USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 TYR OH : rot -140:sc= 0.51 USER MOD Set 2.2: A 23 GLN : amide:sc= -1.3! C(o=-0.79!,f=-14!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot -23:sc= 1.88 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -18:sc= -2.41! USER MOD Single : A 57 ASN :FLIP amide:sc= -0.143 F(o=-0.77,f=-0.14) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.658 F(o=-1.2,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.296 5.910 -7.098 1.00 0.00 N ATOM 60 CA GLY A 7 -5.572 4.962 -6.269 1.00 0.00 C ATOM 61 C GLY A 7 -4.809 5.679 -5.154 1.00 0.00 C ATOM 62 O GLY A 7 -4.791 6.908 -5.100 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.270 4.246 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.875 4.394 -6.885 1.00 0.00 H new ATOM 66 N GLU A 8 -4.197 4.881 -4.291 1.00 0.00 N ATOM 67 CA GLU A 8 -3.434 5.424 -3.180 1.00 0.00 C ATOM 68 C GLU A 8 -1.996 4.905 -3.220 1.00 0.00 C ATOM 69 O GLU A 8 -1.745 3.738 -2.921 1.00 0.00 O ATOM 70 CB GLU A 8 -4.101 5.093 -1.844 1.00 0.00 C ATOM 71 CG GLU A 8 -4.782 6.327 -1.250 1.00 0.00 C ATOM 72 CD GLU A 8 -6.199 5.996 -0.774 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.007 5.592 -1.638 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.441 6.155 0.442 1.00 0.00 O ATOM 0 H GLU A 8 -4.214 3.862 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.410 6.509 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.836 4.301 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.355 4.713 -1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.193 6.705 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.821 7.120 -1.997 1.00 0.00 H new ATOM 81 N GLU A 9 -1.088 5.797 -3.590 1.00 0.00 N ATOM 82 CA GLU A 9 0.319 5.443 -3.672 1.00 0.00 C ATOM 83 C GLU A 9 0.907 5.278 -2.269 1.00 0.00 C ATOM 84 O GLU A 9 0.862 6.204 -1.460 1.00 0.00 O ATOM 85 CB GLU A 9 1.100 6.484 -4.475 1.00 0.00 C ATOM 86 CG GLU A 9 1.895 5.823 -5.603 1.00 0.00 C ATOM 87 CD GLU A 9 1.886 6.691 -6.863 1.00 0.00 C ATOM 88 OE1 GLU A 9 0.769 6.990 -7.338 1.00 0.00 O ATOM 89 OE2 GLU A 9 2.996 7.037 -7.322 1.00 0.00 O ATOM 0 H GLU A 9 -1.300 6.764 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 9 0.404 4.490 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.411 7.218 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.779 7.024 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.922 5.657 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.469 4.845 -5.828 1.00 0.00 H new ATOM 96 N PHE A 10 1.446 4.093 -2.023 1.00 0.00 N ATOM 97 CA PHE A 10 2.043 3.795 -0.732 1.00 0.00 C ATOM 98 C PHE A 10 3.456 3.234 -0.898 1.00 0.00 C ATOM 99 O PHE A 10 3.875 2.915 -2.010 1.00 0.00 O ATOM 100 CB PHE A 10 1.161 2.737 -0.065 1.00 0.00 C ATOM 101 CG PHE A 10 0.044 3.317 0.805 1.00 0.00 C ATOM 102 CD1 PHE A 10 -0.883 4.148 0.257 1.00 0.00 C ATOM 103 CD2 PHE A 10 -0.023 3.001 2.126 1.00 0.00 C ATOM 104 CE1 PHE A 10 -1.920 4.686 1.064 1.00 0.00 C ATOM 105 CE2 PHE A 10 -1.060 3.538 2.933 1.00 0.00 C ATOM 106 CZ PHE A 10 -1.987 4.370 2.385 1.00 0.00 C ATOM 0 H PHE A 10 1.482 3.327 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 10 2.110 4.704 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.717 2.109 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.788 2.091 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.830 4.399 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.713 2.341 2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.656 5.346 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.113 3.286 3.982 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.776 4.779 2.999 1.00 0.00 H new ATOM 116 N VAL A 11 4.152 3.130 0.224 1.00 0.00 N ATOM 117 CA VAL A 11 5.510 2.612 0.217 1.00 0.00 C ATOM 118 C VAL A 11 5.622 1.473 1.233 1.00 0.00 C ATOM 119 O VAL A 11 5.097 1.570 2.341 1.00 0.00 O ATOM 120 CB VAL A 11 6.504 3.746 0.479 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.723 3.239 1.252 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.925 4.418 -0.829 1.00 0.00 C ATOM 0 H VAL A 11 3.801 3.395 1.144 1.00 0.00 H new ATOM 0 HA VAL A 11 5.757 2.201 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 11 6.005 4.494 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.413 4.065 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.402 2.828 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.224 2.463 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.631 5.220 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.397 3.683 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.047 4.831 -1.325 1.00 0.00 H new ATOM 132 N ALA A 12 6.310 0.419 0.818 1.00 0.00 N ATOM 133 CA ALA A 12 6.497 -0.738 1.677 1.00 0.00 C ATOM 134 C ALA A 12 7.462 -0.376 2.809 1.00 0.00 C ATOM 135 O ALA A 12 8.617 -0.036 2.560 1.00 0.00 O ATOM 136 CB ALA A 12 6.996 -1.919 0.842 1.00 0.00 C ATOM 0 H ALA A 12 6.745 0.342 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 12 5.552 -1.036 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.136 -2.787 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.263 -2.155 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.945 -1.658 0.373 1.00 0.00 H new ATOM 142 N ILE A 13 6.951 -0.461 4.028 1.00 0.00 N ATOM 143 CA ILE A 13 7.752 -0.147 5.199 1.00 0.00 C ATOM 144 C ILE A 13 8.793 -1.248 5.410 1.00 0.00 C ATOM 145 O ILE A 13 9.725 -1.084 6.196 1.00 0.00 O ATOM 146 CB ILE A 13 6.855 0.093 6.415 1.00 0.00 C ATOM 147 CG1 ILE A 13 5.879 -1.069 6.612 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.132 1.437 6.307 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.682 -1.373 8.099 1.00 0.00 C ATOM 0 H ILE A 13 5.992 -0.743 4.230 1.00 0.00 H new ATOM 0 HA ILE A 13 8.298 0.784 5.047 1.00 0.00 H new ATOM 0 HB ILE A 13 7.486 0.138 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.919 -0.824 6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.256 -1.956 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.501 1.582 7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.866 2.241 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.513 1.446 5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.984 -2.203 8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.639 -1.641 8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.282 -0.492 8.601 1.00 0.00 H new ATOM 161 N ALA A 14 8.598 -2.347 4.695 1.00 0.00 N ATOM 162 CA ALA A 14 9.508 -3.475 4.794 1.00 0.00 C ATOM 163 C ALA A 14 9.189 -4.481 3.686 1.00 0.00 C ATOM 164 O ALA A 14 8.030 -4.652 3.314 1.00 0.00 O ATOM 165 CB ALA A 14 9.405 -4.093 6.190 1.00 0.00 C ATOM 0 H ALA A 14 7.823 -2.480 4.045 1.00 0.00 H new ATOM 0 HA ALA A 14 10.539 -3.149 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.088 -4.939 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.670 -3.346 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.384 -4.434 6.363 1.00 0.00 H new ATOM 171 N ASP A 15 10.239 -5.120 3.191 1.00 0.00 N ATOM 172 CA ASP A 15 10.085 -6.104 2.133 1.00 0.00 C ATOM 173 C ASP A 15 9.090 -7.176 2.581 1.00 0.00 C ATOM 174 O ASP A 15 9.086 -7.578 3.743 1.00 0.00 O ATOM 175 CB ASP A 15 11.416 -6.794 1.825 1.00 0.00 C ATOM 176 CG ASP A 15 11.852 -7.845 2.847 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.485 -7.437 3.845 1.00 0.00 O ATOM 178 OD2 ASP A 15 11.542 -9.032 2.608 1.00 0.00 O ATOM 0 H ASP A 15 11.199 -4.976 3.503 1.00 0.00 H new ATOM 0 HA ASP A 15 9.731 -5.588 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.344 -7.269 0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.194 -6.034 1.754 1.00 0.00 H new ATOM 183 N TYR A 16 8.270 -7.609 1.635 1.00 0.00 N ATOM 184 CA TYR A 16 7.272 -8.627 1.917 1.00 0.00 C ATOM 185 C TYR A 16 7.332 -9.755 0.885 1.00 0.00 C ATOM 186 O TYR A 16 7.839 -9.565 -0.219 1.00 0.00 O ATOM 187 CB TYR A 16 5.915 -7.928 1.812 1.00 0.00 C ATOM 188 CG TYR A 16 4.719 -8.882 1.843 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.463 -9.630 2.974 1.00 0.00 C ATOM 190 CD2 TYR A 16 3.897 -8.994 0.740 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.337 -10.528 3.003 1.00 0.00 C ATOM 192 CE2 TYR A 16 2.772 -9.892 0.769 1.00 0.00 C ATOM 193 CZ TYR A 16 2.548 -10.615 1.899 1.00 0.00 C ATOM 194 OH TYR A 16 1.485 -11.463 1.927 1.00 0.00 O ATOM 0 H TYR A 16 8.276 -7.273 0.672 1.00 0.00 H new ATOM 0 HA TYR A 16 7.441 -9.068 2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.820 -7.216 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.884 -7.354 0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.106 -9.542 3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.098 -8.408 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.124 -11.119 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.121 -9.989 -0.087 1.00 0.00 H new ATOM 0 HH TYR A 16 1.406 -11.918 1.062 1.00 0.00 H new ATOM 204 N ALA A 17 6.807 -10.905 1.282 1.00 0.00 N ATOM 205 CA ALA A 17 6.795 -12.064 0.405 1.00 0.00 C ATOM 206 C ALA A 17 5.396 -12.683 0.405 1.00 0.00 C ATOM 207 O ALA A 17 4.937 -13.190 1.427 1.00 0.00 O ATOM 208 CB ALA A 17 7.871 -13.055 0.854 1.00 0.00 C ATOM 0 H ALA A 17 6.387 -11.059 2.199 1.00 0.00 H new ATOM 0 HA ALA A 17 7.027 -11.773 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.862 -13.924 0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.849 -12.576 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.669 -13.372 1.877 1.00 0.00 H new ATOM 214 N ALA A 18 4.756 -12.621 -0.754 1.00 0.00 N ATOM 215 CA ALA A 18 3.419 -13.170 -0.901 1.00 0.00 C ATOM 216 C ALA A 18 3.418 -14.629 -0.443 1.00 0.00 C ATOM 217 O ALA A 18 4.229 -15.430 -0.906 1.00 0.00 O ATOM 218 CB ALA A 18 2.959 -13.013 -2.352 1.00 0.00 C ATOM 0 H ALA A 18 5.139 -12.199 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 18 2.711 -12.628 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.956 -13.425 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.948 -11.956 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.645 -13.546 -3.011 1.00 0.00 H new ATOM 224 N THR A 19 2.497 -14.932 0.460 1.00 0.00 N ATOM 225 CA THR A 19 2.380 -16.282 0.986 1.00 0.00 C ATOM 226 C THR A 19 1.554 -17.153 0.038 1.00 0.00 C ATOM 227 O THR A 19 1.624 -18.380 0.096 1.00 0.00 O ATOM 228 CB THR A 19 1.791 -16.191 2.395 1.00 0.00 C ATOM 229 OG1 THR A 19 2.917 -16.354 3.253 1.00 0.00 O ATOM 230 CG2 THR A 19 0.891 -17.381 2.732 1.00 0.00 C ATOM 0 H THR A 19 1.825 -14.266 0.841 1.00 0.00 H new ATOM 0 HA THR A 19 3.355 -16.765 1.056 1.00 0.00 H new ATOM 0 HB THR A 19 1.221 -15.267 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.626 -16.307 4.188 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.499 -17.266 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.063 -17.423 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.469 -18.303 2.669 1.00 0.00 H new ATOM 238 N ASP A 20 0.790 -16.485 -0.814 1.00 0.00 N ATOM 239 CA ASP A 20 -0.048 -17.183 -1.774 1.00 0.00 C ATOM 240 C ASP A 20 0.241 -16.652 -3.179 1.00 0.00 C ATOM 241 O ASP A 20 1.062 -15.751 -3.349 1.00 0.00 O ATOM 242 CB ASP A 20 -1.532 -16.955 -1.478 1.00 0.00 C ATOM 243 CG ASP A 20 -2.103 -17.805 -0.342 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.898 -17.406 0.824 1.00 0.00 O ATOM 245 OD2 ASP A 20 -2.732 -18.836 -0.666 1.00 0.00 O ATOM 0 H ASP A 20 0.734 -15.468 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 20 0.174 -18.248 -1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.681 -15.903 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.103 -17.156 -2.384 1.00 0.00 H new ATOM 250 N GLU A 21 -0.449 -17.231 -4.150 1.00 0.00 N ATOM 251 CA GLU A 21 -0.277 -16.827 -5.535 1.00 0.00 C ATOM 252 C GLU A 21 -1.293 -15.743 -5.902 1.00 0.00 C ATOM 253 O GLU A 21 -1.514 -15.468 -7.081 1.00 0.00 O ATOM 254 CB GLU A 21 -0.393 -18.028 -6.476 1.00 0.00 C ATOM 255 CG GLU A 21 -1.839 -18.522 -6.558 1.00 0.00 C ATOM 256 CD GLU A 21 -1.890 -20.034 -6.784 1.00 0.00 C ATOM 257 OE1 GLU A 21 -0.972 -20.715 -6.277 1.00 0.00 O ATOM 258 OE2 GLU A 21 -2.845 -20.476 -7.458 1.00 0.00 O ATOM 0 H GLU A 21 -1.129 -17.977 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 21 0.725 -16.413 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.043 -17.751 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.251 -18.834 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.366 -18.270 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.356 -18.012 -7.371 1.00 0.00 H new ATOM 265 N THR A 22 -1.883 -15.156 -4.871 1.00 0.00 N ATOM 266 CA THR A 22 -2.870 -14.109 -5.070 1.00 0.00 C ATOM 267 C THR A 22 -2.432 -12.823 -4.366 1.00 0.00 C ATOM 268 O THR A 22 -3.211 -11.878 -4.251 1.00 0.00 O ATOM 269 CB THR A 22 -4.223 -14.636 -4.587 1.00 0.00 C ATOM 270 OG1 THR A 22 -4.036 -14.843 -3.190 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.536 -16.031 -5.132 1.00 0.00 C ATOM 0 H THR A 22 -1.696 -15.386 -3.895 1.00 0.00 H new ATOM 0 HA THR A 22 -2.964 -13.849 -6.124 1.00 0.00 H new ATOM 0 HB THR A 22 -5.010 -13.944 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.866 -15.183 -2.796 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.507 -16.358 -4.759 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.558 -16.000 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.767 -16.731 -4.804 1.00 0.00 H new ATOM 279 N GLN A 23 -1.187 -12.829 -3.913 1.00 0.00 N ATOM 280 CA GLN A 23 -0.636 -11.675 -3.223 1.00 0.00 C ATOM 281 C GLN A 23 0.455 -11.019 -4.073 1.00 0.00 C ATOM 282 O GLN A 23 0.997 -11.644 -4.983 1.00 0.00 O ATOM 283 CB GLN A 23 -0.098 -12.065 -1.845 1.00 0.00 C ATOM 284 CG GLN A 23 -1.242 -12.302 -0.857 1.00 0.00 C ATOM 285 CD GLN A 23 -0.749 -13.054 0.381 1.00 0.00 C ATOM 286 OE1 GLN A 23 0.438 -13.187 0.626 1.00 0.00 O ATOM 287 NE2 GLN A 23 -1.725 -13.535 1.146 1.00 0.00 N ATOM 0 H GLN A 23 -0.544 -13.615 -4.010 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.436 -10.950 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.508 -12.967 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.555 -11.277 -1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.674 -11.347 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.034 -12.872 -1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.699 -13.388 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.499 -14.051 1.996 1.00 0.00 H new ATOM 296 N LEU A 24 0.744 -9.768 -3.745 1.00 0.00 N ATOM 297 CA LEU A 24 1.760 -9.022 -4.466 1.00 0.00 C ATOM 298 C LEU A 24 3.024 -8.929 -3.608 1.00 0.00 C ATOM 299 O LEU A 24 2.941 -8.780 -2.390 1.00 0.00 O ATOM 300 CB LEU A 24 1.215 -7.662 -4.907 1.00 0.00 C ATOM 301 CG LEU A 24 0.172 -7.689 -6.027 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.175 -6.271 -6.486 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.637 -8.570 -7.188 1.00 0.00 C ATOM 0 H LEU A 24 0.292 -9.253 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 24 2.035 -9.542 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.775 -7.170 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.053 -7.045 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.742 -8.133 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.918 -6.318 -7.282 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.578 -5.705 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.724 -5.779 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.122 -8.572 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.571 -8.179 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.794 -9.588 -6.832 1.00 0.00 H new ATOM 315 N SER A 25 4.163 -9.020 -4.278 1.00 0.00 N ATOM 316 CA SER A 25 5.442 -8.948 -3.592 1.00 0.00 C ATOM 317 C SER A 25 6.198 -7.690 -4.024 1.00 0.00 C ATOM 318 O SER A 25 6.276 -7.387 -5.214 1.00 0.00 O ATOM 319 CB SER A 25 6.286 -10.195 -3.866 1.00 0.00 C ATOM 320 OG SER A 25 6.330 -10.514 -5.254 1.00 0.00 O ATOM 0 H SER A 25 4.227 -9.143 -5.289 1.00 0.00 H new ATOM 0 HA SER A 25 5.252 -8.900 -2.520 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.300 -10.035 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.876 -11.040 -3.312 1.00 0.00 H new ATOM 0 HG SER A 25 6.879 -11.314 -5.388 1.00 0.00 H new ATOM 326 N PHE A 26 6.735 -6.992 -3.035 1.00 0.00 N ATOM 327 CA PHE A 26 7.482 -5.773 -3.299 1.00 0.00 C ATOM 328 C PHE A 26 8.657 -5.630 -2.329 1.00 0.00 C ATOM 329 O PHE A 26 8.877 -6.495 -1.482 1.00 0.00 O ATOM 330 CB PHE A 26 6.518 -4.604 -3.090 1.00 0.00 C ATOM 331 CG PHE A 26 5.525 -4.813 -1.945 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.925 -4.638 -0.657 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.242 -5.174 -2.215 1.00 0.00 C ATOM 334 CE1 PHE A 26 5.004 -4.832 0.406 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.320 -5.367 -1.152 1.00 0.00 C ATOM 336 CZ PHE A 26 3.720 -5.192 0.136 1.00 0.00 C ATOM 0 H PHE A 26 6.668 -7.247 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 26 7.883 -5.793 -4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.096 -3.700 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.963 -4.435 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.944 -4.351 -0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.924 -5.314 -3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.323 -4.694 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.301 -5.653 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.019 -5.339 0.944 1.00 0.00 H new ATOM 346 N LEU A 27 9.381 -4.531 -2.485 1.00 0.00 N ATOM 347 CA LEU A 27 10.528 -4.263 -1.634 1.00 0.00 C ATOM 348 C LEU A 27 10.346 -2.905 -0.953 1.00 0.00 C ATOM 349 O LEU A 27 9.808 -1.974 -1.551 1.00 0.00 O ATOM 350 CB LEU A 27 11.827 -4.382 -2.433 1.00 0.00 C ATOM 351 CG LEU A 27 12.844 -3.257 -2.229 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.564 -3.405 -0.887 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.825 -3.186 -3.401 1.00 0.00 C ATOM 0 H LEU A 27 9.195 -3.816 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 27 10.599 -5.009 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.304 -5.328 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.576 -4.430 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 27 12.305 -2.310 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.281 -2.593 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.835 -3.368 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.089 -4.360 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.537 -2.378 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.362 -4.131 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.276 -2.998 -4.324 1.00 0.00 H new ATOM 365 N ARG A 28 10.804 -2.835 0.288 1.00 0.00 N ATOM 366 CA ARG A 28 10.698 -1.607 1.057 1.00 0.00 C ATOM 367 C ARG A 28 11.042 -0.401 0.180 1.00 0.00 C ATOM 368 O ARG A 28 12.178 -0.258 -0.269 1.00 0.00 O ATOM 369 CB ARG A 28 11.635 -1.632 2.266 1.00 0.00 C ATOM 370 CG ARG A 28 11.576 -0.309 3.032 1.00 0.00 C ATOM 371 CD ARG A 28 12.668 -0.246 4.103 1.00 0.00 C ATOM 372 NE ARG A 28 13.317 1.084 4.087 1.00 0.00 N ATOM 373 CZ ARG A 28 14.489 1.355 4.676 1.00 0.00 C ATOM 374 NH1 ARG A 28 15.149 0.390 5.331 1.00 0.00 N ATOM 375 NH2 ARG A 28 15.003 2.591 4.610 1.00 0.00 N ATOM 0 H ARG A 28 11.250 -3.609 0.780 1.00 0.00 H new ATOM 0 HA ARG A 28 9.670 -1.524 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.358 -2.452 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.656 -1.820 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.694 0.523 2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.597 -0.198 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.237 -0.437 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.410 -1.024 3.924 1.00 0.00 H new ATOM 0 HE ARG A 28 12.842 1.842 3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.759 -0.551 5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.042 0.597 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.502 3.326 4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.896 2.797 5.059 1.00 0.00 H new ATOM 389 N GLY A 29 10.038 0.436 -0.039 1.00 0.00 N ATOM 390 CA GLY A 29 10.219 1.625 -0.854 1.00 0.00 C ATOM 391 C GLY A 29 9.349 1.566 -2.111 1.00 0.00 C ATOM 392 O GLY A 29 8.889 2.596 -2.601 1.00 0.00 O ATOM 0 H GLY A 29 9.097 0.314 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.964 2.511 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.267 1.720 -1.137 1.00 0.00 H new ATOM 396 N GLU A 30 9.149 0.350 -2.597 1.00 0.00 N ATOM 397 CA GLU A 30 8.342 0.142 -3.787 1.00 0.00 C ATOM 398 C GLU A 30 7.014 0.893 -3.666 1.00 0.00 C ATOM 399 O GLU A 30 6.348 0.820 -2.635 1.00 0.00 O ATOM 400 CB GLU A 30 8.108 -1.348 -4.039 1.00 0.00 C ATOM 401 CG GLU A 30 9.046 -1.875 -5.127 1.00 0.00 C ATOM 402 CD GLU A 30 8.279 -2.166 -6.418 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.295 -2.933 -6.333 1.00 0.00 O ATOM 404 OE2 GLU A 30 8.693 -1.615 -7.461 1.00 0.00 O ATOM 0 H GLU A 30 9.532 -0.502 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 30 8.886 0.540 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.267 -1.906 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.072 -1.512 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.830 -1.143 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.538 -2.783 -4.779 1.00 0.00 H new ATOM 411 N LYS A 31 6.670 1.598 -4.733 1.00 0.00 N ATOM 412 CA LYS A 31 5.434 2.362 -4.759 1.00 0.00 C ATOM 413 C LYS A 31 4.257 1.411 -4.983 1.00 0.00 C ATOM 414 O LYS A 31 3.975 1.023 -6.116 1.00 0.00 O ATOM 415 CB LYS A 31 5.521 3.487 -5.792 1.00 0.00 C ATOM 416 CG LYS A 31 6.648 4.462 -5.447 1.00 0.00 C ATOM 417 CD LYS A 31 6.248 5.375 -4.286 1.00 0.00 C ATOM 418 CE LYS A 31 7.470 6.088 -3.703 1.00 0.00 C ATOM 419 NZ LYS A 31 7.348 7.553 -3.882 1.00 0.00 N ATOM 0 H LYS A 31 7.226 1.657 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 31 5.269 2.854 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.692 3.064 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.572 4.022 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.547 3.905 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.892 5.065 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.523 6.112 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.760 4.788 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.565 5.852 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.376 5.730 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.185 8.023 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.279 7.774 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.494 7.892 -3.395 1.00 0.00 H new ATOM 433 N ILE A 32 3.601 1.062 -3.886 1.00 0.00 N ATOM 434 CA ILE A 32 2.461 0.164 -3.949 1.00 0.00 C ATOM 435 C ILE A 32 1.178 0.985 -4.091 1.00 0.00 C ATOM 436 O ILE A 32 0.958 1.935 -3.341 1.00 0.00 O ATOM 437 CB ILE A 32 2.456 -0.781 -2.745 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.870 -1.274 -2.429 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.480 -1.939 -2.961 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.347 -2.279 -3.479 1.00 0.00 C ATOM 0 H ILE A 32 3.838 1.385 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 32 2.529 -0.477 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 32 2.107 -0.224 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.555 -0.427 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.885 -1.738 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.496 -2.595 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.473 -1.545 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.774 -2.503 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.354 -2.614 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.674 -3.136 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.354 -1.804 -4.460 1.00 0.00 H new ATOM 452 N LEU A 33 0.364 0.588 -5.059 1.00 0.00 N ATOM 453 CA LEU A 33 -0.891 1.275 -5.309 1.00 0.00 C ATOM 454 C LEU A 33 -2.009 0.589 -4.522 1.00 0.00 C ATOM 455 O LEU A 33 -2.190 -0.624 -4.622 1.00 0.00 O ATOM 456 CB LEU A 33 -1.163 1.364 -6.812 1.00 0.00 C ATOM 457 CG LEU A 33 -1.415 2.768 -7.366 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.741 3.331 -6.850 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.239 3.697 -7.060 1.00 0.00 C ATOM 0 H LEU A 33 0.550 -0.200 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.838 2.305 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.313 0.933 -7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.029 0.743 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.496 2.698 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.896 4.330 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.558 2.681 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.715 3.384 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.444 4.688 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.102 3.767 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.667 3.299 -7.516 1.00 0.00 H new ATOM 471 N ILE A 34 -2.731 1.394 -3.756 1.00 0.00 N ATOM 472 CA ILE A 34 -3.826 0.880 -2.952 1.00 0.00 C ATOM 473 C ILE A 34 -5.152 1.171 -3.658 1.00 0.00 C ATOM 474 O ILE A 34 -5.845 2.128 -3.314 1.00 0.00 O ATOM 475 CB ILE A 34 -3.752 1.435 -1.528 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.411 1.095 -0.876 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.937 0.951 -0.689 1.00 0.00 C ATOM 478 CD1 ILE A 34 -2.138 -0.409 -0.936 1.00 0.00 C ATOM 0 H ILE A 34 -2.578 2.399 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.749 -0.203 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.817 2.522 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.610 1.634 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.413 1.427 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.860 1.360 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.868 1.286 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.928 -0.138 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.178 -0.624 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.928 -0.944 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.113 -0.733 -1.976 1.00 0.00 H new ATOM 490 N LEU A 35 -5.465 0.329 -4.631 1.00 0.00 N ATOM 491 CA LEU A 35 -6.696 0.485 -5.388 1.00 0.00 C ATOM 492 C LEU A 35 -7.862 0.690 -4.420 1.00 0.00 C ATOM 493 O LEU A 35 -8.454 1.768 -4.375 1.00 0.00 O ATOM 494 CB LEU A 35 -6.890 -0.695 -6.343 1.00 0.00 C ATOM 495 CG LEU A 35 -6.176 -0.590 -7.693 1.00 0.00 C ATOM 496 CD1 LEU A 35 -4.752 -0.058 -7.520 1.00 0.00 C ATOM 497 CD2 LEU A 35 -6.202 -1.928 -8.433 1.00 0.00 C ATOM 0 H LEU A 35 -4.888 -0.463 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.646 1.372 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.548 -1.601 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.957 -0.816 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.716 0.129 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.267 0.007 -8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.786 0.932 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.187 -0.733 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.688 -1.825 -9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.701 -2.686 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.235 -2.227 -8.607 1.00 0.00 H new ATOM 509 N ARG A 36 -8.159 -0.360 -3.669 1.00 0.00 N ATOM 510 CA ARG A 36 -9.244 -0.309 -2.705 1.00 0.00 C ATOM 511 C ARG A 36 -8.822 -0.976 -1.394 1.00 0.00 C ATOM 512 O ARG A 36 -7.736 -1.546 -1.306 1.00 0.00 O ATOM 513 CB ARG A 36 -10.494 -1.007 -3.244 1.00 0.00 C ATOM 514 CG ARG A 36 -11.052 -0.268 -4.463 1.00 0.00 C ATOM 515 CD ARG A 36 -12.290 0.550 -4.090 1.00 0.00 C ATOM 516 NE ARG A 36 -13.511 -0.259 -4.294 1.00 0.00 N ATOM 517 CZ ARG A 36 -14.675 -0.034 -3.669 1.00 0.00 C ATOM 518 NH1 ARG A 36 -14.782 0.977 -2.796 1.00 0.00 N ATOM 519 NH2 ARG A 36 -15.732 -0.820 -3.917 1.00 0.00 N ATOM 0 H ARG A 36 -7.666 -1.252 -3.709 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.477 0.740 -2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.252 -2.034 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.254 -1.054 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.287 0.391 -4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.308 -0.986 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.225 0.870 -3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.336 1.453 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.464 -1.037 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.978 1.575 -2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.668 1.148 -2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.651 -1.590 -4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.618 -0.649 -3.441 1.00 0.00 H new ATOM 533 N GLN A 37 -9.703 -0.881 -0.409 1.00 0.00 N ATOM 534 CA GLN A 37 -9.435 -1.468 0.893 1.00 0.00 C ATOM 535 C GLN A 37 -10.605 -2.352 1.328 1.00 0.00 C ATOM 536 O GLN A 37 -11.290 -2.047 2.303 1.00 0.00 O ATOM 537 CB GLN A 37 -9.149 -0.385 1.935 1.00 0.00 C ATOM 538 CG GLN A 37 -7.986 0.506 1.495 1.00 0.00 C ATOM 539 CD GLN A 37 -8.128 1.917 2.070 1.00 0.00 C ATOM 540 OE1 GLN A 37 -8.514 2.856 1.393 1.00 0.00 O ATOM 541 NE2 GLN A 37 -7.795 2.013 3.354 1.00 0.00 N ATOM 0 H GLN A 37 -10.603 -0.407 -0.486 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.545 -2.092 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.041 0.223 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.914 -0.850 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.043 0.069 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.952 0.555 0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.479 1.187 3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.855 2.913 3.831 1.00 0.00 H new ATOM 550 N THR A 38 -10.799 -3.431 0.583 1.00 0.00 N ATOM 551 CA THR A 38 -11.875 -4.361 0.880 1.00 0.00 C ATOM 552 C THR A 38 -12.031 -4.532 2.392 1.00 0.00 C ATOM 553 O THR A 38 -13.149 -4.605 2.900 1.00 0.00 O ATOM 554 CB THR A 38 -11.582 -5.672 0.148 1.00 0.00 C ATOM 555 OG1 THR A 38 -11.781 -5.355 -1.227 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.628 -6.751 0.436 1.00 0.00 C ATOM 0 H THR A 38 -10.229 -3.681 -0.225 1.00 0.00 H new ATOM 0 HA THR A 38 -12.834 -3.981 0.527 1.00 0.00 H new ATOM 0 HB THR A 38 -10.596 -6.036 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.610 -6.150 -1.774 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.372 -7.660 -0.108 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.649 -6.962 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.609 -6.401 0.116 1.00 0.00 H new ATOM 564 N THR A 39 -10.894 -4.591 3.069 1.00 0.00 N ATOM 565 CA THR A 39 -10.891 -4.751 4.513 1.00 0.00 C ATOM 566 C THR A 39 -9.812 -3.869 5.145 1.00 0.00 C ATOM 567 O THR A 39 -9.116 -3.136 4.445 1.00 0.00 O ATOM 568 CB THR A 39 -10.717 -6.239 4.823 1.00 0.00 C ATOM 569 OG1 THR A 39 -9.400 -6.537 4.371 1.00 0.00 O ATOM 570 CG2 THR A 39 -11.617 -7.126 3.960 1.00 0.00 C ATOM 0 H THR A 39 -9.969 -4.531 2.644 1.00 0.00 H new ATOM 0 HA THR A 39 -11.834 -4.421 4.950 1.00 0.00 H new ATOM 0 HB THR A 39 -10.934 -6.417 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.132 -5.884 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.454 -8.172 4.220 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.661 -6.866 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.378 -6.972 2.908 1.00 0.00 H new ATOM 578 N ALA A 40 -9.708 -3.970 6.462 1.00 0.00 N ATOM 579 CA ALA A 40 -8.725 -3.190 7.197 1.00 0.00 C ATOM 580 C ALA A 40 -7.500 -4.061 7.482 1.00 0.00 C ATOM 581 O ALA A 40 -6.579 -3.634 8.177 1.00 0.00 O ATOM 582 CB ALA A 40 -9.362 -2.641 8.475 1.00 0.00 C ATOM 0 H ALA A 40 -10.287 -4.579 7.039 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.392 -2.336 6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.626 -2.056 9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.209 -2.006 8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.706 -3.469 9.095 1.00 0.00 H new ATOM 588 N ASP A 41 -7.529 -5.266 6.932 1.00 0.00 N ATOM 589 CA ASP A 41 -6.432 -6.200 7.119 1.00 0.00 C ATOM 590 C ASP A 41 -5.808 -6.526 5.760 1.00 0.00 C ATOM 591 O ASP A 41 -4.587 -6.626 5.642 1.00 0.00 O ATOM 592 CB ASP A 41 -6.923 -7.509 7.740 1.00 0.00 C ATOM 593 CG ASP A 41 -7.138 -7.466 9.254 1.00 0.00 C ATOM 594 OD1 ASP A 41 -6.117 -7.519 9.974 1.00 0.00 O ATOM 595 OD2 ASP A 41 -8.317 -7.381 9.658 1.00 0.00 O ATOM 0 H ASP A 41 -8.295 -5.617 6.357 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.704 -5.736 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.862 -7.790 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.202 -8.294 7.513 1.00 0.00 H new ATOM 600 N TRP A 42 -6.673 -6.682 4.770 1.00 0.00 N ATOM 601 CA TRP A 42 -6.222 -6.995 3.424 1.00 0.00 C ATOM 602 C TRP A 42 -6.691 -5.872 2.496 1.00 0.00 C ATOM 603 O TRP A 42 -7.875 -5.541 2.466 1.00 0.00 O ATOM 604 CB TRP A 42 -6.715 -8.376 2.988 1.00 0.00 C ATOM 605 CG TRP A 42 -6.101 -9.534 3.777 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.556 -10.096 4.906 1.00 0.00 C ATOM 607 CD2 TRP A 42 -4.893 -10.253 3.450 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.733 -11.120 5.328 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.690 -11.219 4.414 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.002 -10.092 2.374 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.602 -12.099 4.400 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -2.920 -10.980 2.375 1.00 0.00 C ATOM 613 CH2 TRP A 42 -2.701 -11.958 3.338 1.00 0.00 C ATOM 0 H TRP A 42 -7.684 -6.598 4.872 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.134 -7.049 3.384 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.799 -8.413 3.093 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.492 -8.513 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.454 -9.786 5.420 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -5.865 -11.698 6.158 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.141 -9.343 1.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.465 -12.847 5.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.204 -10.899 1.570 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.840 -12.606 3.267 1.00 0.00 H new ATOM 624 N TRP A 43 -5.737 -5.318 1.762 1.00 0.00 N ATOM 625 CA TRP A 43 -6.037 -4.240 0.835 1.00 0.00 C ATOM 626 C TRP A 43 -5.867 -4.778 -0.587 1.00 0.00 C ATOM 627 O TRP A 43 -5.106 -5.718 -0.812 1.00 0.00 O ATOM 628 CB TRP A 43 -5.167 -3.015 1.119 1.00 0.00 C ATOM 629 CG TRP A 43 -5.446 -2.352 2.470 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.347 -2.711 3.394 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.780 -1.193 3.014 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.311 -1.873 4.490 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.327 -0.920 4.251 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.749 -0.402 2.478 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.908 0.146 5.056 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.341 0.660 3.295 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.882 0.948 4.542 1.00 0.00 C ATOM 0 H TRP A 43 -4.756 -5.595 1.790 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.066 -3.901 0.958 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.118 -3.310 1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.321 -2.282 0.327 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.018 -3.551 3.294 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.898 -1.940 5.322 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.306 -0.598 1.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.352 0.339 6.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.551 1.300 2.930 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.512 1.787 5.113 1.00 0.00 H new ATOM 648 N TRP A 44 -6.587 -4.158 -1.510 1.00 0.00 N ATOM 649 CA TRP A 44 -6.525 -4.562 -2.904 1.00 0.00 C ATOM 650 C TRP A 44 -5.598 -3.591 -3.637 1.00 0.00 C ATOM 651 O TRP A 44 -5.972 -2.449 -3.902 1.00 0.00 O ATOM 652 CB TRP A 44 -7.925 -4.630 -3.518 1.00 0.00 C ATOM 653 CG TRP A 44 -7.943 -5.095 -4.976 1.00 0.00 C ATOM 654 CD1 TRP A 44 -8.017 -4.341 -6.081 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.883 -6.459 -5.444 1.00 0.00 C ATOM 656 NE1 TRP A 44 -8.009 -5.116 -7.223 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.925 -6.445 -6.824 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.795 -7.664 -4.726 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.885 -7.606 -7.604 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.756 -8.817 -5.520 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.798 -8.819 -6.910 1.00 0.00 C ATOM 0 H TRP A 44 -7.217 -3.378 -1.320 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.118 -5.569 -2.996 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.539 -5.307 -2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.386 -3.644 -3.456 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.076 -3.263 -6.078 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.056 -4.776 -8.184 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.760 -7.698 -3.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.919 -7.569 -8.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.689 -9.771 -5.018 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.764 -9.752 -7.452 1.00 0.00 H new ATOM 672 N GLY A 45 -4.405 -4.080 -3.945 1.00 0.00 N ATOM 673 CA GLY A 45 -3.421 -3.270 -4.643 1.00 0.00 C ATOM 674 C GLY A 45 -3.344 -3.654 -6.122 1.00 0.00 C ATOM 675 O GLY A 45 -4.225 -4.342 -6.635 1.00 0.00 O ATOM 0 H GLY A 45 -4.098 -5.027 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.681 -2.216 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.443 -3.399 -4.179 1.00 0.00 H new ATOM 679 N GLU A 46 -2.281 -3.193 -6.765 1.00 0.00 N ATOM 680 CA GLU A 46 -2.077 -3.480 -8.175 1.00 0.00 C ATOM 681 C GLU A 46 -0.618 -3.229 -8.561 1.00 0.00 C ATOM 682 O GLU A 46 -0.116 -2.115 -8.416 1.00 0.00 O ATOM 683 CB GLU A 46 -3.025 -2.653 -9.045 1.00 0.00 C ATOM 684 CG GLU A 46 -2.725 -2.860 -10.531 1.00 0.00 C ATOM 685 CD GLU A 46 -3.347 -1.746 -11.376 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.588 -1.770 -11.522 1.00 0.00 O ATOM 687 OE2 GLU A 46 -2.567 -0.895 -11.857 1.00 0.00 O ATOM 0 H GLU A 46 -1.552 -2.623 -6.336 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.303 -4.532 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.057 -2.936 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.927 -1.597 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.647 -2.882 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.114 -3.826 -10.853 1.00 0.00 H new ATOM 694 N ARG A 47 0.022 -4.283 -9.047 1.00 0.00 N ATOM 695 CA ARG A 47 1.414 -4.190 -9.455 1.00 0.00 C ATOM 696 C ARG A 47 1.508 -3.866 -10.948 1.00 0.00 C ATOM 697 O ARG A 47 0.494 -3.613 -11.597 1.00 0.00 O ATOM 698 CB ARG A 47 2.158 -5.498 -9.176 1.00 0.00 C ATOM 699 CG ARG A 47 2.807 -5.475 -7.791 1.00 0.00 C ATOM 700 CD ARG A 47 4.312 -5.223 -7.895 1.00 0.00 C ATOM 701 NE ARG A 47 5.038 -6.512 -7.952 1.00 0.00 N ATOM 702 CZ ARG A 47 6.311 -6.640 -8.349 1.00 0.00 C ATOM 703 NH1 ARG A 47 7.008 -5.559 -8.726 1.00 0.00 N ATOM 704 NH2 ARG A 47 6.889 -7.849 -8.369 1.00 0.00 N ATOM 0 H ARG A 47 -0.397 -5.205 -9.167 1.00 0.00 H new ATOM 0 HA ARG A 47 1.877 -3.391 -8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.465 -6.336 -9.243 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.922 -5.655 -9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.346 -4.697 -7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.628 -6.424 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.530 -4.634 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.652 -4.642 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 47 4.538 -7.355 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.569 -4.638 -8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.977 -5.657 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.360 -8.672 -8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.858 -7.946 -8.671 1.00 0.00 H new ATOM 718 N ALA A 48 2.735 -3.885 -11.448 1.00 0.00 N ATOM 719 CA ALA A 48 2.975 -3.596 -12.852 1.00 0.00 C ATOM 720 C ALA A 48 2.228 -4.617 -13.713 1.00 0.00 C ATOM 721 O ALA A 48 2.665 -5.759 -13.846 1.00 0.00 O ATOM 722 CB ALA A 48 4.480 -3.594 -13.123 1.00 0.00 C ATOM 0 H ALA A 48 3.573 -4.096 -10.906 1.00 0.00 H new ATOM 0 HA ALA A 48 2.597 -2.607 -13.111 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.660 -3.377 -14.176 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.959 -2.832 -12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.895 -4.572 -12.878 1.00 0.00 H new ATOM 728 N GLY A 49 1.116 -4.168 -14.276 1.00 0.00 N ATOM 729 CA GLY A 49 0.305 -5.029 -15.120 1.00 0.00 C ATOM 730 C GLY A 49 -0.248 -6.214 -14.326 1.00 0.00 C ATOM 731 O GLY A 49 -0.838 -7.128 -14.898 1.00 0.00 O ATOM 0 H GLY A 49 0.758 -3.220 -14.164 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.519 -4.456 -15.545 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.904 -5.394 -15.955 1.00 0.00 H new ATOM 735 N CYS A 50 -0.037 -6.159 -13.019 1.00 0.00 N ATOM 736 CA CYS A 50 -0.507 -7.216 -12.140 1.00 0.00 C ATOM 737 C CYS A 50 -1.572 -6.631 -11.211 1.00 0.00 C ATOM 738 O CYS A 50 -1.622 -5.419 -11.003 1.00 0.00 O ATOM 739 CB CYS A 50 0.643 -7.855 -11.359 1.00 0.00 C ATOM 740 SG CYS A 50 1.185 -9.394 -12.188 1.00 0.00 S ATOM 0 H CYS A 50 0.453 -5.399 -12.548 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.946 -8.018 -12.734 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.477 -7.157 -11.288 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.324 -8.074 -10.340 1.00 0.00 H new ATOM 0 HG CYS A 50 2.163 -9.927 -11.518 1.00 0.00 H new ATOM 746 N CYS A 51 -2.398 -7.518 -10.677 1.00 0.00 N ATOM 747 CA CYS A 51 -3.459 -7.105 -9.775 1.00 0.00 C ATOM 748 C CYS A 51 -3.696 -8.228 -8.764 1.00 0.00 C ATOM 749 O CYS A 51 -4.159 -9.308 -9.128 1.00 0.00 O ATOM 750 CB CYS A 51 -4.737 -6.741 -10.534 1.00 0.00 C ATOM 751 SG CYS A 51 -4.319 -5.812 -12.054 1.00 0.00 S ATOM 0 H CYS A 51 -2.354 -8.522 -10.852 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.158 -6.200 -9.247 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.287 -7.646 -10.791 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.389 -6.141 -9.899 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.111 -5.341 -11.956 1.00 0.00 H new ATOM 757 N GLY A 52 -3.366 -7.936 -7.514 1.00 0.00 N ATOM 758 CA GLY A 52 -3.537 -8.909 -6.448 1.00 0.00 C ATOM 759 C GLY A 52 -3.854 -8.217 -5.121 1.00 0.00 C ATOM 760 O GLY A 52 -3.971 -6.994 -5.066 1.00 0.00 O ATOM 0 H GLY A 52 -2.981 -7.040 -7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.342 -9.598 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.630 -9.504 -6.345 1.00 0.00 H new ATOM 764 N TYR A 53 -3.984 -9.030 -4.083 1.00 0.00 N ATOM 765 CA TYR A 53 -4.285 -8.512 -2.759 1.00 0.00 C ATOM 766 C TYR A 53 -3.002 -8.234 -1.974 1.00 0.00 C ATOM 767 O TYR A 53 -2.026 -8.973 -2.091 1.00 0.00 O ATOM 768 CB TYR A 53 -5.077 -9.610 -2.046 1.00 0.00 C ATOM 769 CG TYR A 53 -6.593 -9.407 -2.080 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.157 -8.319 -1.446 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.396 -10.311 -2.746 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.584 -8.128 -1.478 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.822 -10.120 -2.778 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.346 -9.038 -2.142 1.00 0.00 C ATOM 775 OH TYR A 53 -10.694 -8.857 -2.172 1.00 0.00 O ATOM 0 H TYR A 53 -3.886 -10.044 -4.132 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.839 -7.576 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.839 -10.570 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.751 -9.662 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.529 -7.611 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.954 -11.162 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.039 -7.281 -0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.462 -10.820 -3.295 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.110 -9.583 -2.682 1.00 0.00 H new ATOM 785 N ILE A 54 -3.044 -7.165 -1.192 1.00 0.00 N ATOM 786 CA ILE A 54 -1.897 -6.780 -0.388 1.00 0.00 C ATOM 787 C ILE A 54 -2.328 -6.637 1.073 1.00 0.00 C ATOM 788 O ILE A 54 -3.479 -6.304 1.354 1.00 0.00 O ATOM 789 CB ILE A 54 -1.239 -5.523 -0.961 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.293 -4.528 -1.453 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.234 -5.881 -2.057 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.711 -3.116 -1.550 1.00 0.00 C ATOM 0 H ILE A 54 -3.855 -6.553 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.132 -7.556 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.683 -5.034 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.665 -4.840 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.144 -4.528 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.219 -4.970 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.543 -6.524 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.747 -6.405 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.480 -2.429 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.362 -2.798 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.875 -3.114 -2.250 1.00 0.00 H new ATOM 804 N PRO A 55 -1.357 -6.901 1.987 1.00 0.00 N ATOM 805 CA PRO A 55 -1.625 -6.806 3.412 1.00 0.00 C ATOM 806 C PRO A 55 -1.696 -5.344 3.859 1.00 0.00 C ATOM 807 O PRO A 55 -1.280 -4.447 3.129 1.00 0.00 O ATOM 808 CB PRO A 55 -0.496 -7.576 4.077 1.00 0.00 C ATOM 809 CG PRO A 55 0.608 -7.678 3.037 1.00 0.00 C ATOM 810 CD PRO A 55 0.016 -7.298 1.690 1.00 0.00 C ATOM 0 HA PRO A 55 -2.592 -7.227 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.144 -7.060 4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.830 -8.565 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.435 -7.015 3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.010 -8.691 3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.573 -6.482 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.044 -8.137 0.994 1.00 0.00 H new ATOM 818 N ALA A 56 -2.227 -5.151 5.058 1.00 0.00 N ATOM 819 CA ALA A 56 -2.358 -3.814 5.612 1.00 0.00 C ATOM 820 C ALA A 56 -1.441 -3.678 6.829 1.00 0.00 C ATOM 821 O ALA A 56 -1.892 -3.801 7.967 1.00 0.00 O ATOM 822 CB ALA A 56 -3.824 -3.544 5.953 1.00 0.00 C ATOM 0 H ALA A 56 -2.571 -5.898 5.661 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.050 -3.065 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.922 -2.541 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.428 -3.623 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.168 -4.275 6.685 1.00 0.00 H new ATOM 828 N ASN A 57 -0.171 -3.428 6.548 1.00 0.00 N ATOM 829 CA ASN A 57 0.813 -3.275 7.606 1.00 0.00 C ATOM 830 C ASN A 57 2.198 -3.078 6.985 1.00 0.00 C ATOM 831 O ASN A 57 2.986 -2.264 7.462 1.00 0.00 O ATOM 832 CB ASN A 57 0.866 -4.520 8.494 1.00 0.00 C ATOM 833 CG ASN A 57 1.809 -4.308 9.680 1.00 0.00 C ATOM 834 OD1 ASN A 57 3.091 -4.526 9.398 1.00 0.00 O flip ATOM 835 ND2 ASN A 57 1.401 -3.969 10.778 1.00 0.00 N flip ATOM 0 H ASN A 57 0.199 -3.328 5.603 1.00 0.00 H new ATOM 0 HA ASN A 57 0.527 -2.414 8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.134 -4.754 8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.200 -5.376 7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.403 -3.818 10.927 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.057 -3.836 11.547 1.00 0.00 H new ATOM 842 N HIS A 58 2.451 -3.838 5.929 1.00 0.00 N ATOM 843 CA HIS A 58 3.726 -3.757 5.238 1.00 0.00 C ATOM 844 C HIS A 58 3.845 -2.402 4.537 1.00 0.00 C ATOM 845 O HIS A 58 4.950 -1.937 4.261 1.00 0.00 O ATOM 846 CB HIS A 58 3.900 -4.937 4.279 1.00 0.00 C ATOM 847 CG HIS A 58 4.306 -6.224 4.957 1.00 0.00 C ATOM 848 ND1 HIS A 58 5.530 -6.808 5.100 1.00 0.00 N flip ATOM 849 CD2 HIS A 58 3.399 -7.061 5.583 1.00 0.00 C flip ATOM 850 CE1 HIS A 58 5.379 -7.939 5.777 1.00 0.00 C flip ATOM 851 NE2 HIS A 58 4.058 -8.098 6.077 1.00 0.00 N flip ATOM 0 H HIS A 58 1.795 -4.512 5.536 1.00 0.00 H new ATOM 0 HA HIS A 58 4.540 -3.827 5.960 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.964 -5.099 3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.652 -4.678 3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.334 -6.896 5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.172 -8.621 6.046 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.650 -8.878 6.591 1.00 0.00 H new ATOM 859 N VAL A 59 2.692 -1.807 4.270 1.00 0.00 N ATOM 860 CA VAL A 59 2.653 -0.515 3.606 1.00 0.00 C ATOM 861 C VAL A 59 2.090 0.532 4.570 1.00 0.00 C ATOM 862 O VAL A 59 1.306 0.203 5.460 1.00 0.00 O ATOM 863 CB VAL A 59 1.856 -0.618 2.304 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.629 -1.414 1.251 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.477 -1.232 2.553 1.00 0.00 C ATOM 0 H VAL A 59 1.778 -2.196 4.501 1.00 0.00 H new ATOM 0 HA VAL A 59 3.659 -0.197 3.331 1.00 0.00 H new ATOM 0 HB VAL A 59 1.708 0.391 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.041 -1.473 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.577 -0.917 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.821 -2.420 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.069 -1.294 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.594 -2.232 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.078 -0.608 3.254 1.00 0.00 H new