USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 410 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 10 THR OG1 : rot 36:sc= 0.109 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -137:sc= 0 (180deg=-0.814) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 39 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.9) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -4.1! C(o=-4.1!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 1.066 12.925 -1.367 1.00 0.00 N ATOM 94 CA THR A 10 0.102 11.895 -1.000 1.00 0.00 C ATOM 95 C THR A 10 0.802 10.584 -0.660 1.00 0.00 C ATOM 96 O THR A 10 1.691 10.136 -1.384 1.00 0.00 O ATOM 97 CB THR A 10 -0.911 11.645 -2.132 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.542 12.875 -2.506 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.968 10.639 -1.700 1.00 0.00 C ATOM 0 HA THR A 10 -0.430 12.258 -0.121 1.00 0.00 H new ATOM 0 HB THR A 10 -0.372 11.238 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.896 13.608 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.673 10.478 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.488 9.694 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.501 11.023 -0.830 1.00 0.00 H new ATOM 107 N LYS A 11 0.393 9.970 0.446 1.00 0.00 N ATOM 108 CA LYS A 11 0.979 8.708 0.882 1.00 0.00 C ATOM 109 C LYS A 11 -0.104 7.663 1.129 1.00 0.00 C ATOM 110 O LYS A 11 -1.289 7.988 1.202 1.00 0.00 O ATOM 111 CB LYS A 11 1.802 8.917 2.155 1.00 0.00 C ATOM 112 CG LYS A 11 3.075 9.715 1.933 1.00 0.00 C ATOM 113 CD LYS A 11 4.149 9.343 2.941 1.00 0.00 C ATOM 114 CE LYS A 11 5.541 9.648 2.410 1.00 0.00 C ATOM 115 NZ LYS A 11 5.899 11.084 2.584 1.00 0.00 N ATOM 0 H LYS A 11 -0.342 10.326 1.057 1.00 0.00 H new ATOM 0 HA LYS A 11 1.634 8.347 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.187 9.429 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.061 7.945 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.445 9.538 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.856 10.780 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.984 9.891 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.074 8.282 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.271 9.026 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.592 9.387 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.855 11.251 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.217 11.677 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.875 11.328 3.595 1.00 0.00 H new ATOM 129 N ALA A 12 0.311 6.407 1.260 1.00 0.00 N ATOM 130 CA ALA A 12 -0.624 5.315 1.503 1.00 0.00 C ATOM 131 C ALA A 12 0.033 4.200 2.310 1.00 0.00 C ATOM 132 O ALA A 12 1.182 3.834 2.060 1.00 0.00 O ATOM 133 CB ALA A 12 -1.156 4.773 0.185 1.00 0.00 C ATOM 0 H ALA A 12 1.288 6.121 1.202 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.458 5.706 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.853 3.958 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.670 5.568 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.326 4.403 -0.418 1.00 0.00 H new ATOM 139 N ARG A 13 -0.703 3.664 3.278 1.00 0.00 N ATOM 140 CA ARG A 13 -0.191 2.592 4.122 1.00 0.00 C ATOM 141 C ARG A 13 -0.749 1.241 3.684 1.00 0.00 C ATOM 142 O ARG A 13 -1.937 1.115 3.385 1.00 0.00 O ATOM 143 CB ARG A 13 -0.549 2.852 5.587 1.00 0.00 C ATOM 144 CG ARG A 13 0.004 1.808 6.543 1.00 0.00 C ATOM 145 CD ARG A 13 -0.575 1.971 7.940 1.00 0.00 C ATOM 146 NE ARG A 13 -0.141 0.906 8.840 1.00 0.00 N ATOM 147 CZ ARG A 13 1.025 0.912 9.477 1.00 0.00 C ATOM 148 NH1 ARG A 13 1.869 1.922 9.313 1.00 0.00 N ATOM 149 NH2 ARG A 13 1.349 -0.094 10.279 1.00 0.00 N ATOM 0 H ARG A 13 -1.656 3.955 3.497 1.00 0.00 H new ATOM 0 HA ARG A 13 0.894 2.569 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.172 3.833 5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.634 2.886 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.225 0.811 6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.090 1.891 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.272 2.936 8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.663 1.976 7.883 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.767 0.114 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.624 2.697 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.763 1.924 9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.703 -0.873 10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.244 -0.089 10.768 1.00 0.00 H new ATOM 163 N VAL A 14 0.117 0.233 3.647 1.00 0.00 N ATOM 164 CA VAL A 14 -0.289 -1.109 3.245 1.00 0.00 C ATOM 165 C VAL A 14 -1.019 -1.824 4.376 1.00 0.00 C ATOM 166 O VAL A 14 -0.537 -1.872 5.507 1.00 0.00 O ATOM 167 CB VAL A 14 0.923 -1.957 2.815 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.466 -3.274 2.209 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.793 -1.183 1.835 1.00 0.00 C ATOM 0 H VAL A 14 1.104 0.320 3.890 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.963 -0.995 2.396 1.00 0.00 H new ATOM 0 HB VAL A 14 1.520 -2.180 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.336 -3.859 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.112 -3.832 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.154 -3.076 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.645 -1.797 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.208 -0.928 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.151 -0.269 2.309 1.00 0.00 H new ATOM 179 N MET A 15 -2.186 -2.378 4.063 1.00 0.00 N ATOM 180 CA MET A 15 -2.983 -3.093 5.053 1.00 0.00 C ATOM 181 C MET A 15 -2.832 -4.602 4.886 1.00 0.00 C ATOM 182 O MET A 15 -3.061 -5.365 5.825 1.00 0.00 O ATOM 183 CB MET A 15 -4.456 -2.699 4.933 1.00 0.00 C ATOM 184 CG MET A 15 -4.668 -1.232 4.600 1.00 0.00 C ATOM 185 SD MET A 15 -6.403 -0.745 4.678 1.00 0.00 S ATOM 186 CE MET A 15 -7.052 -1.572 3.228 1.00 0.00 C ATOM 0 H MET A 15 -2.601 -2.345 3.132 1.00 0.00 H new ATOM 0 HA MET A 15 -2.620 -2.818 6.043 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.925 -3.310 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.962 -2.927 5.871 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.091 -0.619 5.293 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.283 -1.031 3.600 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.726 -0.900 2.697 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.229 -1.855 2.571 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.597 -2.466 3.532 1.00 0.00 H new ATOM 196 N TYR A 16 -2.446 -5.024 3.687 1.00 0.00 N ATOM 197 CA TYR A 16 -2.268 -6.442 3.398 1.00 0.00 C ATOM 198 C TYR A 16 -1.152 -6.653 2.379 1.00 0.00 C ATOM 199 O TYR A 16 -1.269 -6.252 1.221 1.00 0.00 O ATOM 200 CB TYR A 16 -3.573 -7.045 2.875 1.00 0.00 C ATOM 201 CG TYR A 16 -4.800 -6.569 3.618 1.00 0.00 C ATOM 202 CD1 TYR A 16 -5.046 -6.972 4.924 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.715 -5.715 3.013 1.00 0.00 C ATOM 204 CE1 TYR A 16 -6.167 -6.541 5.606 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.838 -5.277 3.688 1.00 0.00 C ATOM 206 CZ TYR A 16 -7.059 -5.693 4.984 1.00 0.00 C ATOM 207 OH TYR A 16 -8.176 -5.259 5.661 1.00 0.00 O ATOM 0 H TYR A 16 -2.251 -4.405 2.900 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.990 -6.944 4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.680 -6.798 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.515 -8.131 2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.348 -7.634 5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.545 -5.388 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.344 -6.866 6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.539 -4.613 3.204 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.700 -4.667 5.082 1.00 0.00 H new ATOM 217 N ASP A 17 -0.071 -7.288 2.818 1.00 0.00 N ATOM 218 CA ASP A 17 1.066 -7.556 1.946 1.00 0.00 C ATOM 219 C ASP A 17 0.599 -7.909 0.537 1.00 0.00 C ATOM 220 O ASP A 17 -0.335 -8.692 0.360 1.00 0.00 O ATOM 221 CB ASP A 17 1.916 -8.692 2.515 1.00 0.00 C ATOM 222 CG ASP A 17 3.344 -8.659 2.004 1.00 0.00 C ATOM 223 OD1 ASP A 17 3.548 -8.260 0.839 1.00 0.00 O ATOM 224 OD2 ASP A 17 4.256 -9.032 2.771 1.00 0.00 O ATOM 0 H ASP A 17 0.042 -7.627 3.773 1.00 0.00 H new ATOM 0 HA ASP A 17 1.672 -6.652 1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.921 -8.628 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.462 -9.648 2.254 1.00 0.00 H new ATOM 229 N PHE A 18 1.254 -7.327 -0.462 1.00 0.00 N ATOM 230 CA PHE A 18 0.905 -7.579 -1.855 1.00 0.00 C ATOM 231 C PHE A 18 2.136 -7.986 -2.659 1.00 0.00 C ATOM 232 O PHE A 18 3.061 -7.196 -2.840 1.00 0.00 O ATOM 233 CB PHE A 18 0.264 -6.336 -2.475 1.00 0.00 C ATOM 234 CG PHE A 18 -0.181 -6.536 -3.896 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.075 -7.543 -4.220 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.296 -5.717 -4.907 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.487 -7.729 -5.526 1.00 0.00 C ATOM 238 CE2 PHE A 18 -0.112 -5.899 -6.214 1.00 0.00 C ATOM 239 CZ PHE A 18 -1.004 -6.907 -6.525 1.00 0.00 C ATOM 0 H PHE A 18 2.030 -6.677 -0.333 1.00 0.00 H new ATOM 0 HA PHE A 18 0.188 -8.400 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.595 -6.041 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.977 -5.513 -2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.454 -8.190 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.994 -4.928 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.186 -8.517 -5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.266 -5.253 -6.993 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.323 -7.052 -7.547 1.00 0.00 H new ATOM 249 N ALA A 19 2.138 -9.226 -3.139 1.00 0.00 N ATOM 250 CA ALA A 19 3.254 -9.738 -3.925 1.00 0.00 C ATOM 251 C ALA A 19 3.087 -9.398 -5.402 1.00 0.00 C ATOM 252 O ALA A 19 2.284 -10.013 -6.104 1.00 0.00 O ATOM 253 CB ALA A 19 3.383 -11.243 -3.740 1.00 0.00 C ATOM 0 H ALA A 19 1.380 -9.894 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 19 4.166 -9.259 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.220 -11.612 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.557 -11.467 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.464 -11.730 -4.067 1.00 0.00 H new ATOM 259 N ALA A 20 3.849 -8.413 -5.867 1.00 0.00 N ATOM 260 CA ALA A 20 3.786 -7.992 -7.262 1.00 0.00 C ATOM 261 C ALA A 20 4.787 -8.764 -8.114 1.00 0.00 C ATOM 262 O ALA A 20 5.995 -8.682 -7.896 1.00 0.00 O ATOM 263 CB ALA A 20 4.038 -6.496 -7.373 1.00 0.00 C ATOM 0 H ALA A 20 4.517 -7.892 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 20 2.786 -8.210 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.988 -6.195 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.281 -5.956 -6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.026 -6.263 -6.975 1.00 0.00 H new ATOM 319 N ASN A 25 4.025 -4.560 -14.489 1.00 0.00 N ATOM 320 CA ASN A 25 3.992 -3.145 -14.136 1.00 0.00 C ATOM 321 C ASN A 25 3.401 -2.946 -12.744 1.00 0.00 C ATOM 322 O ASN A 25 2.639 -2.008 -12.511 1.00 0.00 O ATOM 323 CB ASN A 25 3.176 -2.361 -15.166 1.00 0.00 C ATOM 324 CG ASN A 25 3.821 -2.363 -16.538 1.00 0.00 C ATOM 325 OD1 ASN A 25 5.046 -2.377 -16.660 1.00 0.00 O ATOM 326 ND2 ASN A 25 2.997 -2.349 -17.579 1.00 0.00 N ATOM 0 HA ASN A 25 5.016 -2.772 -14.133 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.177 -2.791 -15.237 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.057 -1.333 -14.825 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.373 -2.350 -18.527 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.988 -2.338 -17.431 1.00 0.00 H new ATOM 333 N GLU A 26 3.761 -3.834 -11.822 1.00 0.00 N ATOM 334 CA GLU A 26 3.266 -3.754 -10.452 1.00 0.00 C ATOM 335 C GLU A 26 4.418 -3.585 -9.466 1.00 0.00 C ATOM 336 O GLU A 26 5.557 -3.954 -9.756 1.00 0.00 O ATOM 337 CB GLU A 26 2.462 -5.009 -10.103 1.00 0.00 C ATOM 338 CG GLU A 26 1.074 -5.033 -10.720 1.00 0.00 C ATOM 339 CD GLU A 26 0.205 -6.141 -10.158 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.293 -6.405 -8.940 1.00 0.00 O ATOM 341 OE2 GLU A 26 -0.563 -6.745 -10.936 1.00 0.00 O ATOM 0 H GLU A 26 4.392 -4.616 -11.998 1.00 0.00 H new ATOM 0 HA GLU A 26 2.616 -2.882 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.014 -5.888 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.370 -5.082 -9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.588 -4.073 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.162 -5.158 -11.799 1.00 0.00 H new ATOM 348 N LEU A 27 4.114 -3.023 -8.301 1.00 0.00 N ATOM 349 CA LEU A 27 5.124 -2.804 -7.272 1.00 0.00 C ATOM 350 C LEU A 27 4.848 -3.668 -6.045 1.00 0.00 C ATOM 351 O LEU A 27 3.705 -3.797 -5.607 1.00 0.00 O ATOM 352 CB LEU A 27 5.160 -1.328 -6.872 1.00 0.00 C ATOM 353 CG LEU A 27 6.294 -0.914 -5.933 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.602 -0.788 -6.699 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.956 0.394 -5.233 1.00 0.00 C ATOM 0 H LEU A 27 3.177 -2.711 -8.046 1.00 0.00 H new ATOM 0 HA LEU A 27 6.093 -3.087 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.229 -0.728 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.212 -1.078 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 27 6.413 -1.688 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.397 -0.493 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.851 -1.747 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.496 -0.034 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.774 0.673 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.809 1.177 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.043 0.270 -4.651 1.00 0.00 H new ATOM 367 N THR A 28 5.904 -4.258 -5.494 1.00 0.00 N ATOM 368 CA THR A 28 5.777 -5.109 -4.317 1.00 0.00 C ATOM 369 C THR A 28 5.751 -4.279 -3.039 1.00 0.00 C ATOM 370 O THR A 28 6.561 -3.370 -2.860 1.00 0.00 O ATOM 371 CB THR A 28 6.930 -6.126 -4.232 1.00 0.00 C ATOM 372 OG1 THR A 28 7.098 -6.783 -5.494 1.00 0.00 O ATOM 373 CG2 THR A 28 6.661 -7.160 -3.149 1.00 0.00 C ATOM 0 H THR A 28 6.857 -4.162 -5.844 1.00 0.00 H new ATOM 0 HA THR A 28 4.835 -5.647 -4.416 1.00 0.00 H new ATOM 0 HB THR A 28 7.843 -5.587 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.834 -7.427 -5.432 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.489 -7.868 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.562 -6.660 -2.185 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.738 -7.694 -3.377 1.00 0.00 H new ATOM 381 N VAL A 29 4.815 -4.599 -2.150 1.00 0.00 N ATOM 382 CA VAL A 29 4.685 -3.883 -0.886 1.00 0.00 C ATOM 383 C VAL A 29 4.514 -4.852 0.278 1.00 0.00 C ATOM 384 O VAL A 29 4.201 -6.027 0.083 1.00 0.00 O ATOM 385 CB VAL A 29 3.490 -2.912 -0.911 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.622 -1.933 -2.067 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.181 -3.682 -1.000 1.00 0.00 C ATOM 0 H VAL A 29 4.136 -5.349 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 29 5.604 -3.313 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 29 3.487 -2.342 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.769 -1.255 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.542 -1.359 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.650 -2.483 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.347 -2.981 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.171 -4.279 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.086 -4.339 -0.135 1.00 0.00 H new ATOM 397 N THR A 30 4.722 -4.352 1.492 1.00 0.00 N ATOM 398 CA THR A 30 4.592 -5.173 2.690 1.00 0.00 C ATOM 399 C THR A 30 3.643 -4.532 3.696 1.00 0.00 C ATOM 400 O THR A 30 3.472 -3.313 3.711 1.00 0.00 O ATOM 401 CB THR A 30 5.957 -5.404 3.364 1.00 0.00 C ATOM 402 OG1 THR A 30 6.624 -4.152 3.560 1.00 0.00 O ATOM 403 CG2 THR A 30 6.829 -6.322 2.520 1.00 0.00 C ATOM 0 H THR A 30 4.981 -3.382 1.672 1.00 0.00 H new ATOM 0 HA THR A 30 4.185 -6.133 2.372 1.00 0.00 H new ATOM 0 HB THR A 30 5.785 -5.879 4.330 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.491 -4.307 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.788 -6.470 3.016 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.332 -7.284 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.993 -5.870 1.542 1.00 0.00 H new ATOM 411 N GLU A 31 3.029 -5.360 4.535 1.00 0.00 N ATOM 412 CA GLU A 31 2.097 -4.871 5.544 1.00 0.00 C ATOM 413 C GLU A 31 2.804 -3.957 6.541 1.00 0.00 C ATOM 414 O GLU A 31 3.533 -4.422 7.417 1.00 0.00 O ATOM 415 CB GLU A 31 1.449 -6.045 6.282 1.00 0.00 C ATOM 416 CG GLU A 31 0.472 -5.618 7.365 1.00 0.00 C ATOM 417 CD GLU A 31 0.266 -6.687 8.420 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.634 -7.534 8.239 1.00 0.00 O ATOM 419 OE2 GLU A 31 1.005 -6.677 9.426 1.00 0.00 O ATOM 0 H GLU A 31 3.160 -6.372 4.536 1.00 0.00 H new ATOM 0 HA GLU A 31 1.322 -4.296 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.927 -6.673 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.231 -6.657 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.838 -4.709 7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.487 -5.374 6.908 1.00 0.00 H new ATOM 426 N GLY A 32 2.584 -2.654 6.399 1.00 0.00 N ATOM 427 CA GLY A 32 3.207 -1.695 7.293 1.00 0.00 C ATOM 428 C GLY A 32 4.156 -0.760 6.569 1.00 0.00 C ATOM 429 O GLY A 32 4.644 0.210 7.148 1.00 0.00 O ATOM 0 H GLY A 32 1.986 -2.245 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.433 -1.110 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.751 -2.229 8.072 1.00 0.00 H new ATOM 433 N GLU A 33 4.420 -1.054 5.299 1.00 0.00 N ATOM 434 CA GLU A 33 5.320 -0.233 4.497 1.00 0.00 C ATOM 435 C GLU A 33 4.607 1.016 3.987 1.00 0.00 C ATOM 436 O GLU A 33 3.400 0.998 3.741 1.00 0.00 O ATOM 437 CB GLU A 33 5.867 -1.040 3.318 1.00 0.00 C ATOM 438 CG GLU A 33 6.295 -0.181 2.140 1.00 0.00 C ATOM 439 CD GLU A 33 5.169 0.058 1.153 1.00 0.00 C ATOM 440 OE1 GLU A 33 4.278 0.879 1.457 1.00 0.00 O ATOM 441 OE2 GLU A 33 5.178 -0.575 0.076 1.00 0.00 O ATOM 0 H GLU A 33 4.024 -1.853 4.804 1.00 0.00 H new ATOM 0 HA GLU A 33 6.150 0.078 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.719 -1.629 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.104 -1.744 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.660 0.778 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.127 -0.663 1.627 1.00 0.00 H new ATOM 448 N ILE A 34 5.361 2.098 3.830 1.00 0.00 N ATOM 449 CA ILE A 34 4.802 3.355 3.348 1.00 0.00 C ATOM 450 C ILE A 34 5.369 3.720 1.980 1.00 0.00 C ATOM 451 O ILE A 34 6.574 3.623 1.751 1.00 0.00 O ATOM 452 CB ILE A 34 5.080 4.508 4.331 1.00 0.00 C ATOM 453 CG1 ILE A 34 4.624 4.127 5.741 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.383 5.779 3.868 1.00 0.00 C ATOM 455 CD1 ILE A 34 3.124 4.190 5.928 1.00 0.00 C ATOM 0 H ILE A 34 6.361 2.130 4.029 1.00 0.00 H new ATOM 0 HA ILE A 34 3.725 3.211 3.265 1.00 0.00 H new ATOM 0 HB ILE A 34 6.154 4.694 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.968 3.117 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.100 4.793 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.589 6.584 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.752 6.057 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.308 5.607 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.873 3.907 6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.776 5.205 5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.641 3.503 5.233 1.00 0.00 H new ATOM 467 N ILE A 35 4.491 4.143 1.077 1.00 0.00 N ATOM 468 CA ILE A 35 4.904 4.525 -0.268 1.00 0.00 C ATOM 469 C ILE A 35 4.273 5.851 -0.680 1.00 0.00 C ATOM 470 O ILE A 35 3.403 6.380 0.012 1.00 0.00 O ATOM 471 CB ILE A 35 4.527 3.447 -1.301 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.033 3.130 -1.218 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.354 2.190 -1.080 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.474 2.514 -2.481 1.00 0.00 C ATOM 0 H ILE A 35 3.490 4.230 1.252 1.00 0.00 H new ATOM 0 HA ILE A 35 5.989 4.632 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 35 4.743 3.830 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.860 2.449 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.487 4.048 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.076 1.437 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.413 2.428 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.167 1.803 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.410 2.316 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.615 3.202 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.994 1.579 -2.691 1.00 0.00 H new ATOM 486 N THR A 36 4.717 6.384 -1.815 1.00 0.00 N ATOM 487 CA THR A 36 4.196 7.648 -2.320 1.00 0.00 C ATOM 488 C THR A 36 3.158 7.417 -3.413 1.00 0.00 C ATOM 489 O THR A 36 3.361 6.603 -4.314 1.00 0.00 O ATOM 490 CB THR A 36 5.323 8.536 -2.879 1.00 0.00 C ATOM 491 OG1 THR A 36 6.363 8.679 -1.905 1.00 0.00 O ATOM 492 CG2 THR A 36 4.790 9.908 -3.264 1.00 0.00 C ATOM 0 H THR A 36 5.436 5.960 -2.401 1.00 0.00 H new ATOM 0 HA THR A 36 3.726 8.156 -1.478 1.00 0.00 H new ATOM 0 HB THR A 36 5.725 8.056 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.077 9.244 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.604 10.518 -3.656 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.019 9.798 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.365 10.393 -2.385 1.00 0.00 H new ATOM 500 N VAL A 37 2.045 8.138 -3.327 1.00 0.00 N ATOM 501 CA VAL A 37 0.975 8.013 -4.309 1.00 0.00 C ATOM 502 C VAL A 37 1.054 9.122 -5.352 1.00 0.00 C ATOM 503 O VAL A 37 1.043 10.307 -5.017 1.00 0.00 O ATOM 504 CB VAL A 37 -0.411 8.052 -3.638 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.511 7.882 -4.675 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.511 6.982 -2.562 1.00 0.00 C ATOM 0 H VAL A 37 1.861 8.815 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 37 1.106 7.048 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.539 9.025 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.483 7.912 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.449 8.688 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.390 6.924 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.496 7.024 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.362 6.000 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.254 7.155 -1.805 1.00 0.00 H new ATOM 516 N THR A 38 1.134 8.731 -6.620 1.00 0.00 N ATOM 517 CA THR A 38 1.215 9.692 -7.713 1.00 0.00 C ATOM 518 C THR A 38 -0.086 9.733 -8.507 1.00 0.00 C ATOM 519 O THR A 38 -0.631 10.804 -8.768 1.00 0.00 O ATOM 520 CB THR A 38 2.376 9.358 -8.669 1.00 0.00 C ATOM 521 OG1 THR A 38 2.273 8.000 -9.110 1.00 0.00 O ATOM 522 CG2 THR A 38 3.718 9.575 -7.986 1.00 0.00 C ATOM 0 H THR A 38 1.144 7.755 -6.915 1.00 0.00 H new ATOM 0 HA THR A 38 1.394 10.669 -7.263 1.00 0.00 H new ATOM 0 HB THR A 38 2.312 10.024 -9.530 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.014 7.797 -9.718 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.523 9.333 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.805 10.617 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.789 8.931 -7.110 1.00 0.00 H new ATOM 530 N ASN A 39 -0.578 8.558 -8.888 1.00 0.00 N ATOM 531 CA ASN A 39 -1.816 8.461 -9.653 1.00 0.00 C ATOM 532 C ASN A 39 -2.843 7.605 -8.918 1.00 0.00 C ATOM 533 O ASN A 39 -3.026 6.423 -9.211 1.00 0.00 O ATOM 534 CB ASN A 39 -1.540 7.870 -11.037 1.00 0.00 C ATOM 535 CG ASN A 39 -2.701 8.067 -11.992 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.389 9.087 -11.948 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.925 7.088 -12.861 1.00 0.00 N ATOM 0 H ASN A 39 -0.139 7.661 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.222 9.466 -9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.646 8.333 -11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.331 6.805 -10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.693 7.164 -13.528 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.329 6.260 -12.862 1.00 0.00 H new ATOM 544 N PRO A 40 -3.531 8.214 -7.941 1.00 0.00 N ATOM 545 CA PRO A 40 -4.553 7.527 -7.145 1.00 0.00 C ATOM 546 C PRO A 40 -5.802 7.205 -7.958 1.00 0.00 C ATOM 547 O PRO A 40 -6.624 6.385 -7.552 1.00 0.00 O ATOM 548 CB PRO A 40 -4.878 8.535 -6.040 1.00 0.00 C ATOM 549 CG PRO A 40 -4.534 9.862 -6.624 1.00 0.00 C ATOM 550 CD PRO A 40 -3.365 9.621 -7.539 1.00 0.00 C ATOM 0 HA PRO A 40 -4.202 6.565 -6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.930 8.487 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.297 8.336 -5.139 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.379 10.278 -7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.277 10.577 -5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.384 10.290 -8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.415 9.784 -7.029 1.00 0.00 H new ATOM 558 N ASN A 41 -5.938 7.857 -9.109 1.00 0.00 N ATOM 559 CA ASN A 41 -7.088 7.640 -9.979 1.00 0.00 C ATOM 560 C ASN A 41 -6.653 7.053 -11.318 1.00 0.00 C ATOM 561 O ASN A 41 -6.433 7.782 -12.286 1.00 0.00 O ATOM 562 CB ASN A 41 -7.838 8.954 -10.205 1.00 0.00 C ATOM 563 CG ASN A 41 -8.617 9.393 -8.980 1.00 0.00 C ATOM 564 OD1 ASN A 41 -8.180 10.269 -8.233 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.778 8.784 -8.767 1.00 0.00 N ATOM 0 H ASN A 41 -5.266 8.539 -9.460 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.754 6.929 -9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.126 9.733 -10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.522 8.839 -11.045 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.346 9.037 -7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.102 8.063 -9.412 1.00 0.00 H new ATOM 572 N VAL A 42 -6.532 5.730 -11.367 1.00 0.00 N ATOM 573 CA VAL A 42 -6.125 5.044 -12.588 1.00 0.00 C ATOM 574 C VAL A 42 -7.337 4.582 -13.388 1.00 0.00 C ATOM 575 O VAL A 42 -7.505 4.950 -14.550 1.00 0.00 O ATOM 576 CB VAL A 42 -5.234 3.826 -12.278 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.513 3.358 -13.532 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.241 4.161 -11.175 1.00 0.00 C ATOM 0 H VAL A 42 -6.710 5.112 -10.575 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.555 5.761 -13.178 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.869 3.012 -11.929 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.889 2.497 -13.293 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.245 3.076 -14.289 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.888 4.165 -13.915 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.619 3.290 -10.968 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.609 4.990 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.782 4.443 -10.272 1.00 0.00 H new ATOM 588 N GLY A 43 -8.183 3.772 -12.758 1.00 0.00 N ATOM 589 CA GLY A 43 -9.370 3.273 -13.426 1.00 0.00 C ATOM 590 C GLY A 43 -9.862 1.966 -12.836 1.00 0.00 C ATOM 591 O GLY A 43 -9.081 1.040 -12.624 1.00 0.00 O ATOM 0 H GLY A 43 -8.067 3.453 -11.796 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.162 4.019 -13.359 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.155 3.132 -14.485 1.00 0.00 H new ATOM 595 N GLY A 44 -11.162 1.892 -12.568 1.00 0.00 N ATOM 596 CA GLY A 44 -11.734 0.686 -11.999 1.00 0.00 C ATOM 597 C GLY A 44 -11.593 0.633 -10.490 1.00 0.00 C ATOM 598 O GLY A 44 -12.533 0.271 -9.784 1.00 0.00 O ATOM 0 H GLY A 44 -11.829 2.645 -12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.790 0.628 -12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.247 -0.185 -12.437 1.00 0.00 H new ATOM 602 N GLY A 45 -10.412 0.993 -9.995 1.00 0.00 N ATOM 603 CA GLY A 45 -10.172 0.975 -8.564 1.00 0.00 C ATOM 604 C GLY A 45 -8.728 0.667 -8.222 1.00 0.00 C ATOM 605 O GLY A 45 -8.451 -0.084 -7.288 1.00 0.00 O ATOM 0 H GLY A 45 -9.618 1.296 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.444 1.942 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.819 0.231 -8.100 1.00 0.00 H new ATOM 609 N TRP A 46 -7.805 1.248 -8.982 1.00 0.00 N ATOM 610 CA TRP A 46 -6.381 1.029 -8.755 1.00 0.00 C ATOM 611 C TRP A 46 -5.656 2.352 -8.532 1.00 0.00 C ATOM 612 O TRP A 46 -6.237 3.425 -8.700 1.00 0.00 O ATOM 613 CB TRP A 46 -5.763 0.288 -9.942 1.00 0.00 C ATOM 614 CG TRP A 46 -6.328 -1.085 -10.145 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.614 -1.400 -10.483 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.628 -2.327 -10.022 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.754 -2.763 -10.576 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.550 -3.355 -10.299 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.311 -2.671 -9.706 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -6.196 -4.701 -10.268 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.960 -4.008 -9.676 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.899 -5.009 -9.956 1.00 0.00 C ATOM 0 H TRP A 46 -8.017 1.873 -9.759 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.270 0.420 -7.858 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.918 0.874 -10.848 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.686 0.211 -9.792 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.404 -0.683 -10.652 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.615 -3.255 -10.813 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.580 -1.906 -9.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.919 -5.475 -10.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.945 -4.285 -9.433 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.594 -6.044 -9.925 1.00 0.00 H new ATOM 633 N LEU A 47 -4.386 2.269 -8.154 1.00 0.00 N ATOM 634 CA LEU A 47 -3.581 3.461 -7.908 1.00 0.00 C ATOM 635 C LEU A 47 -2.125 3.224 -8.297 1.00 0.00 C ATOM 636 O LEU A 47 -1.652 2.089 -8.304 1.00 0.00 O ATOM 637 CB LEU A 47 -3.669 3.865 -6.436 1.00 0.00 C ATOM 638 CG LEU A 47 -2.918 2.971 -5.448 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.448 3.355 -5.393 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.547 3.058 -4.065 1.00 0.00 C ATOM 0 H LEU A 47 -3.891 1.389 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.975 4.269 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.289 4.882 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.720 3.887 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.990 1.940 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.929 2.709 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.005 3.240 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.355 4.393 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.000 2.415 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.506 4.088 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.586 2.733 -4.117 1.00 0.00 H new ATOM 652 N GLU A 48 -1.420 4.305 -8.616 1.00 0.00 N ATOM 653 CA GLU A 48 -0.017 4.214 -9.004 1.00 0.00 C ATOM 654 C GLU A 48 0.887 4.777 -7.911 1.00 0.00 C ATOM 655 O GLU A 48 0.748 5.931 -7.508 1.00 0.00 O ATOM 656 CB GLU A 48 0.222 4.965 -10.315 1.00 0.00 C ATOM 657 CG GLU A 48 1.473 4.518 -11.053 1.00 0.00 C ATOM 658 CD GLU A 48 2.025 5.592 -11.970 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.248 6.482 -12.375 1.00 0.00 O ATOM 660 OE2 GLU A 48 3.232 5.542 -12.284 1.00 0.00 O ATOM 0 H GLU A 48 -1.797 5.253 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 48 0.227 3.161 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.642 4.828 -10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.296 6.032 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.237 4.237 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.246 3.627 -11.639 1.00 0.00 H new ATOM 667 N GLY A 49 1.813 3.951 -7.434 1.00 0.00 N ATOM 668 CA GLY A 49 2.726 4.382 -6.391 1.00 0.00 C ATOM 669 C GLY A 49 4.177 4.129 -6.750 1.00 0.00 C ATOM 670 O GLY A 49 4.486 3.209 -7.508 1.00 0.00 O ATOM 0 H GLY A 49 1.947 2.991 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.582 5.446 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.488 3.859 -5.465 1.00 0.00 H new ATOM 674 N LYS A 50 5.071 4.947 -6.205 1.00 0.00 N ATOM 675 CA LYS A 50 6.498 4.808 -6.471 1.00 0.00 C ATOM 676 C LYS A 50 7.259 4.473 -5.192 1.00 0.00 C ATOM 677 O LYS A 50 6.943 4.983 -4.119 1.00 0.00 O ATOM 678 CB LYS A 50 7.051 6.097 -7.083 1.00 0.00 C ATOM 679 CG LYS A 50 8.541 6.043 -7.371 1.00 0.00 C ATOM 680 CD LYS A 50 8.978 7.189 -8.267 1.00 0.00 C ATOM 681 CE LYS A 50 9.263 8.449 -7.463 1.00 0.00 C ATOM 682 NZ LYS A 50 10.046 9.442 -8.248 1.00 0.00 N ATOM 0 H LYS A 50 4.832 5.714 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 50 6.633 3.990 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.518 6.307 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.850 6.926 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.095 6.082 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.786 5.094 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.872 6.899 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.200 7.394 -9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.322 8.898 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.812 8.186 -6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.220 10.286 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.955 9.023 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.511 9.712 -9.098 1.00 0.00 H new ATOM 696 N ASN A 51 8.265 3.612 -5.316 1.00 0.00 N ATOM 697 CA ASN A 51 9.072 3.210 -4.170 1.00 0.00 C ATOM 698 C ASN A 51 10.387 3.983 -4.133 1.00 0.00 C ATOM 699 O ASN A 51 10.775 4.615 -5.114 1.00 0.00 O ATOM 700 CB ASN A 51 9.353 1.707 -4.221 1.00 0.00 C ATOM 701 CG ASN A 51 10.064 1.294 -5.495 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.387 2.130 -6.338 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.312 -0.003 -5.640 1.00 0.00 N ATOM 0 H ASN A 51 8.540 3.180 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 51 8.511 3.438 -3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.961 1.425 -3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.413 1.162 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.788 -0.341 -6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.026 -0.661 -4.915 1.00 0.00 H new ATOM 710 N ASN A 52 11.068 3.927 -2.993 1.00 0.00 N ATOM 711 CA ASN A 52 12.339 4.622 -2.827 1.00 0.00 C ATOM 712 C ASN A 52 13.290 4.298 -3.976 1.00 0.00 C ATOM 713 O ASN A 52 14.029 5.163 -4.446 1.00 0.00 O ATOM 714 CB ASN A 52 12.984 4.238 -1.493 1.00 0.00 C ATOM 715 CG ASN A 52 11.991 4.251 -0.346 1.00 0.00 C ATOM 716 OD1 ASN A 52 11.291 3.268 -0.105 1.00 0.00 O ATOM 717 ND2 ASN A 52 11.927 5.370 0.367 1.00 0.00 N ATOM 0 H ASN A 52 10.761 3.408 -2.171 1.00 0.00 H new ATOM 0 HA ASN A 52 12.142 5.694 -2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.424 3.244 -1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.798 4.929 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.278 5.439 1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.527 6.160 0.131 1.00 0.00 H new ATOM 724 N LYS A 53 13.264 3.047 -4.423 1.00 0.00 N ATOM 725 CA LYS A 53 14.121 2.608 -5.518 1.00 0.00 C ATOM 726 C LYS A 53 13.937 3.498 -6.743 1.00 0.00 C ATOM 727 O LYS A 53 14.869 3.703 -7.519 1.00 0.00 O ATOM 728 CB LYS A 53 13.815 1.153 -5.880 1.00 0.00 C ATOM 729 CG LYS A 53 14.193 0.163 -4.792 1.00 0.00 C ATOM 730 CD LYS A 53 14.046 -1.272 -5.268 1.00 0.00 C ATOM 731 CE LYS A 53 15.241 -1.707 -6.102 1.00 0.00 C ATOM 732 NZ LYS A 53 15.381 -3.189 -6.140 1.00 0.00 N ATOM 0 H LYS A 53 12.659 2.319 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 53 15.157 2.684 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.750 1.057 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.348 0.895 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.222 0.340 -4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.562 0.324 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.941 -1.933 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.134 -1.369 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.133 -1.326 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.150 -1.267 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.207 -3.445 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.510 -3.550 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.524 -3.608 -6.555 1.00 0.00 H new ATOM 746 N GLY A 54 12.728 4.026 -6.910 1.00 0.00 N ATOM 747 CA GLY A 54 12.445 4.888 -8.042 1.00 0.00 C ATOM 748 C GLY A 54 11.549 4.222 -9.068 1.00 0.00 C ATOM 749 O GLY A 54 11.246 4.806 -10.108 1.00 0.00 O ATOM 0 H GLY A 54 11.940 3.872 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.970 5.803 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.382 5.179 -8.517 1.00 0.00 H new ATOM 753 N GLU A 55 11.127 2.996 -8.776 1.00 0.00 N ATOM 754 CA GLU A 55 10.263 2.250 -9.684 1.00 0.00 C ATOM 755 C GLU A 55 8.792 2.527 -9.385 1.00 0.00 C ATOM 756 O GLU A 55 8.407 2.708 -8.231 1.00 0.00 O ATOM 757 CB GLU A 55 10.544 0.750 -9.574 1.00 0.00 C ATOM 758 CG GLU A 55 11.948 0.361 -10.006 1.00 0.00 C ATOM 759 CD GLU A 55 12.127 0.403 -11.511 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.765 -0.587 -12.181 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.629 1.428 -12.020 1.00 0.00 O ATOM 0 H GLU A 55 11.369 2.499 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 55 10.477 2.578 -10.701 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.390 0.435 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.822 0.208 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.667 1.034 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.170 -0.643 -9.645 1.00 0.00 H new ATOM 768 N GLN A 56 7.977 2.557 -10.435 1.00 0.00 N ATOM 769 CA GLN A 56 6.549 2.813 -10.285 1.00 0.00 C ATOM 770 C GLN A 56 5.731 1.601 -10.717 1.00 0.00 C ATOM 771 O GLN A 56 6.062 0.933 -11.696 1.00 0.00 O ATOM 772 CB GLN A 56 6.140 4.038 -11.105 1.00 0.00 C ATOM 773 CG GLN A 56 6.547 5.358 -10.470 1.00 0.00 C ATOM 774 CD GLN A 56 6.793 6.447 -11.495 1.00 0.00 C ATOM 775 OE1 GLN A 56 7.837 6.477 -12.148 1.00 0.00 O ATOM 776 NE2 GLN A 56 5.831 7.350 -11.644 1.00 0.00 N ATOM 0 H GLN A 56 8.281 2.407 -11.397 1.00 0.00 H new ATOM 0 HA GLN A 56 6.349 3.007 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.588 3.968 -12.096 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.059 4.028 -11.243 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.766 5.682 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.451 5.209 -9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.982 7.288 -11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.941 8.106 -12.320 1.00 0.00 H new ATOM 785 N GLY A 57 4.660 1.321 -9.980 1.00 0.00 N ATOM 786 CA GLY A 57 3.812 0.189 -10.303 1.00 0.00 C ATOM 787 C GLY A 57 2.374 0.401 -9.873 1.00 0.00 C ATOM 788 O GLY A 57 2.086 1.272 -9.051 1.00 0.00 O ATOM 0 H GLY A 57 4.365 1.858 -9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.844 0.010 -11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.205 -0.705 -9.819 1.00 0.00 H new ATOM 792 N LEU A 58 1.468 -0.395 -10.429 1.00 0.00 N ATOM 793 CA LEU A 58 0.051 -0.290 -10.100 1.00 0.00 C ATOM 794 C LEU A 58 -0.297 -1.172 -8.905 1.00 0.00 C ATOM 795 O LEU A 58 0.055 -2.351 -8.867 1.00 0.00 O ATOM 796 CB LEU A 58 -0.804 -0.685 -11.305 1.00 0.00 C ATOM 797 CG LEU A 58 -0.721 0.242 -12.519 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.564 -0.300 -13.663 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.166 1.649 -12.146 1.00 0.00 C ATOM 0 H LEU A 58 1.690 -1.121 -11.110 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.159 0.747 -9.837 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.514 -1.688 -11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.845 -0.740 -10.985 1.00 0.00 H new ATOM 0 HG LEU A 58 0.317 0.286 -12.849 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.493 0.373 -14.518 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.200 -1.288 -13.947 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.604 -0.374 -13.345 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.101 2.295 -13.021 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.196 1.623 -11.790 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.520 2.038 -11.359 1.00 0.00 H new ATOM 811 N VAL A 59 -0.993 -0.593 -7.931 1.00 0.00 N ATOM 812 CA VAL A 59 -1.392 -1.327 -6.737 1.00 0.00 C ATOM 813 C VAL A 59 -2.881 -1.153 -6.456 1.00 0.00 C ATOM 814 O VAL A 59 -3.439 -0.064 -6.589 1.00 0.00 O ATOM 815 CB VAL A 59 -0.592 -0.869 -5.503 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.081 -1.585 -4.253 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.896 -1.107 -5.715 1.00 0.00 C ATOM 0 H VAL A 59 -1.292 0.382 -7.946 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.181 -2.379 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.751 0.201 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.504 -1.248 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.136 -1.360 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.954 -2.661 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.446 -0.778 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.075 -2.170 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.234 -0.544 -6.585 1.00 0.00 H new ATOM 827 N PRO A 60 -3.540 -2.251 -6.058 1.00 0.00 N ATOM 828 CA PRO A 60 -4.973 -2.245 -5.750 1.00 0.00 C ATOM 829 C PRO A 60 -5.288 -1.474 -4.472 1.00 0.00 C ATOM 830 O PRO A 60 -4.758 -1.779 -3.403 1.00 0.00 O ATOM 831 CB PRO A 60 -5.304 -3.729 -5.574 1.00 0.00 C ATOM 832 CG PRO A 60 -4.015 -4.360 -5.175 1.00 0.00 C ATOM 833 CD PRO A 60 -2.938 -3.583 -5.879 1.00 0.00 C ATOM 0 HA PRO A 60 -5.555 -1.754 -6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.069 -3.876 -4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.687 -4.161 -6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.880 -4.322 -4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.989 -5.411 -5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.025 -3.535 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.674 -4.037 -6.834 1.00 0.00 H new ATOM 841 N THR A 61 -6.155 -0.473 -4.589 1.00 0.00 N ATOM 842 CA THR A 61 -6.540 0.342 -3.444 1.00 0.00 C ATOM 843 C THR A 61 -7.083 -0.522 -2.312 1.00 0.00 C ATOM 844 O THR A 61 -7.098 -0.107 -1.153 1.00 0.00 O ATOM 845 CB THR A 61 -7.601 1.389 -3.831 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.868 0.752 -4.028 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.196 2.127 -5.097 1.00 0.00 C ATOM 0 H THR A 61 -6.604 -0.207 -5.466 1.00 0.00 H new ATOM 0 HA THR A 61 -5.641 0.856 -3.105 1.00 0.00 H new ATOM 0 HB THR A 61 -7.681 2.111 -3.019 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.538 1.424 -4.272 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.961 2.861 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.245 2.635 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.091 1.415 -5.916 1.00 0.00 H new ATOM 855 N ASP A 62 -7.529 -1.726 -2.654 1.00 0.00 N ATOM 856 CA ASP A 62 -8.073 -2.650 -1.666 1.00 0.00 C ATOM 857 C ASP A 62 -6.977 -3.150 -0.730 1.00 0.00 C ATOM 858 O ASP A 62 -7.239 -3.488 0.425 1.00 0.00 O ATOM 859 CB ASP A 62 -8.748 -3.834 -2.360 1.00 0.00 C ATOM 860 CG ASP A 62 -9.222 -4.887 -1.378 1.00 0.00 C ATOM 861 OD1 ASP A 62 -9.951 -4.528 -0.428 1.00 0.00 O ATOM 862 OD2 ASP A 62 -8.866 -6.070 -1.559 1.00 0.00 O ATOM 0 H ASP A 62 -7.524 -2.085 -3.609 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.816 -2.115 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.597 -3.475 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.049 -4.286 -3.063 1.00 0.00 H new ATOM 867 N TYR A 63 -5.750 -3.197 -1.236 1.00 0.00 N ATOM 868 CA TYR A 63 -4.615 -3.659 -0.446 1.00 0.00 C ATOM 869 C TYR A 63 -3.969 -2.502 0.310 1.00 0.00 C ATOM 870 O TYR A 63 -3.185 -2.711 1.236 1.00 0.00 O ATOM 871 CB TYR A 63 -3.580 -4.334 -1.348 1.00 0.00 C ATOM 872 CG TYR A 63 -4.020 -5.683 -1.870 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.127 -5.801 -2.702 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.330 -6.840 -1.531 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.534 -7.032 -3.180 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.728 -8.075 -2.006 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.830 -8.165 -2.830 1.00 0.00 C ATOM 878 OH TYR A 63 -5.231 -9.393 -3.305 1.00 0.00 O ATOM 0 H TYR A 63 -5.516 -2.921 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.982 -4.384 0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.365 -3.680 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.650 -4.454 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.679 -4.915 -2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.467 -6.773 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.398 -7.106 -3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.179 -8.964 -1.734 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.628 -10.088 -2.966 1.00 0.00 H new ATOM 888 N VAL A 64 -4.305 -1.280 -0.092 1.00 0.00 N ATOM 889 CA VAL A 64 -3.760 -0.089 0.547 1.00 0.00 C ATOM 890 C VAL A 64 -4.767 1.055 0.525 1.00 0.00 C ATOM 891 O VAL A 64 -5.295 1.411 -0.528 1.00 0.00 O ATOM 892 CB VAL A 64 -2.461 0.373 -0.140 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.597 -0.824 -0.507 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.778 1.210 -1.370 1.00 0.00 C ATOM 0 H VAL A 64 -4.952 -1.090 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.540 -0.357 1.580 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.901 0.994 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.684 -0.479 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.342 -1.379 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.146 -1.474 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.849 1.528 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.359 0.615 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.354 2.087 -1.075 1.00 0.00 H new ATOM 904 N GLU A 65 -5.029 1.629 1.696 1.00 0.00 N ATOM 905 CA GLU A 65 -5.974 2.733 1.811 1.00 0.00 C ATOM 906 C GLU A 65 -5.245 4.049 2.069 1.00 0.00 C ATOM 907 O GLU A 65 -4.603 4.222 3.105 1.00 0.00 O ATOM 908 CB GLU A 65 -6.974 2.463 2.937 1.00 0.00 C ATOM 909 CG GLU A 65 -8.141 3.435 2.960 1.00 0.00 C ATOM 910 CD GLU A 65 -9.247 3.043 2.000 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.287 1.865 1.589 1.00 0.00 O ATOM 912 OE2 GLU A 65 -10.073 3.916 1.659 1.00 0.00 O ATOM 0 H GLU A 65 -4.600 1.347 2.577 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.513 2.815 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.359 1.448 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.453 2.511 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.545 3.488 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.783 4.433 2.707 1.00 0.00 H new ATOM 919 N ILE A 66 -5.348 4.972 1.119 1.00 0.00 N ATOM 920 CA ILE A 66 -4.700 6.271 1.243 1.00 0.00 C ATOM 921 C ILE A 66 -5.117 6.973 2.530 1.00 0.00 C ATOM 922 O ILE A 66 -6.300 7.016 2.872 1.00 0.00 O ATOM 923 CB ILE A 66 -5.029 7.182 0.045 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.627 6.502 -1.266 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.326 8.523 0.190 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.049 7.270 -2.499 1.00 0.00 C ATOM 0 H ILE A 66 -5.874 4.844 0.255 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.626 6.086 1.264 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.104 7.358 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.545 6.372 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.068 5.506 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.568 9.155 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.657 9.010 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.248 8.366 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.731 6.730 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.134 7.378 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.587 8.257 -2.489 1.00 0.00 H new ATOM 938 N LEU A 67 -4.140 7.524 3.241 1.00 0.00 N ATOM 939 CA LEU A 67 -4.405 8.228 4.491 1.00 0.00 C ATOM 940 C LEU A 67 -4.647 9.713 4.240 1.00 0.00 C ATOM 941 O LEU A 67 -4.041 10.326 3.361 1.00 0.00 O ATOM 942 CB LEU A 67 -3.234 8.047 5.459 1.00 0.00 C ATOM 943 CG LEU A 67 -2.718 6.618 5.628 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.301 6.624 6.181 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.643 5.820 6.535 1.00 0.00 C ATOM 0 H LEU A 67 -3.156 7.497 2.973 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.305 7.803 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.408 8.672 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.536 8.421 6.437 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.702 6.140 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.950 5.598 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.645 7.158 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.291 7.120 7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.260 4.805 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.692 6.296 7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.641 5.786 6.098 1.00 0.00 H new ATOM 957 N PRO A 68 -5.553 10.306 5.031 1.00 0.00 N ATOM 958 CA PRO A 68 -5.895 11.727 4.915 1.00 0.00 C ATOM 959 C PRO A 68 -4.758 12.636 5.370 1.00 0.00 C ATOM 960 O PRO A 68 -3.740 12.165 5.876 1.00 0.00 O ATOM 961 CB PRO A 68 -7.104 11.878 5.842 1.00 0.00 C ATOM 962 CG PRO A 68 -6.959 10.778 6.836 1.00 0.00 C ATOM 963 CD PRO A 68 -6.314 9.637 6.099 1.00 0.00 C ATOM 0 HA PRO A 68 -6.094 12.015 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.110 12.853 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.040 11.792 5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.346 11.093 7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.929 10.485 7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.663 9.054 6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.057 8.950 5.693 1.00 0.00 H new