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+ -118:sc= 0.118 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.14) 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= -0.284 K(o=-0.28,f=-1.2) USER MOD Single : A 21 THR OG1 : rot -152:sc= -1.27 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -60:sc= 0.744 USER MOD Single : A 31 SER OG : rot 50:sc= 0.0673 USER MOD Single : A 32 SER OG : rot 180:sc= -0.643 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.393 -0.463 -14.228 1.00 0.00 N ATOM 2 CA LEU A 1 3.423 0.239 -13.339 1.00 0.00 C ATOM 3 C LEU A 1 3.916 0.171 -11.892 1.00 0.00 C ATOM 4 O LEU A 1 4.948 -0.408 -11.606 1.00 0.00 O ATOM 5 CB LEU A 1 2.055 -0.438 -13.443 1.00 0.00 C ATOM 6 CG LEU A 1 1.285 0.144 -14.629 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.226 -0.856 -15.092 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.604 1.447 -14.204 1.00 0.00 C ATOM 0 H1 LEU A 1 4.789 0.213 -14.912 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.162 -0.865 -13.654 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.906 -1.227 -14.738 1.00 0.00 H new ATOM 0 HA LEU A 1 3.338 1.282 -13.645 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.179 -1.514 -13.569 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.492 -0.288 -12.522 1.00 0.00 H new ATOM 0 HG LEU A 1 1.977 0.344 -15.447 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.322 -0.440 -15.937 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.710 -1.784 -15.395 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.466 -1.058 -14.274 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.055 1.863 -15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.087 1.246 -13.385 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.359 2.161 -13.875 1.00 0.00 H new ATOM 22 N LEU A 2 3.184 0.759 -10.980 1.00 0.00 N ATOM 23 CA LEU A 2 3.601 0.734 -9.548 1.00 0.00 C ATOM 24 C LEU A 2 2.378 0.471 -8.666 1.00 0.00 C ATOM 25 O LEU A 2 2.244 1.028 -7.592 1.00 0.00 O ATOM 26 CB LEU A 2 4.223 2.082 -9.172 1.00 0.00 C ATOM 27 CG LEU A 2 3.249 3.209 -9.520 1.00 0.00 C ATOM 28 CD1 LEU A 2 3.406 4.348 -8.510 1.00 0.00 C ATOM 29 CD2 LEU A 2 3.555 3.732 -10.925 1.00 0.00 C ATOM 0 H LEU A 2 2.313 1.256 -11.167 1.00 0.00 H new ATOM 0 HA LEU A 2 4.335 -0.058 -9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.455 2.103 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.163 2.222 -9.705 1.00 0.00 H new ATOM 0 HG LEU A 2 2.228 2.829 -9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.712 5.152 -8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.190 3.978 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.427 4.727 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.861 4.535 -11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.576 4.112 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.446 2.922 -11.646 1.00 0.00 H new ATOM 41 N ALA A 3 1.486 -0.375 -9.115 1.00 0.00 N ATOM 42 CA ALA A 3 0.265 -0.681 -8.313 1.00 0.00 C ATOM 43 C ALA A 3 0.450 -2.021 -7.595 1.00 0.00 C ATOM 44 O ALA A 3 -0.466 -2.817 -7.504 1.00 0.00 O ATOM 45 CB ALA A 3 -0.946 -0.760 -9.243 1.00 0.00 C ATOM 0 H ALA A 3 1.552 -0.868 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 3 0.105 0.105 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.839 -0.983 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.076 0.194 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.788 -1.547 -9.980 1.00 0.00 H new ATOM 51 N CYS A 4 1.628 -2.270 -7.082 1.00 0.00 N ATOM 52 CA CYS A 4 1.886 -3.550 -6.363 1.00 0.00 C ATOM 53 C CYS A 4 3.318 -3.534 -5.827 1.00 0.00 C ATOM 54 O CYS A 4 4.262 -3.826 -6.538 1.00 0.00 O ATOM 55 CB CYS A 4 1.705 -4.730 -7.327 1.00 0.00 C ATOM 56 SG CYS A 4 1.927 -6.301 -6.444 1.00 0.00 S ATOM 0 H CYS A 4 2.426 -1.636 -7.132 1.00 0.00 H new ATOM 0 HA CYS A 4 1.184 -3.659 -5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.712 -4.694 -7.775 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.426 -4.657 -8.142 1.00 0.00 H new ATOM 61 N LEU A 5 3.478 -3.192 -4.578 1.00 0.00 N ATOM 62 CA LEU A 5 4.845 -3.149 -3.976 1.00 0.00 C ATOM 63 C LEU A 5 5.342 -4.575 -3.742 1.00 0.00 C ATOM 64 O LEU A 5 6.527 -4.844 -3.803 1.00 0.00 O ATOM 65 CB LEU A 5 4.798 -2.404 -2.638 1.00 0.00 C ATOM 66 CG LEU A 5 4.105 -1.051 -2.822 1.00 0.00 C ATOM 67 CD1 LEU A 5 3.959 -0.364 -1.464 1.00 0.00 C ATOM 68 CD2 LEU A 5 4.942 -0.169 -3.751 1.00 0.00 C ATOM 0 H LEU A 5 2.719 -2.939 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 5 5.521 -2.630 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.263 -2.999 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.809 -2.257 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 5 3.119 -1.206 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.466 0.599 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.362 -0.991 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.945 -0.210 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.448 0.794 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.929 -0.014 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.046 -0.657 -4.720 1.00 0.00 H new ATOM 80 N PHE A 6 4.444 -5.487 -3.475 1.00 0.00 N ATOM 81 CA PHE A 6 4.856 -6.901 -3.233 1.00 0.00 C ATOM 82 C PHE A 6 3.787 -7.852 -3.779 1.00 0.00 C ATOM 83 O PHE A 6 3.945 -8.434 -4.836 1.00 0.00 O ATOM 84 CB PHE A 6 5.035 -7.131 -1.730 1.00 0.00 C ATOM 85 CG PHE A 6 6.246 -6.373 -1.245 1.00 0.00 C ATOM 86 CD1 PHE A 6 7.531 -6.817 -1.582 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.087 -5.226 -0.459 1.00 0.00 C ATOM 88 CE1 PHE A 6 8.655 -6.114 -1.132 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.211 -4.522 -0.009 1.00 0.00 C ATOM 90 CZ PHE A 6 8.495 -4.967 -0.347 1.00 0.00 C ATOM 0 H PHE A 6 3.441 -5.313 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 6 5.800 -7.095 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.146 -6.800 -1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.153 -8.195 -1.526 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.655 -7.702 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.096 -4.883 -0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.646 -6.457 -1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.088 -3.637 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.362 -4.424 -0.001 1.00 0.00 H new ATOM 100 N GLY A 7 2.705 -8.014 -3.064 1.00 0.00 N ATOM 101 CA GLY A 7 1.622 -8.927 -3.528 1.00 0.00 C ATOM 102 C GLY A 7 1.943 -10.361 -3.101 1.00 0.00 C ATOM 103 O GLY A 7 1.569 -11.312 -3.761 1.00 0.00 O ATOM 0 H GLY A 7 2.525 -7.550 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.666 -8.617 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.526 -8.872 -4.612 1.00 0.00 H new ATOM 107 N ASN A 8 2.636 -10.520 -2.000 1.00 0.00 N ATOM 108 CA ASN A 8 2.985 -11.891 -1.522 1.00 0.00 C ATOM 109 C ASN A 8 1.888 -12.425 -0.590 1.00 0.00 C ATOM 110 O ASN A 8 2.074 -13.425 0.078 1.00 0.00 O ATOM 111 CB ASN A 8 4.314 -11.839 -0.764 1.00 0.00 C ATOM 112 CG ASN A 8 5.472 -11.978 -1.753 1.00 0.00 C ATOM 113 OD1 ASN A 8 5.600 -11.192 -2.671 1.00 0.00 O ATOM 114 ND2 ASN A 8 6.327 -12.952 -1.605 1.00 0.00 N ATOM 0 H ASN A 8 2.975 -9.758 -1.412 1.00 0.00 H new ATOM 0 HA ASN A 8 3.073 -12.555 -2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.398 -10.898 -0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.355 -12.639 -0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.103 -13.054 -2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.220 -13.612 -0.835 1.00 0.00 H new ATOM 121 N GLY A 9 0.745 -11.777 -0.541 1.00 0.00 N ATOM 122 CA GLY A 9 -0.355 -12.256 0.341 1.00 0.00 C ATOM 123 C GLY A 9 -0.123 -11.822 1.797 1.00 0.00 C ATOM 124 O GLY A 9 -0.945 -12.086 2.654 1.00 0.00 O ATOM 0 H GLY A 9 0.532 -10.936 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.307 -11.861 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.421 -13.343 0.288 1.00 0.00 H new ATOM 128 N ARG A 10 0.978 -11.162 2.090 1.00 0.00 N ATOM 129 CA ARG A 10 1.237 -10.724 3.495 1.00 0.00 C ATOM 130 C ARG A 10 1.510 -9.220 3.514 1.00 0.00 C ATOM 131 O ARG A 10 2.205 -8.696 2.664 1.00 0.00 O ATOM 132 CB ARG A 10 2.453 -11.467 4.050 1.00 0.00 C ATOM 133 CG ARG A 10 3.633 -11.282 3.100 1.00 0.00 C ATOM 134 CD ARG A 10 4.825 -12.106 3.591 1.00 0.00 C ATOM 135 NE ARG A 10 6.097 -11.395 3.254 1.00 0.00 N ATOM 136 CZ ARG A 10 7.252 -11.770 3.769 1.00 0.00 C ATOM 137 NH1 ARG A 10 7.338 -12.782 4.601 1.00 0.00 N ATOM 138 NH2 ARG A 10 8.334 -11.117 3.444 1.00 0.00 N ATOM 0 H ARG A 10 1.702 -10.911 1.417 1.00 0.00 H new ATOM 0 HA ARG A 10 0.365 -10.947 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.705 -11.087 5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.225 -12.527 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.354 -11.593 2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.906 -10.228 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.756 -12.259 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.814 -13.093 3.128 1.00 0.00 H new ATOM 0 HE ARG A 10 6.071 -10.603 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.499 -13.299 4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.244 -13.051 4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.279 -10.328 2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.234 -11.395 3.834 1.00 0.00 H new ATOM 152 N CYS A 11 0.962 -8.528 4.474 1.00 0.00 N ATOM 153 CA CYS A 11 1.177 -7.049 4.556 1.00 0.00 C ATOM 154 C CYS A 11 1.116 -6.572 6.005 1.00 0.00 C ATOM 155 O CYS A 11 0.651 -7.267 6.888 1.00 0.00 O ATOM 156 CB CYS A 11 0.086 -6.319 3.769 1.00 0.00 C ATOM 157 SG CYS A 11 -1.552 -6.909 4.284 1.00 0.00 S ATOM 0 H CYS A 11 0.373 -8.920 5.208 1.00 0.00 H new ATOM 0 HA CYS A 11 2.160 -6.831 4.139 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.163 -5.245 3.935 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.223 -6.487 2.701 1.00 0.00 H new ATOM 162 N SER A 12 1.558 -5.364 6.235 1.00 0.00 N ATOM 163 CA SER A 12 1.511 -4.782 7.606 1.00 0.00 C ATOM 164 C SER A 12 0.404 -3.721 7.655 1.00 0.00 C ATOM 165 O SER A 12 -0.170 -3.450 8.691 1.00 0.00 O ATOM 166 CB SER A 12 2.858 -4.137 7.940 1.00 0.00 C ATOM 167 OG SER A 12 3.118 -4.287 9.329 1.00 0.00 O ATOM 0 H SER A 12 1.954 -4.750 5.523 1.00 0.00 H new ATOM 0 HA SER A 12 1.304 -5.567 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.652 -4.603 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.845 -3.080 7.673 1.00 0.00 H new ATOM 0 HG SER A 12 3.981 -3.877 9.546 1.00 0.00 H new ATOM 173 N SER A 13 0.100 -3.137 6.526 1.00 0.00 N ATOM 174 CA SER A 13 -0.969 -2.104 6.454 1.00 0.00 C ATOM 175 C SER A 13 -1.629 -2.190 5.076 1.00 0.00 C ATOM 176 O SER A 13 -1.264 -3.017 4.261 1.00 0.00 O ATOM 177 CB SER A 13 -0.356 -0.716 6.647 1.00 0.00 C ATOM 178 OG SER A 13 0.912 -0.669 6.006 1.00 0.00 O ATOM 0 H SER A 13 0.557 -3.338 5.636 1.00 0.00 H new ATOM 0 HA SER A 13 -1.710 -2.273 7.236 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.015 0.046 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.247 -0.498 7.710 1.00 0.00 H new ATOM 0 HG SER A 13 1.307 0.220 6.127 1.00 0.00 H new ATOM 184 N ASN A 14 -2.595 -1.350 4.809 1.00 0.00 N ATOM 185 CA ASN A 14 -3.281 -1.392 3.481 1.00 0.00 C ATOM 186 C ASN A 14 -2.292 -1.017 2.370 1.00 0.00 C ATOM 187 O ASN A 14 -2.325 -1.571 1.287 1.00 0.00 O ATOM 188 CB ASN A 14 -4.446 -0.400 3.481 1.00 0.00 C ATOM 189 CG ASN A 14 -5.715 -1.103 3.969 1.00 0.00 C ATOM 190 OD1 ASN A 14 -5.687 -1.817 4.952 1.00 0.00 O ATOM 191 ND2 ASN A 14 -6.833 -0.930 3.318 1.00 0.00 N ATOM 0 H ASN A 14 -2.939 -0.637 5.452 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.655 -2.400 3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.216 0.448 4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.600 -0.004 2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.684 -1.394 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.855 -0.330 2.493 1.00 0.00 H new ATOM 198 N ARG A 15 -1.420 -0.076 2.631 1.00 0.00 N ATOM 199 CA ARG A 15 -0.434 0.349 1.591 1.00 0.00 C ATOM 200 C ARG A 15 0.578 -0.766 1.299 1.00 0.00 C ATOM 201 O ARG A 15 1.338 -0.675 0.353 1.00 0.00 O ATOM 202 CB ARG A 15 0.310 1.595 2.076 1.00 0.00 C ATOM 203 CG ARG A 15 -0.600 2.818 1.942 1.00 0.00 C ATOM 204 CD ARG A 15 0.239 4.092 2.054 1.00 0.00 C ATOM 205 NE ARG A 15 -0.461 5.214 1.354 1.00 0.00 N ATOM 206 CZ ARG A 15 -0.486 5.296 0.038 1.00 0.00 C ATOM 207 NH1 ARG A 15 0.099 4.395 -0.719 1.00 0.00 N ATOM 208 NH2 ARG A 15 -1.108 6.295 -0.526 1.00 0.00 N ATOM 0 H ARG A 15 -1.348 0.417 3.521 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.977 0.569 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.615 1.468 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.219 1.739 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.120 2.795 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.364 2.803 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.397 4.345 3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.223 3.932 1.613 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.929 5.932 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.587 3.609 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.065 4.482 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.567 7.000 0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.135 6.370 -1.543 1.00 0.00 H new ATOM 222 N ASP A 16 0.600 -1.813 2.088 1.00 0.00 N ATOM 223 CA ASP A 16 1.567 -2.920 1.833 1.00 0.00 C ATOM 224 C ASP A 16 0.954 -3.959 0.882 1.00 0.00 C ATOM 225 O ASP A 16 1.461 -5.058 0.758 1.00 0.00 O ATOM 226 CB ASP A 16 1.917 -3.594 3.158 1.00 0.00 C ATOM 227 CG ASP A 16 3.132 -2.904 3.779 1.00 0.00 C ATOM 228 OD1 ASP A 16 4.241 -3.297 3.457 1.00 0.00 O ATOM 229 OD2 ASP A 16 2.932 -1.993 4.566 1.00 0.00 O ATOM 0 H ASP A 16 -0.009 -1.946 2.895 1.00 0.00 H new ATOM 0 HA ASP A 16 2.465 -2.508 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.068 -3.541 3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.130 -4.651 2.995 1.00 0.00 H new ATOM 234 N CYS A 17 -0.130 -3.630 0.209 1.00 0.00 N ATOM 235 CA CYS A 17 -0.755 -4.617 -0.725 1.00 0.00 C ATOM 236 C CYS A 17 -0.671 -4.101 -2.164 1.00 0.00 C ATOM 237 O CYS A 17 -0.029 -3.105 -2.439 1.00 0.00 O ATOM 238 CB CYS A 17 -2.218 -4.826 -0.341 1.00 0.00 C ATOM 239 SG CYS A 17 -2.301 -5.601 1.289 1.00 0.00 S ATOM 0 H CYS A 17 -0.602 -2.728 0.268 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.220 -5.564 -0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.743 -3.871 -0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.714 -5.454 -1.081 1.00 0.00 H new ATOM 244 N CYS A 18 -1.313 -4.779 -3.087 1.00 0.00 N ATOM 245 CA CYS A 18 -1.269 -4.339 -4.514 1.00 0.00 C ATOM 246 C CYS A 18 -2.665 -3.894 -4.961 1.00 0.00 C ATOM 247 O CYS A 18 -3.594 -3.849 -4.176 1.00 0.00 O ATOM 248 CB CYS A 18 -0.802 -5.502 -5.394 1.00 0.00 C ATOM 249 SG CYS A 18 0.782 -6.134 -4.786 1.00 0.00 S ATOM 0 H CYS A 18 -1.865 -5.618 -2.911 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.574 -3.505 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.548 -6.297 -5.388 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.699 -5.170 -6.427 1.00 0.00 H new ATOM 254 N GLU A 19 -2.815 -3.562 -6.220 1.00 0.00 N ATOM 255 CA GLU A 19 -4.142 -3.112 -6.734 1.00 0.00 C ATOM 256 C GLU A 19 -5.162 -4.246 -6.609 1.00 0.00 C ATOM 257 O GLU A 19 -6.274 -4.042 -6.156 1.00 0.00 O ATOM 258 CB GLU A 19 -4.009 -2.713 -8.206 1.00 0.00 C ATOM 259 CG GLU A 19 -5.025 -1.622 -8.534 1.00 0.00 C ATOM 260 CD GLU A 19 -4.690 -0.999 -9.890 1.00 0.00 C ATOM 261 OE1 GLU A 19 -3.515 -0.884 -10.194 1.00 0.00 O ATOM 262 OE2 GLU A 19 -5.615 -0.648 -10.604 1.00 0.00 O ATOM 0 H GLU A 19 -2.070 -3.584 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.480 -2.257 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.999 -2.356 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.173 -3.581 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.031 -2.042 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.015 -0.856 -7.758 1.00 0.00 H new ATOM 269 N LEU A 20 -4.794 -5.439 -7.006 1.00 0.00 N ATOM 270 CA LEU A 20 -5.740 -6.598 -6.915 1.00 0.00 C ATOM 271 C LEU A 20 -6.217 -6.778 -5.466 1.00 0.00 C ATOM 272 O LEU A 20 -7.265 -7.345 -5.218 1.00 0.00 O ATOM 273 CB LEU A 20 -5.029 -7.871 -7.378 1.00 0.00 C ATOM 274 CG LEU A 20 -4.835 -7.825 -8.894 1.00 0.00 C ATOM 275 CD1 LEU A 20 -3.475 -7.204 -9.217 1.00 0.00 C ATOM 276 CD2 LEU A 20 -4.891 -9.247 -9.457 1.00 0.00 C ATOM 0 H LEU A 20 -3.876 -5.662 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.603 -6.405 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.064 -7.963 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.615 -8.748 -7.102 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.625 -7.223 -9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.337 -7.172 -10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.433 -6.192 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.685 -7.806 -8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.753 -9.216 -10.538 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.101 -9.848 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.860 -9.691 -9.228 1.00 0.00 H new ATOM 288 N THR A 21 -5.456 -6.299 -4.515 1.00 0.00 N ATOM 289 CA THR A 21 -5.854 -6.436 -3.084 1.00 0.00 C ATOM 290 C THR A 21 -5.683 -5.078 -2.390 1.00 0.00 C ATOM 291 O THR A 21 -4.646 -4.812 -1.822 1.00 0.00 O ATOM 292 CB THR A 21 -4.955 -7.471 -2.406 1.00 0.00 C ATOM 293 OG1 THR A 21 -3.593 -7.097 -2.587 1.00 0.00 O ATOM 294 CG2 THR A 21 -5.197 -8.846 -3.028 1.00 0.00 C ATOM 0 H THR A 21 -4.571 -5.816 -4.671 1.00 0.00 H new ATOM 0 HA THR A 21 -6.893 -6.759 -3.015 1.00 0.00 H new ATOM 0 HB THR A 21 -5.184 -7.514 -1.341 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.029 -7.899 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.556 -9.582 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.241 -9.128 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.967 -8.809 -4.093 1.00 0.00 H new ATOM 302 N PRO A 22 -6.700 -4.248 -2.458 1.00 0.00 N ATOM 303 CA PRO A 22 -6.680 -2.886 -1.838 1.00 0.00 C ATOM 304 C PRO A 22 -6.898 -2.935 -0.320 1.00 0.00 C ATOM 305 O PRO A 22 -7.000 -1.901 0.315 1.00 0.00 O ATOM 306 CB PRO A 22 -7.827 -2.160 -2.526 1.00 0.00 C ATOM 307 CG PRO A 22 -8.794 -3.219 -3.016 1.00 0.00 C ATOM 308 CD PRO A 22 -8.009 -4.522 -3.156 1.00 0.00 C ATOM 0 HA PRO A 22 -5.717 -2.393 -1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.321 -1.478 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.459 -1.560 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.619 -3.341 -2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.230 -2.928 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.538 -5.356 -2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.854 -4.782 -4.203 1.00 0.00 H new ATOM 316 N VAL A 23 -6.970 -4.107 0.277 1.00 0.00 N ATOM 317 CA VAL A 23 -7.178 -4.161 1.759 1.00 0.00 C ATOM 318 C VAL A 23 -6.108 -5.033 2.432 1.00 0.00 C ATOM 319 O VAL A 23 -5.645 -6.012 1.879 1.00 0.00 O ATOM 320 CB VAL A 23 -8.583 -4.704 2.065 1.00 0.00 C ATOM 321 CG1 VAL A 23 -8.692 -6.191 1.696 1.00 0.00 C ATOM 322 CG2 VAL A 23 -8.878 -4.518 3.557 1.00 0.00 C ATOM 0 H VAL A 23 -6.895 -5.011 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.089 -3.152 2.161 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.310 -4.153 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.696 -6.549 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.493 -6.317 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.964 -6.763 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.873 -4.901 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.139 -5.062 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.832 -3.458 3.808 1.00 0.00 H new ATOM 332 N CYS A 24 -5.729 -4.676 3.632 1.00 0.00 N ATOM 333 CA CYS A 24 -4.708 -5.465 4.382 1.00 0.00 C ATOM 334 C CYS A 24 -5.331 -5.916 5.706 1.00 0.00 C ATOM 335 O CYS A 24 -5.358 -5.176 6.672 1.00 0.00 O ATOM 336 CB CYS A 24 -3.478 -4.585 4.643 1.00 0.00 C ATOM 337 SG CYS A 24 -2.218 -5.503 5.574 1.00 0.00 S ATOM 0 H CYS A 24 -6.088 -3.861 4.129 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.395 -6.337 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.061 -4.244 3.695 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.773 -3.695 5.200 1.00 0.00 H new ATOM 342 N LYS A 25 -5.839 -7.118 5.747 1.00 0.00 N ATOM 343 CA LYS A 25 -6.477 -7.626 7.000 1.00 0.00 C ATOM 344 C LYS A 25 -5.824 -8.944 7.421 1.00 0.00 C ATOM 345 O LYS A 25 -5.437 -9.746 6.595 1.00 0.00 O ATOM 346 CB LYS A 25 -7.970 -7.855 6.751 1.00 0.00 C ATOM 347 CG LYS A 25 -8.664 -6.512 6.508 1.00 0.00 C ATOM 348 CD LYS A 25 -9.322 -6.031 7.804 1.00 0.00 C ATOM 349 CE LYS A 25 -8.372 -5.082 8.538 1.00 0.00 C ATOM 350 NZ LYS A 25 -9.138 -4.296 9.546 1.00 0.00 N ATOM 0 H LYS A 25 -5.841 -7.773 4.965 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.344 -6.891 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.109 -8.508 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.419 -8.358 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.940 -5.775 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.414 -6.616 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.260 -5.523 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.564 -6.883 8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.581 -5.649 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.890 -4.411 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.494 -3.651 10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.878 -3.744 9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.578 -4.944 10.230 1.00 0.00 H new ATOM 364 N ARG A 26 -5.705 -9.170 8.707 1.00 0.00 N ATOM 365 CA ARG A 26 -5.083 -10.434 9.207 1.00 0.00 C ATOM 366 C ARG A 26 -3.644 -10.543 8.695 1.00 0.00 C ATOM 367 O ARG A 26 -3.157 -11.623 8.418 1.00 0.00 O ATOM 368 CB ARG A 26 -5.893 -11.639 8.719 1.00 0.00 C ATOM 369 CG ARG A 26 -6.976 -11.976 9.745 1.00 0.00 C ATOM 370 CD ARG A 26 -7.613 -13.320 9.392 1.00 0.00 C ATOM 371 NE ARG A 26 -6.896 -14.418 10.111 1.00 0.00 N ATOM 372 CZ ARG A 26 -7.330 -15.663 10.077 1.00 0.00 C ATOM 373 NH1 ARG A 26 -8.413 -15.995 9.410 1.00 0.00 N ATOM 374 NH2 ARG A 26 -6.671 -16.586 10.721 1.00 0.00 N ATOM 0 H ARG A 26 -6.015 -8.527 9.436 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.077 -10.420 10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.348 -11.418 7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.236 -12.497 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.544 -12.018 10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.735 -11.194 9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.667 -13.318 9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.566 -13.485 8.316 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.052 -14.199 10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.938 -15.283 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.728 -16.965 9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.830 -16.341 11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.997 -17.552 10.702 1.00 0.00 H new ATOM 388 N GLY A 27 -2.962 -9.433 8.573 1.00 0.00 N ATOM 389 CA GLY A 27 -1.550 -9.461 8.083 1.00 0.00 C ATOM 390 C GLY A 27 -1.500 -10.067 6.678 1.00 0.00 C ATOM 391 O GLY A 27 -0.515 -10.665 6.287 1.00 0.00 O ATOM 0 H GLY A 27 -3.323 -8.505 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.141 -8.451 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.931 -10.046 8.763 1.00 0.00 H new ATOM 395 N SER A 28 -2.557 -9.917 5.920 1.00 0.00 N ATOM 396 CA SER A 28 -2.582 -10.482 4.541 1.00 0.00 C ATOM 397 C SER A 28 -3.304 -9.510 3.609 1.00 0.00 C ATOM 398 O SER A 28 -3.943 -8.578 4.054 1.00 0.00 O ATOM 399 CB SER A 28 -3.316 -11.823 4.549 1.00 0.00 C ATOM 400 OG SER A 28 -2.403 -12.856 4.898 1.00 0.00 O ATOM 0 H SER A 28 -3.406 -9.425 6.200 1.00 0.00 H new ATOM 0 HA SER A 28 -1.561 -10.633 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.141 -11.795 5.261 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.748 -12.020 3.568 1.00 0.00 H new ATOM 0 HG SER A 28 -1.672 -12.881 4.246 1.00 0.00 H new ATOM 406 N CYS A 29 -3.203 -9.713 2.321 1.00 0.00 N ATOM 407 CA CYS A 29 -3.882 -8.790 1.361 1.00 0.00 C ATOM 408 C CYS A 29 -5.070 -9.491 0.703 1.00 0.00 C ATOM 409 O CYS A 29 -4.981 -10.639 0.308 1.00 0.00 O ATOM 410 CB CYS A 29 -2.902 -8.375 0.263 1.00 0.00 C ATOM 411 SG CYS A 29 -1.535 -7.444 0.983 1.00 0.00 S ATOM 0 H CYS A 29 -2.681 -10.477 1.892 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.228 -7.915 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.522 -9.258 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.414 -7.768 -0.484 1.00 0.00 H new ATOM 416 N VAL A 30 -6.173 -8.798 0.560 1.00 0.00 N ATOM 417 CA VAL A 30 -7.357 -9.407 -0.097 1.00 0.00 C ATOM 418 C VAL A 30 -8.177 -8.308 -0.781 1.00 0.00 C ATOM 419 O VAL A 30 -7.770 -7.152 -0.844 1.00 0.00 O ATOM 420 CB VAL A 30 -8.216 -10.149 0.938 1.00 0.00 C ATOM 421 CG1 VAL A 30 -7.356 -11.187 1.661 1.00 0.00 C ATOM 422 CG2 VAL A 30 -8.780 -9.161 1.963 1.00 0.00 C ATOM 0 H VAL A 30 -6.299 -7.835 0.873 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.025 -10.127 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.042 -10.642 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.964 -11.715 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.961 -11.900 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.529 -10.687 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.387 -9.699 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.959 -8.659 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.396 -8.420 1.453 1.00 0.00 H new ATOM 432 N SER A 31 -9.324 -8.666 -1.286 1.00 0.00 N ATOM 433 CA SER A 31 -10.192 -7.672 -1.973 1.00 0.00 C ATOM 434 C SER A 31 -10.972 -6.862 -0.940 1.00 0.00 C ATOM 435 O SER A 31 -11.785 -7.390 -0.205 1.00 0.00 O ATOM 436 CB SER A 31 -11.169 -8.397 -2.899 1.00 0.00 C ATOM 437 OG SER A 31 -11.554 -9.629 -2.302 1.00 0.00 O ATOM 0 H SER A 31 -9.700 -9.614 -1.251 1.00 0.00 H new ATOM 0 HA SER A 31 -9.568 -6.998 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.047 -7.776 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.704 -8.579 -3.868 1.00 0.00 H new ATOM 0 HG SER A 31 -11.830 -9.471 -1.375 1.00 0.00 H new ATOM 443 N SER A 32 -10.723 -5.578 -0.880 1.00 0.00 N ATOM 444 CA SER A 32 -11.438 -4.707 0.103 1.00 0.00 C ATOM 445 C SER A 32 -12.953 -4.815 -0.102 1.00 0.00 C ATOM 446 O SER A 32 -13.724 -4.676 0.828 1.00 0.00 O ATOM 447 CB SER A 32 -11.005 -3.255 -0.098 1.00 0.00 C ATOM 448 OG SER A 32 -11.586 -2.752 -1.294 1.00 0.00 O ATOM 0 H SER A 32 -10.051 -5.092 -1.474 1.00 0.00 H new ATOM 0 HA SER A 32 -11.189 -5.032 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.316 -2.650 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.918 -3.192 -0.154 1.00 0.00 H new ATOM 0 HG SER A 32 -11.311 -1.820 -1.424 1.00 0.00 H new ATOM 454 N GLY A 33 -13.381 -5.060 -1.315 1.00 0.00 N ATOM 455 CA GLY A 33 -14.844 -5.177 -1.589 1.00 0.00 C ATOM 456 C GLY A 33 -15.062 -5.825 -2.964 1.00 0.00 C ATOM 457 O GLY A 33 -15.545 -6.937 -3.043 1.00 0.00 O ATOM 0 H GLY A 33 -12.778 -5.184 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.322 -5.776 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.309 -4.191 -1.563 1.00 0.00 H new ATOM 461 N PRO A 34 -14.702 -5.116 -4.018 1.00 0.00 N ATOM 462 CA PRO A 34 -14.849 -5.600 -5.426 1.00 0.00 C ATOM 463 C PRO A 34 -13.630 -6.432 -5.837 1.00 0.00 C ATOM 464 O PRO A 34 -12.582 -5.899 -6.150 1.00 0.00 O ATOM 465 CB PRO A 34 -14.925 -4.312 -6.233 1.00 0.00 C ATOM 466 CG PRO A 34 -14.238 -3.227 -5.420 1.00 0.00 C ATOM 467 CD PRO A 34 -14.098 -3.736 -3.982 1.00 0.00 C ATOM 0 HA PRO A 34 -15.716 -6.244 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -14.437 -4.435 -7.200 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.963 -4.044 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.259 -2.997 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.820 -2.306 -5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.054 -3.766 -3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -14.622 -3.090 -3.278 1.00 0.00 H new ATOM 475 N GLY A 35 -13.766 -7.734 -5.838 1.00 0.00 N ATOM 476 CA GLY A 35 -12.622 -8.611 -6.229 1.00 0.00 C ATOM 477 C GLY A 35 -13.086 -9.612 -7.288 1.00 0.00 C ATOM 478 O GLY A 35 -12.438 -9.805 -8.299 1.00 0.00 O ATOM 0 H GLY A 35 -14.622 -8.228 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.803 -8.006 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.240 -9.140 -5.356 1.00 0.00 H new ATOM 482 N LEU A 36 -14.208 -10.250 -7.062 1.00 0.00 N ATOM 483 CA LEU A 36 -14.733 -11.243 -8.048 1.00 0.00 C ATOM 484 C LEU A 36 -13.695 -12.353 -8.270 1.00 0.00 C ATOM 485 O LEU A 36 -13.210 -12.555 -9.369 1.00 0.00 O ATOM 486 CB LEU A 36 -15.027 -10.527 -9.369 1.00 0.00 C ATOM 487 CG LEU A 36 -15.669 -11.504 -10.356 1.00 0.00 C ATOM 488 CD1 LEU A 36 -17.190 -11.469 -10.194 1.00 0.00 C ATOM 489 CD2 LEU A 36 -15.302 -11.097 -11.785 1.00 0.00 C ATOM 0 H LEU A 36 -14.786 -10.124 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.650 -11.692 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -15.693 -9.682 -9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -14.105 -10.125 -9.789 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.305 -12.512 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.647 -12.165 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.454 -11.756 -9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.554 -10.461 -10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.758 -11.792 -12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.667 -10.089 -11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.219 -11.120 -11.903 1.00 0.00 H new ATOM 501 N VAL A 37 -13.355 -13.071 -7.230 1.00 0.00 N ATOM 502 CA VAL A 37 -12.353 -14.170 -7.366 1.00 0.00 C ATOM 503 C VAL A 37 -13.049 -15.520 -7.191 1.00 0.00 C ATOM 504 O VAL A 37 -14.259 -15.596 -7.089 1.00 0.00 O ATOM 505 CB VAL A 37 -11.272 -14.011 -6.294 1.00 0.00 C ATOM 506 CG1 VAL A 37 -10.458 -12.747 -6.571 1.00 0.00 C ATOM 507 CG2 VAL A 37 -11.929 -13.904 -4.916 1.00 0.00 C ATOM 0 H VAL A 37 -13.730 -12.943 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.895 -14.123 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.612 -14.878 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.689 -12.635 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.987 -12.825 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.117 -11.879 -6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.158 -13.791 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.591 -13.038 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.506 -14.807 -4.717 1.00 0.00 H new ATOM 517 N GLY A 38 -12.290 -16.586 -7.155 1.00 0.00 N ATOM 518 CA GLY A 38 -12.897 -17.939 -6.986 1.00 0.00 C ATOM 519 C GLY A 38 -13.429 -18.088 -5.560 1.00 0.00 C ATOM 520 O GLY A 38 -12.758 -17.753 -4.601 1.00 0.00 O ATOM 0 H GLY A 38 -11.273 -16.576 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.706 -18.078 -7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.154 -18.710 -7.190 1.00 0.00 H new ATOM 524 N GLY A 39 -14.629 -18.588 -5.415 1.00 0.00 N ATOM 525 CA GLY A 39 -15.215 -18.763 -4.053 1.00 0.00 C ATOM 526 C GLY A 39 -15.271 -20.252 -3.708 1.00 0.00 C ATOM 527 O GLY A 39 -14.320 -20.982 -3.915 1.00 0.00 O ATOM 0 H GLY A 39 -15.230 -18.884 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.614 -18.231 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.216 -18.333 -4.018 1.00 0.00 H new ATOM 531 N ILE A 40 -16.380 -20.706 -3.180 1.00 0.00 N ATOM 532 CA ILE A 40 -16.509 -22.148 -2.817 1.00 0.00 C ATOM 533 C ILE A 40 -17.663 -22.772 -3.604 1.00 0.00 C ATOM 534 O ILE A 40 -18.343 -23.660 -3.125 1.00 0.00 O ATOM 535 CB ILE A 40 -16.785 -22.274 -1.315 1.00 0.00 C ATOM 536 CG1 ILE A 40 -15.733 -21.481 -0.520 1.00 0.00 C ATOM 537 CG2 ILE A 40 -16.739 -23.749 -0.904 1.00 0.00 C ATOM 538 CD1 ILE A 40 -14.323 -22.015 -0.812 1.00 0.00 C ATOM 0 H ILE A 40 -17.204 -20.137 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 40 -15.582 -22.668 -3.060 1.00 0.00 H new ATOM 0 HB ILE A 40 -17.774 -21.870 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.790 -20.425 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -15.943 -21.555 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -16.936 -23.835 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -17.495 -24.305 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -15.753 -24.158 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.592 -21.443 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.265 -23.065 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.110 -21.917 -1.876 1.00 0.00 H new ATOM 550 N LEU A 41 -17.886 -22.312 -4.809 1.00 0.00 N ATOM 551 CA LEU A 41 -18.993 -22.872 -5.638 1.00 0.00 C ATOM 552 C LEU A 41 -18.404 -23.655 -6.813 1.00 0.00 C ATOM 553 O LEU A 41 -17.528 -23.176 -7.509 1.00 0.00 O ATOM 554 CB LEU A 41 -19.862 -21.730 -6.169 1.00 0.00 C ATOM 555 CG LEU A 41 -20.527 -21.006 -4.998 1.00 0.00 C ATOM 556 CD1 LEU A 41 -21.003 -19.625 -5.453 1.00 0.00 C ATOM 557 CD2 LEU A 41 -21.726 -21.822 -4.511 1.00 0.00 C ATOM 0 H LEU A 41 -17.346 -21.570 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 41 -19.603 -23.538 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.252 -21.032 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.621 -22.121 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.808 -20.892 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -21.477 -19.110 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.150 -19.043 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -21.722 -19.737 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -22.201 -21.307 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -22.444 -21.935 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -21.388 -22.806 -4.186 1.00 0.00 H new ATOM 569 N GLY A 42 -18.877 -24.854 -7.035 1.00 0.00 N ATOM 570 CA GLY A 42 -18.350 -25.678 -8.163 1.00 0.00 C ATOM 571 C GLY A 42 -18.670 -24.990 -9.491 1.00 0.00 C ATOM 572 O GLY A 42 -18.083 -23.980 -9.832 1.00 0.00 O ATOM 0 H GLY A 42 -19.609 -25.299 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -17.273 -25.809 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -18.796 -26.673 -8.140 1.00 0.00 H new ATOM 576 N GLY A 43 -19.594 -25.533 -10.241 1.00 0.00 N ATOM 577 CA GLY A 43 -19.959 -24.918 -11.552 1.00 0.00 C ATOM 578 C GLY A 43 -20.595 -25.977 -12.454 1.00 0.00 C ATOM 579 O GLY A 43 -19.920 -26.846 -12.975 1.00 0.00 O ATOM 0 H GLY A 43 -20.113 -26.378 -10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -20.654 -24.092 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -19.072 -24.503 -12.030 1.00 0.00 H new ATOM 583 N ILE A 44 -21.889 -25.910 -12.639 1.00 0.00 N ATOM 584 CA ILE A 44 -22.579 -26.910 -13.506 1.00 0.00 C ATOM 585 C ILE A 44 -23.026 -26.235 -14.804 1.00 0.00 C ATOM 586 O ILE A 44 -23.090 -26.861 -15.847 1.00 0.00 O ATOM 587 CB ILE A 44 -23.804 -27.464 -12.770 1.00 0.00 C ATOM 588 CG1 ILE A 44 -23.387 -27.986 -11.384 1.00 0.00 C ATOM 589 CG2 ILE A 44 -24.426 -28.599 -13.589 1.00 0.00 C ATOM 590 CD1 ILE A 44 -22.353 -29.111 -11.525 1.00 0.00 C ATOM 0 H ILE A 44 -22.498 -25.204 -12.226 1.00 0.00 H new ATOM 0 HA ILE A 44 -21.894 -27.726 -13.737 1.00 0.00 H new ATOM 0 HB ILE A 44 -24.539 -26.669 -12.644 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -22.969 -27.172 -10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -24.262 -28.353 -10.848 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -25.297 -28.992 -13.064 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -24.731 -28.219 -14.564 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -23.694 -29.395 -13.723 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -22.068 -29.469 -10.536 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.784 -29.932 -12.098 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -21.471 -28.732 -12.041 1.00 0.00 H new ATOM 602 N LEU A 45 -23.334 -24.965 -14.747 1.00 0.00 N ATOM 603 CA LEU A 45 -23.777 -24.240 -15.974 1.00 0.00 C ATOM 604 C LEU A 45 -22.995 -22.932 -16.103 1.00 0.00 C ATOM 605 O LEU A 45 -21.976 -22.806 -15.445 1.00 0.00 O ATOM 606 CB LEU A 45 -25.274 -23.932 -15.873 1.00 0.00 C ATOM 607 CG LEU A 45 -26.062 -25.241 -15.827 1.00 0.00 C ATOM 608 CD1 LEU A 45 -27.338 -25.040 -15.008 1.00 0.00 C ATOM 609 CD2 LEU A 45 -26.432 -25.663 -17.251 1.00 0.00 C ATOM 610 OXT LEU A 45 -23.428 -22.078 -16.860 1.00 0.00 O ATOM 0 H LEU A 45 -23.297 -24.397 -13.900 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.593 -24.862 -16.850 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -25.475 -23.342 -14.979 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.591 -23.334 -16.727 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.452 -26.016 -15.364 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.900 -25.973 -14.975 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -27.076 -24.738 -13.994 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.949 -24.265 -15.471 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.994 -26.596 -17.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.042 -24.887 -17.713 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.523 -25.806 -17.836 1.00 0.00 H new TER 622 LEU A 45