ATOM 65 CB LEU A 5 4.525 -2.134 -3.224 1.00 0.00 C ATOM 66 CG LEU A 5 3.840 -0.833 -3.645 1.00 0.00 C ATOM 67 CD1 LEU A 5 3.692 0.082 -2.428 1.00 0.00 C ATOM 68 CD2 LEU A 5 4.684 -0.129 -4.711 1.00 0.00 C ATOM 0 H LEU A 5 2.464 -2.858 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 5 5.267 -2.709 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.980 -2.591 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.532 -1.924 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 5 2.855 -1.059 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.204 1.009 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.089 -0.417 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.677 0.306 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.194 0.798 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.670 0.096 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.790 -0.779 -5.579 1.00 0.00 H new ATOM 80 N PHE A 6 4.187 -5.313 -3.499 1.00 0.00 N ATOM 81 CA PHE A 6 4.608 -6.658 -3.004 1.00 0.00 C ATOM 82 C PHE A 6 3.731 -7.746 -3.632 1.00 0.00 C ATOM 83 O PHE A 6 4.128 -8.404 -4.575 1.00 0.00 O ATOM 84 CB PHE A 6 4.486 -6.703 -1.476 1.00 0.00 C ATOM 85 CG PHE A 6 5.487 -5.754 -0.863 1.00 0.00 C ATOM 86 CD1 PHE A 6 6.838 -6.115 -0.786 1.00 0.00 C ATOM 87 CD2 PHE A 6 5.065 -4.513 -0.373 1.00 0.00 C ATOM 88 CE1 PHE A 6 7.766 -5.233 -0.218 1.00 0.00 C ATOM 89 CE2 PHE A 6 5.993 -3.632 0.195 1.00 0.00 C ATOM 90 CZ PHE A 6 7.344 -3.992 0.272 1.00 0.00 C ATOM 0 H PHE A 6 3.183 -5.136 -3.472 1.00 0.00 H new ATOM 0 HA PHE A 6 5.645 -6.837 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.476 -6.428 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.662 -7.717 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.164 -7.073 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.023 -4.235 -0.433 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.808 -5.511 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.667 -2.675 0.574 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.060 -3.312 0.709 1.00 0.00 H new ATOM 100 N GLY A 7 2.545 -7.940 -3.115 1.00 0.00 N ATOM 101 CA GLY A 7 1.639 -8.985 -3.675 1.00 0.00 C ATOM 102 C GLY A 7 2.060 -10.363 -3.160 1.00 0.00 C ATOM 103 O GLY A 7 1.840 -11.369 -3.809 1.00 0.00 O ATOM 0 H GLY A 7 2.165 -7.417 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.608 -8.778 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.676 -8.966 -4.764 1.00 0.00 H new ATOM 107 N ASN A 8 2.661 -10.418 -1.997 1.00 0.00 N ATOM 108 CA ASN A 8 3.096 -11.731 -1.436 1.00 0.00 C ATOM 109 C ASN A 8 2.009 -12.306 -0.514 1.00 0.00 C ATOM 110 O ASN A 8 2.220 -13.308 0.146 1.00 0.00 O ATOM 111 CB ASN A 8 4.389 -11.542 -0.641 1.00 0.00 C ATOM 112 CG ASN A 8 5.262 -12.791 -0.779 1.00 0.00 C ATOM 113 OD1 ASN A 8 5.857 -13.018 -1.814 1.00 0.00 O ATOM 114 ND2 ASN A 8 5.365 -13.615 0.226 1.00 0.00 N ATOM 0 H ASN A 8 2.869 -9.608 -1.413 1.00 0.00 H new ATOM 0 HA ASN A 8 3.265 -12.426 -2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.928 -10.667 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.159 -11.360 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.945 -14.450 0.143 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.866 -13.425 1.095 1.00 0.00 H new ATOM 121 N GLY A 9 0.849 -11.693 -0.467 1.00 0.00 N ATOM 122 CA GLY A 9 -0.246 -12.212 0.401 1.00 0.00 C ATOM 123 C GLY A 9 -0.035 -11.802 1.867 1.00 0.00 C ATOM 124 O GLY A 9 -0.862 -12.093 2.712 1.00 0.00 O ATOM 0 H GLY A 9 0.617 -10.853 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.205 -11.831 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.288 -13.299 0.327 1.00 0.00 H new ATOM 128 N ARG A 10 1.050 -11.129 2.185 1.00 0.00 N ATOM 129 CA ARG A 10 1.288 -10.712 3.600 1.00 0.00 C ATOM 130 C ARG A 10 1.562 -9.211 3.649 1.00 0.00 C ATOM 131 O ARG A 10 2.254 -8.670 2.807 1.00 0.00 O ATOM 132 CB ARG A 10 2.495 -11.464 4.166 1.00 0.00 C ATOM 133 CG ARG A 10 3.684 -11.283 3.228 1.00 0.00 C ATOM 134 CD ARG A 10 4.859 -12.147 3.698 1.00 0.00 C ATOM 135 NE ARG A 10 5.764 -11.334 4.571 1.00 0.00 N ATOM 136 CZ ARG A 10 5.578 -11.243 5.875 1.00 0.00 C ATOM 137 NH1 ARG A 10 4.586 -11.854 6.481 1.00 0.00 N ATOM 138 NH2 ARG A 10 6.404 -10.522 6.583 1.00 0.00 N ATOM 0 H ARG A 10 1.777 -10.853 1.524 1.00 0.00 H new ATOM 0 HA ARG A 10 0.405 -10.944 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.740 -11.088 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.260 -12.523 4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.402 -11.560 2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.981 -10.234 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.490 -13.013 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.411 -12.526 2.838 1.00 0.00 H new ATOM 0 HE ARG A 10 6.546 -10.836 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.930 -12.420 5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.471 -11.763 7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.179 -10.039 6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.275 -10.441 7.592 1.00 0.00 H new ATOM 152 N CYS A 11 1.016 -8.537 4.624 1.00 0.00 N ATOM 153 CA CYS A 11 1.230 -7.059 4.733 1.00 0.00 C ATOM 154 C CYS A 11 1.181 -6.603 6.188 1.00 0.00 C ATOM 155 O CYS A 11 0.726 -7.311 7.065 1.00 0.00 O ATOM 156 CB CYS A 11 0.134 -6.313 3.968 1.00 0.00 C ATOM 157 SG CYS A 11 -1.502 -6.943 4.448 1.00 0.00 S ATOM 0 H CYS A 11 0.429 -8.943 5.353 1.00 0.00 H new ATOM 0 HA CYS A 11 2.211 -6.838 4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.197 -5.245 4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.280 -6.437 2.895 1.00 0.00 H new ATOM 162 N SER A 12 1.621 -5.397 6.428 1.00 0.00 N ATOM 163 CA SER A 12 1.585 -4.830 7.807 1.00 0.00 C ATOM 164 C SER A 12 0.477 -3.773 7.871 1.00 0.00 C ATOM 165 O SER A 12 -0.113 -3.532 8.907 1.00 0.00 O ATOM 166 CB SER A 12 2.932 -4.187 8.137 1.00 0.00 C ATOM 167 OG SER A 12 3.170 -4.287 9.536 1.00 0.00 O ATOM 0 H SER A 12 2.008 -4.774 5.719 1.00 0.00 H new ATOM 0 HA SER A 12 1.387 -5.621 8.530 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.730 -4.683 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.934 -3.141 7.830 1.00 0.00 H new ATOM 0 HG SER A 12 4.034 -3.877 9.751 1.00 0.00 H new ATOM 173 N SER A 13 0.189 -3.155 6.757 1.00 0.00 N ATOM 174 CA SER A 13 -0.880 -2.121 6.700 1.00 0.00 C ATOM 175 C SER A 13 -1.562 -2.210 5.331 1.00 0.00 C ATOM 176 O SER A 13 -1.228 -3.057 4.525 1.00 0.00 O ATOM 177 CB SER A 13 -0.264 -0.734 6.880 1.00 0.00 C ATOM 178 OG SER A 13 1.030 -0.715 6.291 1.00 0.00 O ATOM 0 H SER A 13 0.660 -3.328 5.869 1.00 0.00 H new ATOM 0 HA SER A 13 -1.608 -2.288 7.494 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.898 0.021 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.198 -0.488 7.940 1.00 0.00 H new ATOM 0 HG SER A 13 1.427 0.174 6.403 1.00 0.00 H new ATOM 184 N ASN A 14 -2.511 -1.351 5.064 1.00 0.00 N ATOM 185 CA ASN A 14 -3.213 -1.393 3.746 1.00 0.00 C ATOM 186 C ASN A 14 -2.241 -1.003 2.626 1.00 0.00 C ATOM 187 O ASN A 14 -2.289 -1.542 1.535 1.00 0.00 O ATOM 188 CB ASN A 14 -4.389 -0.416 3.762 1.00 0.00 C ATOM 189 CG ASN A 14 -5.644 -1.136 4.260 1.00 0.00 C ATOM 190 OD1 ASN A 14 -5.586 -1.900 5.203 1.00 0.00 O ATOM 191 ND2 ASN A 14 -6.784 -0.926 3.660 1.00 0.00 N ATOM 0 H ASN A 14 -2.831 -0.622 5.702 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.580 -2.404 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.162 0.432 4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.558 -0.018 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.626 -1.403 3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.833 -0.285 2.868 1.00 0.00 H new ATOM 198 N ARG A 15 -1.362 -0.070 2.890 1.00 0.00 N ATOM 199 CA ARG A 15 -0.387 0.368 1.845 1.00 0.00 C ATOM 200 C ARG A 15 0.615 -0.749 1.526 1.00 0.00 C ATOM 201 O ARG A 15 1.362 -0.654 0.570 1.00 0.00 O ATOM 202 CB ARG A 15 0.369 1.602 2.340 1.00 0.00 C ATOM 203 CG ARG A 15 0.647 2.541 1.165 1.00 0.00 C ATOM 204 CD ARG A 15 0.908 3.954 1.691 1.00 0.00 C ATOM 205 NE ARG A 15 1.661 4.737 0.664 1.00 0.00 N ATOM 206 CZ ARG A 15 1.076 5.168 -0.438 1.00 0.00 C ATOM 207 NH1 ARG A 15 -0.192 4.931 -0.682 1.00 0.00 N ATOM 208 NH2 ARG A 15 1.776 5.848 -1.306 1.00 0.00 N ATOM 0 H ARG A 15 -1.277 0.409 3.787 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.939 0.607 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.217 2.119 3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.306 1.303 2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.509 2.187 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.202 2.547 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.036 4.448 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.478 3.909 2.619 1.00 0.00 H new ATOM 0 HE ARG A 15 2.648 4.943 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.750 4.402 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.619 5.276 -1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.762 6.040 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.337 6.187 -2.162 1.00 0.00 H new ATOM 222 N ASP A 16 0.641 -1.804 2.306 1.00 0.00 N ATOM 223 CA ASP A 16 1.597 -2.916 2.031 1.00 0.00 C ATOM 224 C ASP A 16 0.969 -3.935 1.067 1.00 0.00 C ATOM 225 O ASP A 16 1.465 -5.038 0.928 1.00 0.00 O ATOM 226 CB ASP A 16 1.947 -3.610 3.345 1.00 0.00 C ATOM 227 CG ASP A 16 3.172 -2.941 3.967 1.00 0.00 C ATOM 228 OD1 ASP A 16 4.180 -2.846 3.287 1.00 0.00 O ATOM 229 OD2 ASP A 16 3.083 -2.535 5.114 1.00 0.00 O ATOM 0 H ASP A 16 0.041 -1.940 3.120 1.00 0.00 H new ATOM 0 HA ASP A 16 2.497 -2.507 1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.103 -3.557 4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.148 -4.667 3.168 1.00 0.00 H new ATOM 234 N CYS A 17 -0.114 -3.588 0.402 1.00 0.00 N ATOM 235 CA CYS A 17 -0.752 -4.559 -0.541 1.00 0.00 C ATOM 236 C CYS A 17 -0.677 -4.029 -1.978 1.00 0.00 C ATOM 237 O CYS A 17 0.013 -3.066 -2.254 1.00 0.00 O ATOM 238 CB CYS A 17 -2.210 -4.771 -0.138 1.00 0.00 C ATOM 239 SG CYS A 17 -2.264 -5.569 1.480 1.00 0.00 S ATOM 0 H CYS A 17 -0.577 -2.682 0.473 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.220 -5.509 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.734 -3.816 -0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.719 -5.387 -0.879 1.00 0.00 H new ATOM 244 N CYS A 18 -1.368 -4.663 -2.899 1.00 0.00 N ATOM 245 CA CYS A 18 -1.319 -4.208 -4.325 1.00 0.00 C ATOM 246 C CYS A 18 -2.694 -3.687 -4.760 1.00 0.00 C ATOM 247 O CYS A 18 -3.639 -3.685 -3.994 1.00 0.00 O ATOM 248 CB CYS A 18 -0.907 -5.381 -5.223 1.00 0.00 C ATOM 249 SG CYS A 18 0.626 -6.121 -4.597 1.00 0.00 S ATOM 0 H CYS A 18 -1.962 -5.474 -2.724 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.589 -3.403 -4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.700 -6.129 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.764 -5.035 -6.247 1.00 0.00 H new ATOM 254 N GLU A 19 -2.803 -3.242 -5.988 1.00 0.00 N ATOM 255 CA GLU A 19 -4.105 -2.708 -6.493 1.00 0.00 C ATOM 256 C GLU A 19 -5.178 -3.801 -6.431 1.00 0.00 C ATOM 257 O GLU A 19 -6.247 -3.597 -5.888 1.00 0.00 O ATOM 258 CB GLU A 19 -3.931 -2.236 -7.944 1.00 0.00 C ATOM 259 CG GLU A 19 -3.883 -0.707 -7.988 1.00 0.00 C ATOM 260 CD GLU A 19 -4.577 -0.206 -9.258 1.00 0.00 C ATOM 261 OE1 GLU A 19 -4.401 -0.831 -10.290 1.00 0.00 O ATOM 262 OE2 GLU A 19 -5.271 0.793 -9.175 1.00 0.00 O ATOM 0 H GLU A 19 -2.041 -3.226 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.417 -1.870 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.014 -2.650 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.755 -2.601 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.372 -0.293 -7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.848 -0.365 -7.968 1.00 0.00 H new ATOM 269 N LEU A 20 -4.901 -4.960 -6.982 1.00 0.00 N ATOM 270 CA LEU A 20 -5.905 -6.075 -6.954 1.00 0.00 C ATOM 271 C LEU A 20 -6.370 -6.327 -5.512 1.00 0.00 C ATOM 272 O LEU A 20 -7.462 -6.810 -5.277 1.00 0.00 O ATOM 273 CB LEU A 20 -5.265 -7.349 -7.511 1.00 0.00 C ATOM 274 CG LEU A 20 -4.964 -7.161 -8.999 1.00 0.00 C ATOM 275 CD1 LEU A 20 -3.760 -8.020 -9.389 1.00 0.00 C ATOM 276 CD2 LEU A 20 -6.181 -7.588 -9.822 1.00 0.00 C ATOM 0 H LEU A 20 -4.023 -5.183 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.765 -5.797 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.346 -7.574 -6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.935 -8.197 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.741 -6.112 -9.195 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.546 -7.886 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.892 -7.718 -8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.983 -9.069 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.968 -7.455 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.403 -8.637 -9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.040 -6.977 -9.545 1.00 0.00 H new ATOM 288 N THR A 21 -5.546 -5.990 -4.554 1.00 0.00 N ATOM 289 CA THR A 21 -5.916 -6.186 -3.126 1.00 0.00 C ATOM 290 C THR A 21 -5.605 -4.893 -2.363 1.00 0.00 C ATOM 291 O THR A 21 -4.526 -4.744 -1.835 1.00 0.00 O ATOM 292 CB THR A 21 -5.086 -7.332 -2.540 1.00 0.00 C ATOM 293 OG1 THR A 21 -3.708 -6.975 -2.573 1.00 0.00 O ATOM 294 CG2 THR A 21 -5.309 -8.600 -3.368 1.00 0.00 C ATOM 0 H THR A 21 -4.623 -5.583 -4.705 1.00 0.00 H new ATOM 0 HA THR A 21 -6.975 -6.428 -3.041 1.00 0.00 H new ATOM 0 HB THR A 21 -5.391 -7.518 -1.510 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.622 -5.999 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.718 -9.416 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.365 -8.868 -3.345 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.003 -8.420 -4.398 1.00 0.00 H new ATOM 302 N PRO A 22 -6.549 -3.981 -2.329 1.00 0.00 N ATOM 303 CA PRO A 22 -6.383 -2.669 -1.633 1.00 0.00 C ATOM 304 C PRO A 22 -6.668 -2.784 -0.131 1.00 0.00 C ATOM 305 O PRO A 22 -6.774 -1.779 0.549 1.00 0.00 O ATOM 306 CB PRO A 22 -7.409 -1.775 -2.314 1.00 0.00 C ATOM 307 CG PRO A 22 -8.483 -2.679 -2.892 1.00 0.00 C ATOM 308 CD PRO A 22 -7.909 -4.095 -2.967 1.00 0.00 C ATOM 0 HA PRO A 22 -5.365 -2.286 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.841 -1.073 -1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.941 -1.183 -3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.375 -2.661 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.781 -2.334 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.539 -4.808 -2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.837 -4.441 -3.998 1.00 0.00 H new ATOM 316 N VAL A 23 -6.789 -3.984 0.403 1.00 0.00 N ATOM 317 CA VAL A 23 -7.064 -4.106 1.868 1.00 0.00 C ATOM 318 C VAL A 23 -6.019 -5.007 2.541 1.00 0.00 C ATOM 319 O VAL A 23 -5.542 -5.968 1.970 1.00 0.00 O ATOM 320 CB VAL A 23 -8.477 -4.663 2.082 1.00 0.00 C ATOM 321 CG1 VAL A 23 -8.602 -6.071 1.500 1.00 0.00 C ATOM 322 CG2 VAL A 23 -8.797 -4.694 3.581 1.00 0.00 C ATOM 0 H VAL A 23 -6.710 -4.865 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.000 -3.118 2.325 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.186 -4.014 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.613 -6.444 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.395 -6.042 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.887 -6.732 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.801 -5.090 3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.076 -5.330 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.742 -3.684 3.986 1.00 0.00 H new ATOM 332 N CYS A 24 -5.675 -4.692 3.763 1.00 0.00 N ATOM 333 CA CYS A 24 -4.676 -5.506 4.514 1.00 0.00 C ATOM 334 C CYS A 24 -5.327 -5.982 5.814 1.00 0.00 C ATOM 335 O CYS A 24 -5.387 -5.258 6.791 1.00 0.00 O ATOM 336 CB CYS A 24 -3.446 -4.638 4.821 1.00 0.00 C ATOM 337 SG CYS A 24 -2.212 -5.581 5.760 1.00 0.00 S ATOM 0 H CYS A 24 -6.049 -3.895 4.278 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.359 -6.367 3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.006 -4.280 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.748 -3.759 5.389 1.00 0.00 H new ATOM 342 N LYS A 25 -5.824 -7.190 5.825 1.00 0.00 N ATOM 343 CA LYS A 25 -6.489 -7.722 7.054 1.00 0.00 C ATOM 344 C LYS A 25 -5.857 -9.057 7.453 1.00 0.00 C ATOM 345 O LYS A 25 -5.461 -9.841 6.614 1.00 0.00 O ATOM 346 CB LYS A 25 -7.979 -7.928 6.776 1.00 0.00 C ATOM 347 CG LYS A 25 -8.151 -8.807 5.535 1.00 0.00 C ATOM 348 CD LYS A 25 -9.608 -9.263 5.429 1.00 0.00 C ATOM 349 CE LYS A 25 -10.479 -8.093 4.966 1.00 0.00 C ATOM 350 NZ LYS A 25 -11.099 -7.437 6.152 1.00 0.00 N ATOM 0 H LYS A 25 -5.799 -7.834 5.035 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.362 -7.008 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.459 -8.396 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.468 -6.966 6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.867 -8.252 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.492 -9.673 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.690 -10.092 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.956 -9.629 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.876 -7.373 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.254 -8.449 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.115 -7.658 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.645 -7.788 7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.970 -6.407 6.086 1.00 0.00 H new ATOM 364 N ARG A 26 -5.768 -9.318 8.735 1.00 0.00 N ATOM 365 CA ARG A 26 -5.169 -10.601 9.213 1.00 0.00 C ATOM 366 C ARG A 26 -3.721 -10.709 8.731 1.00 0.00 C ATOM 367 O ARG A 26 -3.238 -11.784 8.426 1.00 0.00 O ATOM 368 CB ARG A 26 -5.981 -11.784 8.676 1.00 0.00 C ATOM 369 CG ARG A 26 -7.091 -12.135 9.669 1.00 0.00 C ATOM 370 CD ARG A 26 -6.609 -13.241 10.610 1.00 0.00 C ATOM 371 NE ARG A 26 -7.100 -14.564 10.115 1.00 0.00 N ATOM 372 CZ ARG A 26 -7.049 -15.644 10.872 1.00 0.00 C ATOM 373 NH1 ARG A 26 -6.563 -15.607 12.092 1.00 0.00 N ATOM 374 NH2 ARG A 26 -7.490 -16.776 10.396 1.00 0.00 N ATOM 0 H ARG A 26 -6.087 -8.692 9.474 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.186 -10.618 10.303 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.412 -11.533 7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.331 -12.645 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.371 -11.252 10.243 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.982 -12.463 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.520 -13.241 10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.976 -13.059 11.620 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.483 -14.633 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.213 -14.729 12.475 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.535 -16.456 12.656 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.868 -16.819 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.457 -17.618 10.970 1.00 0.00 H new ATOM 388 N GLY A 27 -3.024 -9.602 8.663 1.00 0.00 N ATOM 389 CA GLY A 27 -1.601 -9.628 8.204 1.00 0.00 C ATOM 390 C GLY A 27 -1.522 -10.190 6.783 1.00 0.00 C ATOM 391 O GLY A 27 -0.524 -10.766 6.390 1.00 0.00 O ATOM 0 H GLY A 27 -3.381 -8.678 8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.183 -8.622 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.003 -10.239 8.880 1.00 0.00 H new ATOM 395 N SER A 28 -2.566 -10.027 6.010 1.00 0.00 N ATOM 396 CA SER A 28 -2.558 -10.549 4.613 1.00 0.00 C ATOM 397 C SER A 28 -3.247 -9.543 3.692 1.00 0.00 C ATOM 398 O SER A 28 -3.885 -8.615 4.145 1.00 0.00 O ATOM 399 CB SER A 28 -3.303 -11.884 4.562 1.00 0.00 C ATOM 400 OG SER A 28 -2.385 -12.943 4.799 1.00 0.00 O ATOM 0 H SER A 28 -3.425 -9.553 6.289 1.00 0.00 H new ATOM 0 HA SER A 28 -1.529 -10.697 4.285 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.096 -11.900 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.779 -12.011 3.590 1.00 0.00 H new ATOM 0 HG SER A 28 -1.658 -12.898 4.144 1.00 0.00 H new ATOM 406 N CYS A 29 -3.117 -9.716 2.401 1.00 0.00 N ATOM 407 CA CYS A 29 -3.763 -8.762 1.447 1.00 0.00 C ATOM 408 C CYS A 29 -4.933 -9.434 0.735 1.00 0.00 C ATOM 409 O CYS A 29 -4.849 -10.582 0.338 1.00 0.00 O ATOM 410 CB CYS A 29 -2.752 -8.334 0.383 1.00 0.00 C ATOM 411 SG CYS A 29 -1.428 -7.375 1.141 1.00 0.00 S ATOM 0 H CYS A 29 -2.592 -10.475 1.966 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.115 -7.900 2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.338 -9.213 -0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.249 -7.740 -0.384 1.00 0.00 H new ATOM 416 N VAL A 30 -6.012 -8.717 0.536 1.00 0.00 N ATOM 417 CA VAL A 30 -7.168 -9.300 -0.187 1.00 0.00 C ATOM 418 C VAL A 30 -7.911 -8.176 -0.912 1.00 0.00 C ATOM 419 O VAL A 30 -7.537 -7.010 -0.833 1.00 0.00 O ATOM 420 CB VAL A 30 -8.102 -10.026 0.790 1.00 0.00 C ATOM 421 CG1 VAL A 30 -7.324 -11.129 1.508 1.00 0.00 C ATOM 422 CG2 VAL A 30 -8.650 -9.044 1.824 1.00 0.00 C ATOM 0 H VAL A 30 -6.135 -7.753 0.846 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.816 -10.032 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.933 -10.458 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.985 -11.647 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.939 -11.839 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.492 -10.689 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.311 -9.571 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.823 -8.604 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.207 -8.256 1.318 1.00 0.00 H new ATOM 432 N SER A 31 -8.946 -8.523 -1.622 1.00 0.00 N ATOM 433 CA SER A 31 -9.722 -7.500 -2.374 1.00 0.00 C ATOM 434 C SER A 31 -10.914 -7.033 -1.540 1.00 0.00 C ATOM 435 O SER A 31 -11.771 -7.814 -1.172 1.00 0.00 O ATOM 436 CB SER A 31 -10.223 -8.103 -3.687 1.00 0.00 C ATOM 437 OG SER A 31 -10.310 -7.079 -4.670 1.00 0.00 O ATOM 0 H SER A 31 -9.290 -9.479 -1.714 1.00 0.00 H new ATOM 0 HA SER A 31 -9.078 -6.647 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.545 -8.888 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.199 -8.566 -3.539 1.00 0.00 H new ATOM 0 HG SER A 31 -9.411 -6.857 -4.992 1.00 0.00 H new ATOM 443 N SER A 32 -10.972 -5.761 -1.250 1.00 0.00 N ATOM 444 CA SER A 32 -12.107 -5.219 -0.447 1.00 0.00 C ATOM 445 C SER A 32 -13.372 -5.195 -1.308 1.00 0.00 C ATOM 446 O SER A 32 -14.432 -5.614 -0.882 1.00 0.00 O ATOM 447 CB SER A 32 -11.778 -3.798 0.011 1.00 0.00 C ATOM 448 OG SER A 32 -11.864 -2.914 -1.100 1.00 0.00 O ATOM 0 H SER A 32 -10.278 -5.070 -1.536 1.00 0.00 H new ATOM 0 HA SER A 32 -12.269 -5.852 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.470 -3.486 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.777 -3.765 0.440 1.00 0.00 H new ATOM 0 HG SER A 32 -11.655 -2.002 -0.809 1.00 0.00 H new ATOM 454 N GLY A 33 -13.262 -4.710 -2.518 1.00 0.00 N ATOM 455 CA GLY A 33 -14.450 -4.654 -3.420 1.00 0.00 C ATOM 456 C GLY A 33 -13.980 -4.642 -4.884 1.00 0.00 C ATOM 457 O GLY A 33 -12.851 -4.994 -5.162 1.00 0.00 O ATOM 0 H GLY A 33 -12.397 -4.349 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.097 -5.513 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.039 -3.762 -3.208 1.00 0.00 H new ATOM 461 N PRO A 34 -14.855 -4.240 -5.785 1.00 0.00 N ATOM 462 CA PRO A 34 -14.557 -4.171 -7.251 1.00 0.00 C ATOM 463 C PRO A 34 -13.909 -2.830 -7.604 1.00 0.00 C ATOM 464 O PRO A 34 -14.068 -1.850 -6.900 1.00 0.00 O ATOM 465 CB PRO A 34 -15.931 -4.297 -7.893 1.00 0.00 C ATOM 466 CG PRO A 34 -16.954 -3.830 -6.870 1.00 0.00 C ATOM 467 CD PRO A 34 -16.266 -3.795 -5.501 1.00 0.00 C ATOM 0 HA PRO A 34 -13.860 -4.939 -7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.989 -3.692 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.125 -5.329 -8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -17.333 -2.842 -7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -17.810 -4.505 -6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -16.289 -2.794 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.758 -4.460 -4.791 1.00 0.00 H new ATOM 475 N GLY A 35 -13.180 -2.782 -8.691 1.00 0.00 N ATOM 476 CA GLY A 35 -12.515 -1.510 -9.101 1.00 0.00 C ATOM 477 C GLY A 35 -11.815 -1.710 -10.445 1.00 0.00 C ATOM 478 O GLY A 35 -12.050 -0.981 -11.391 1.00 0.00 O ATOM 0 H GLY A 35 -13.017 -3.573 -9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -13.252 -0.711 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.792 -1.205 -8.344 1.00 0.00 H new ATOM 482 N LEU A 36 -10.956 -2.694 -10.535 1.00 0.00 N ATOM 483 CA LEU A 36 -10.235 -2.951 -11.816 1.00 0.00 C ATOM 484 C LEU A 36 -11.206 -3.544 -12.838 1.00 0.00 C ATOM 485 O LEU A 36 -12.194 -4.159 -12.481 1.00 0.00 O ATOM 486 CB LEU A 36 -9.089 -3.935 -11.567 1.00 0.00 C ATOM 487 CG LEU A 36 -7.801 -3.160 -11.288 1.00 0.00 C ATOM 488 CD1 LEU A 36 -7.857 -2.565 -9.880 1.00 0.00 C ATOM 489 CD2 LEU A 36 -6.604 -4.109 -11.391 1.00 0.00 C ATOM 0 H LEU A 36 -10.723 -3.331 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.832 -2.014 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.327 -4.581 -10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.956 -4.581 -12.434 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.695 -2.357 -12.018 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.939 -2.013 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.710 -1.890 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.963 -3.367 -9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.685 -3.558 -11.192 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.712 -4.911 -10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.562 -4.535 -12.394 1.00 0.00 H new ATOM 501 N VAL A 37 -10.931 -3.364 -14.104 1.00 0.00 N ATOM 502 CA VAL A 37 -11.833 -3.914 -15.158 1.00 0.00 C ATOM 503 C VAL A 37 -11.259 -5.231 -15.685 1.00 0.00 C ATOM 504 O VAL A 37 -10.283 -5.742 -15.169 1.00 0.00 O ATOM 505 CB VAL A 37 -11.949 -2.910 -16.307 1.00 0.00 C ATOM 506 CG1 VAL A 37 -12.659 -1.649 -15.814 1.00 0.00 C ATOM 507 CG2 VAL A 37 -10.549 -2.543 -16.806 1.00 0.00 C ATOM 0 H VAL A 37 -10.117 -2.858 -14.454 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.821 -4.093 -14.733 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.522 -3.355 -17.121 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.741 -0.934 -16.633 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.656 -1.909 -15.457 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.087 -1.204 -15.000 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.630 -1.828 -17.625 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.977 -2.099 -15.991 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.041 -3.441 -17.158 1.00 0.00 H new ATOM 517 N GLY A 38 -11.860 -5.780 -16.710 1.00 0.00 N ATOM 518 CA GLY A 38 -11.356 -7.065 -17.280 1.00 0.00 C ATOM 519 C GLY A 38 -12.123 -8.234 -16.658 1.00 0.00 C ATOM 520 O GLY A 38 -11.536 -9.197 -16.199 1.00 0.00 O ATOM 0 H GLY A 38 -12.680 -5.392 -17.177 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.481 -7.069 -18.363 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.289 -7.170 -17.082 1.00 0.00 H new ATOM 524 N GLY A 39 -13.428 -8.156 -16.641 1.00 0.00 N ATOM 525 CA GLY A 39 -14.244 -9.259 -16.051 1.00 0.00 C ATOM 526 C GLY A 39 -14.031 -9.297 -14.537 1.00 0.00 C ATOM 527 O GLY A 39 -13.295 -8.500 -13.985 1.00 0.00 O ATOM 0 H GLY A 39 -13.966 -7.373 -17.012 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.299 -9.106 -16.277 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.959 -10.214 -16.493 1.00 0.00 H new ATOM 531 N ILE A 40 -14.672 -10.218 -13.864 1.00 0.00 N ATOM 532 CA ILE A 40 -14.514 -10.318 -12.383 1.00 0.00 C ATOM 533 C ILE A 40 -14.267 -11.778 -11.994 1.00 0.00 C ATOM 534 O ILE A 40 -14.816 -12.275 -11.027 1.00 0.00 O ATOM 535 CB ILE A 40 -15.788 -9.809 -11.701 1.00 0.00 C ATOM 536 CG1 ILE A 40 -16.102 -8.396 -12.201 1.00 0.00 C ATOM 537 CG2 ILE A 40 -15.580 -9.778 -10.187 1.00 0.00 C ATOM 538 CD1 ILE A 40 -17.465 -7.956 -11.666 1.00 0.00 C ATOM 0 H ILE A 40 -15.300 -10.907 -14.278 1.00 0.00 H new ATOM 0 HA ILE A 40 -13.666 -9.712 -12.063 1.00 0.00 H new ATOM 0 HB ILE A 40 -16.618 -10.474 -11.939 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.329 -7.702 -11.871 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -16.104 -8.377 -13.291 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -16.487 -9.416 -9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -15.355 -10.783 -9.830 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -14.750 -9.113 -9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.688 -6.950 -12.022 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -18.233 -8.644 -12.018 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -17.446 -7.959 -10.576 1.00 0.00 H new ATOM 550 N LEU A 41 -13.444 -12.467 -12.743 1.00 0.00 N ATOM 551 CA LEU A 41 -13.152 -13.896 -12.427 1.00 0.00 C ATOM 552 C LEU A 41 -11.847 -13.987 -11.632 1.00 0.00 C ATOM 553 O LEU A 41 -11.043 -14.877 -11.840 1.00 0.00 O ATOM 554 CB LEU A 41 -13.015 -14.688 -13.730 1.00 0.00 C ATOM 555 CG LEU A 41 -14.319 -14.602 -14.522 1.00 0.00 C ATOM 556 CD1 LEU A 41 -14.048 -14.926 -15.992 1.00 0.00 C ATOM 557 CD2 LEU A 41 -15.326 -15.607 -13.956 1.00 0.00 C ATOM 0 H LEU A 41 -12.961 -12.099 -13.562 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.967 -14.312 -11.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.191 -14.292 -14.323 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.779 -15.729 -13.511 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.726 -13.594 -14.442 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.979 -14.864 -16.556 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.331 -14.211 -16.396 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.641 -15.934 -16.073 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.257 -15.547 -14.520 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.918 -16.615 -14.036 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.521 -15.376 -12.909 1.00 0.00 H new ATOM 569 N GLY A 42 -11.633 -13.072 -10.721 1.00 0.00 N ATOM 570 CA GLY A 42 -10.383 -13.095 -9.906 1.00 0.00 C ATOM 571 C GLY A 42 -9.244 -12.449 -10.696 1.00 0.00 C ATOM 572 O GLY A 42 -8.686 -11.447 -10.290 1.00 0.00 O ATOM 0 H GLY A 42 -12.273 -12.308 -10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.538 -12.560 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.124 -14.122 -9.648 1.00 0.00 H new ATOM 576 N GLY A 43 -8.896 -13.018 -11.823 1.00 0.00 N ATOM 577 CA GLY A 43 -7.793 -12.445 -12.648 1.00 0.00 C ATOM 578 C GLY A 43 -7.327 -13.483 -13.671 1.00 0.00 C ATOM 579 O GLY A 43 -6.709 -14.472 -13.325 1.00 0.00 O ATOM 0 H GLY A 43 -9.331 -13.857 -12.207 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.136 -11.545 -13.158 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.961 -12.151 -12.008 1.00 0.00 H new ATOM 583 N ILE A 44 -7.619 -13.261 -14.928 1.00 0.00 N ATOM 584 CA ILE A 44 -7.198 -14.229 -15.982 1.00 0.00 C ATOM 585 C ILE A 44 -5.666 -14.287 -16.036 1.00 0.00 C ATOM 586 O ILE A 44 -4.987 -13.371 -15.611 1.00 0.00 O ATOM 587 CB ILE A 44 -7.763 -13.778 -17.338 1.00 0.00 C ATOM 588 CG1 ILE A 44 -7.350 -14.771 -18.431 1.00 0.00 C ATOM 589 CG2 ILE A 44 -7.234 -12.384 -17.689 1.00 0.00 C ATOM 590 CD1 ILE A 44 -8.212 -14.550 -19.675 1.00 0.00 C ATOM 0 H ILE A 44 -8.132 -12.448 -15.269 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.581 -15.223 -15.750 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.850 -13.744 -17.272 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.297 -14.639 -18.678 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.467 -15.793 -18.071 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.640 -12.073 -18.652 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.539 -11.675 -16.920 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.146 -12.411 -17.746 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.918 -15.256 -20.452 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.261 -14.704 -19.423 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.072 -13.532 -20.038 1.00 0.00 H new ATOM 602 N LEU A 45 -5.121 -15.360 -16.556 1.00 0.00 N ATOM 603 CA LEU A 45 -3.633 -15.492 -16.644 1.00 0.00 C ATOM 604 C LEU A 45 -3.026 -15.430 -15.240 1.00 0.00 C ATOM 605 O LEU A 45 -2.785 -16.483 -14.673 1.00 0.00 O ATOM 606 CB LEU A 45 -3.065 -14.354 -17.496 1.00 0.00 C ATOM 607 CG LEU A 45 -1.844 -14.857 -18.270 1.00 0.00 C ATOM 608 CD1 LEU A 45 -2.305 -15.586 -19.532 1.00 0.00 C ATOM 609 CD2 LEU A 45 -0.965 -13.667 -18.661 1.00 0.00 C ATOM 610 OXT LEU A 45 -2.812 -14.330 -14.756 1.00 0.00 O ATOM 0 H LEU A 45 -5.645 -16.153 -16.925 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.384 -16.448 -17.104 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.824 -13.990 -18.189 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.785 -13.514 -16.860 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.273 -15.542 -17.644 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.436 -15.944 -20.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.933 -16.433 -19.254 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.876 -14.902 -20.160 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.095 -14.023 -19.212 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.537 -12.983 -19.288 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.636 -13.146 -17.762 1.00 0.00 H new TER 622 LEU A 45