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 Set 1.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 18:sc= 0.25 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 38 THR OG1 : rot 157:sc= 0.914 USER MOD Single : A 39 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.11 K(o=-2.1,f=-12!) USER MOD Single : A 52 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.32) USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.517) USER MOD Single : A 56 GLN : amide:sc= -1.03 K(o=-1,f=-2) USER MOD Single : A 61 THR OG1 : rot -107:sc= 0.625 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 1.255 12.769 -0.869 1.00 0.00 N ATOM 94 CA THR A 10 0.249 11.753 -0.586 1.00 0.00 C ATOM 95 C THR A 10 0.898 10.410 -0.270 1.00 0.00 C ATOM 96 O THR A 10 1.602 9.838 -1.102 1.00 0.00 O ATOM 97 CB THR A 10 -0.720 11.576 -1.770 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.112 12.856 -2.278 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.954 10.793 -1.348 1.00 0.00 C ATOM 0 HA THR A 10 -0.311 12.097 0.284 1.00 0.00 H new ATOM 0 HB THR A 10 -0.205 11.017 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.476 13.537 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.623 10.681 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.655 9.808 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.469 11.328 -0.550 1.00 0.00 H new ATOM 107 N LYS A 11 0.657 9.911 0.938 1.00 0.00 N ATOM 108 CA LYS A 11 1.216 8.634 1.364 1.00 0.00 C ATOM 109 C LYS A 11 0.110 7.615 1.623 1.00 0.00 C ATOM 110 O LYS A 11 -0.975 7.967 2.085 1.00 0.00 O ATOM 111 CB LYS A 11 2.060 8.819 2.627 1.00 0.00 C ATOM 112 CG LYS A 11 3.236 9.761 2.439 1.00 0.00 C ATOM 113 CD LYS A 11 4.394 9.074 1.734 1.00 0.00 C ATOM 114 CE LYS A 11 5.617 9.976 1.662 1.00 0.00 C ATOM 115 NZ LYS A 11 5.532 10.936 0.527 1.00 0.00 N ATOM 0 H LYS A 11 0.078 10.372 1.639 1.00 0.00 H new ATOM 0 HA LYS A 11 1.851 8.258 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.424 9.200 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.432 7.847 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.919 10.628 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.567 10.129 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.649 8.155 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.091 8.789 0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.717 10.527 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.513 9.365 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.384 11.532 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.462 10.410 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.691 11.537 0.643 1.00 0.00 H new ATOM 129 N ALA A 12 0.394 6.352 1.325 1.00 0.00 N ATOM 130 CA ALA A 12 -0.575 5.282 1.530 1.00 0.00 C ATOM 131 C ALA A 12 -0.025 4.215 2.470 1.00 0.00 C ATOM 132 O ALA A 12 1.180 3.965 2.504 1.00 0.00 O ATOM 133 CB ALA A 12 -0.967 4.662 0.197 1.00 0.00 C ATOM 0 H ALA A 12 1.287 6.044 0.941 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.463 5.714 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.691 3.865 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.410 5.425 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.081 4.251 -0.288 1.00 0.00 H new ATOM 139 N ARG A 13 -0.915 3.590 3.234 1.00 0.00 N ATOM 140 CA ARG A 13 -0.518 2.551 4.176 1.00 0.00 C ATOM 141 C ARG A 13 -1.041 1.187 3.735 1.00 0.00 C ATOM 142 O ARG A 13 -2.239 1.012 3.513 1.00 0.00 O ATOM 143 CB ARG A 13 -1.036 2.879 5.578 1.00 0.00 C ATOM 144 CG ARG A 13 -0.394 2.046 6.675 1.00 0.00 C ATOM 145 CD ARG A 13 -1.156 2.167 7.985 1.00 0.00 C ATOM 146 NE ARG A 13 -0.737 3.334 8.756 1.00 0.00 N ATOM 147 CZ ARG A 13 0.362 3.366 9.501 1.00 0.00 C ATOM 148 NH1 ARG A 13 1.149 2.302 9.575 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.677 4.466 10.174 1.00 0.00 N ATOM 0 H ARG A 13 -1.916 3.785 3.219 1.00 0.00 H new ATOM 0 HA ARG A 13 0.571 2.513 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.858 3.935 5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.115 2.727 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.361 1.001 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.637 2.368 6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.224 2.234 7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.002 1.266 8.579 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.320 4.170 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.911 1.455 9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.992 2.330 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.075 5.287 10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.521 4.490 10.746 1.00 0.00 H new ATOM 163 N VAL A 14 -0.134 0.224 3.609 1.00 0.00 N ATOM 164 CA VAL A 14 -0.504 -1.125 3.195 1.00 0.00 C ATOM 165 C VAL A 14 -1.193 -1.878 4.327 1.00 0.00 C ATOM 166 O VAL A 14 -0.716 -1.885 5.462 1.00 0.00 O ATOM 167 CB VAL A 14 0.727 -1.927 2.733 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.300 -3.234 2.083 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.575 -1.100 1.779 1.00 0.00 C ATOM 0 H VAL A 14 0.862 0.352 3.787 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.196 -1.021 2.359 1.00 0.00 H new ATOM 0 HB VAL A 14 1.333 -2.165 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.183 -3.787 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.261 -3.831 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.328 -3.022 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.440 -1.683 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.981 -0.829 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.912 -0.194 2.283 1.00 0.00 H new ATOM 179 N MET A 15 -2.317 -2.512 4.010 1.00 0.00 N ATOM 180 CA MET A 15 -3.071 -3.271 5.001 1.00 0.00 C ATOM 181 C MET A 15 -2.778 -4.763 4.882 1.00 0.00 C ATOM 182 O MET A 15 -2.871 -5.504 5.861 1.00 0.00 O ATOM 183 CB MET A 15 -4.571 -3.019 4.834 1.00 0.00 C ATOM 184 CG MET A 15 -4.918 -1.561 4.583 1.00 0.00 C ATOM 185 SD MET A 15 -6.570 -1.130 5.162 1.00 0.00 S ATOM 186 CE MET A 15 -7.583 -1.922 3.915 1.00 0.00 C ATOM 0 H MET A 15 -2.726 -2.515 3.075 1.00 0.00 H new ATOM 0 HA MET A 15 -2.761 -2.936 5.991 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.942 -3.620 4.004 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.090 -3.358 5.730 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.185 -0.926 5.082 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.846 -1.353 3.515 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.636 -1.745 4.135 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.343 -1.509 2.935 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.387 -2.994 3.915 1.00 0.00 H new ATOM 196 N TYR A 16 -2.423 -5.198 3.678 1.00 0.00 N ATOM 197 CA TYR A 16 -2.119 -6.602 3.431 1.00 0.00 C ATOM 198 C TYR A 16 -0.903 -6.744 2.520 1.00 0.00 C ATOM 199 O TYR A 16 -0.897 -6.253 1.392 1.00 0.00 O ATOM 200 CB TYR A 16 -3.325 -7.304 2.803 1.00 0.00 C ATOM 201 CG TYR A 16 -4.637 -6.974 3.478 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.903 -7.406 4.771 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.610 -6.229 2.823 1.00 0.00 C ATOM 204 CE1 TYR A 16 -6.101 -7.108 5.392 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.810 -5.925 3.436 1.00 0.00 C ATOM 206 CZ TYR A 16 -7.051 -6.367 4.720 1.00 0.00 C ATOM 207 OH TYR A 16 -8.244 -6.066 5.335 1.00 0.00 O ATOM 0 H TYR A 16 -2.339 -4.598 2.858 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.891 -7.072 4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.388 -7.028 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.168 -8.382 2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.161 -7.985 5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.425 -5.882 1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.292 -7.453 6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.555 -5.344 2.913 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.801 -5.537 4.727 1.00 0.00 H new ATOM 217 N ASP A 17 0.125 -7.420 3.020 1.00 0.00 N ATOM 218 CA ASP A 17 1.348 -7.630 2.253 1.00 0.00 C ATOM 219 C ASP A 17 1.028 -8.131 0.848 1.00 0.00 C ATOM 220 O ASP A 17 0.454 -9.206 0.676 1.00 0.00 O ATOM 221 CB ASP A 17 2.259 -8.628 2.968 1.00 0.00 C ATOM 222 CG ASP A 17 1.490 -9.790 3.565 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.602 -10.331 2.874 1.00 0.00 O ATOM 224 OD2 ASP A 17 1.775 -10.159 4.724 1.00 0.00 O ATOM 0 H ASP A 17 0.136 -7.832 3.953 1.00 0.00 H new ATOM 0 HA ASP A 17 1.864 -6.674 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.999 -9.009 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.806 -8.114 3.758 1.00 0.00 H new ATOM 229 N PHE A 18 1.404 -7.343 -0.155 1.00 0.00 N ATOM 230 CA PHE A 18 1.155 -7.706 -1.546 1.00 0.00 C ATOM 231 C PHE A 18 2.460 -8.043 -2.261 1.00 0.00 C ATOM 232 O PHE A 18 3.501 -7.444 -1.992 1.00 0.00 O ATOM 233 CB PHE A 18 0.442 -6.564 -2.273 1.00 0.00 C ATOM 234 CG PHE A 18 0.157 -6.858 -3.717 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.649 -7.927 -4.074 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.696 -6.067 -4.719 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.914 -8.201 -5.403 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.434 -6.336 -6.049 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.371 -7.405 -6.392 1.00 0.00 C ATOM 0 H PHE A 18 1.882 -6.450 -0.031 1.00 0.00 H new ATOM 0 HA PHE A 18 0.516 -8.589 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.497 -6.349 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.054 -5.664 -2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.075 -8.554 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.328 -5.231 -4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.545 -9.037 -5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.859 -5.710 -6.820 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.575 -7.618 -7.431 1.00 0.00 H new ATOM 249 N ALA A 19 2.396 -9.006 -3.174 1.00 0.00 N ATOM 250 CA ALA A 19 3.570 -9.423 -3.930 1.00 0.00 C ATOM 251 C ALA A 19 3.386 -9.160 -5.420 1.00 0.00 C ATOM 252 O ALA A 19 2.572 -9.808 -6.078 1.00 0.00 O ATOM 253 CB ALA A 19 3.862 -10.896 -3.683 1.00 0.00 C ATOM 0 H ALA A 19 1.542 -9.513 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 19 4.420 -8.834 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.741 -11.193 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.047 -11.057 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.006 -11.494 -3.997 1.00 0.00 H new ATOM 259 N ALA A 20 4.146 -8.205 -5.947 1.00 0.00 N ATOM 260 CA ALA A 20 4.067 -7.858 -7.360 1.00 0.00 C ATOM 261 C ALA A 20 4.880 -8.828 -8.210 1.00 0.00 C ATOM 262 O ALA A 20 5.852 -9.417 -7.738 1.00 0.00 O ATOM 263 CB ALA A 20 4.546 -6.431 -7.581 1.00 0.00 C ATOM 0 H ALA A 20 4.824 -7.658 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 20 3.024 -7.931 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.481 -6.186 -8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.920 -5.745 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.580 -6.339 -7.250 1.00 0.00 H new ATOM 319 N ASN A 25 3.623 -4.780 -14.710 1.00 0.00 N ATOM 320 CA ASN A 25 4.071 -3.515 -14.140 1.00 0.00 C ATOM 321 C ASN A 25 3.422 -3.270 -12.781 1.00 0.00 C ATOM 322 O ASN A 25 2.576 -2.388 -12.636 1.00 0.00 O ATOM 323 CB ASN A 25 3.743 -2.360 -15.088 1.00 0.00 C ATOM 324 CG ASN A 25 4.797 -2.179 -16.164 1.00 0.00 C ATOM 325 OD1 ASN A 25 5.995 -2.182 -15.882 1.00 0.00 O ATOM 326 ND2 ASN A 25 4.353 -2.021 -17.406 1.00 0.00 N ATOM 0 HA ASN A 25 5.151 -3.570 -14.003 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.776 -2.542 -15.557 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.651 -1.438 -14.515 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.015 -1.896 -18.172 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.350 -2.025 -17.594 1.00 0.00 H new ATOM 333 N GLU A 26 3.824 -4.058 -11.788 1.00 0.00 N ATOM 334 CA GLU A 26 3.282 -3.927 -10.441 1.00 0.00 C ATOM 335 C GLU A 26 4.398 -3.710 -9.424 1.00 0.00 C ATOM 336 O GLU A 26 5.494 -4.254 -9.562 1.00 0.00 O ATOM 337 CB GLU A 26 2.473 -5.172 -10.070 1.00 0.00 C ATOM 338 CG GLU A 26 1.153 -5.285 -10.814 1.00 0.00 C ATOM 339 CD GLU A 26 0.131 -6.118 -10.066 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.388 -7.322 -9.854 1.00 0.00 O ATOM 341 OE2 GLU A 26 -0.925 -5.568 -9.692 1.00 0.00 O ATOM 0 H GLU A 26 4.523 -4.794 -11.892 1.00 0.00 H new ATOM 0 HA GLU A 26 2.625 -3.057 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.073 -6.059 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.276 -5.161 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.749 -4.287 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.330 -5.728 -11.794 1.00 0.00 H new ATOM 348 N LEU A 27 4.111 -2.911 -8.402 1.00 0.00 N ATOM 349 CA LEU A 27 5.090 -2.620 -7.360 1.00 0.00 C ATOM 350 C LEU A 27 4.877 -3.519 -6.147 1.00 0.00 C ATOM 351 O LEU A 27 3.759 -3.656 -5.650 1.00 0.00 O ATOM 352 CB LEU A 27 4.999 -1.151 -6.943 1.00 0.00 C ATOM 353 CG LEU A 27 6.170 -0.613 -6.119 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.326 -0.221 -7.027 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.727 0.572 -5.274 1.00 0.00 C ATOM 0 H LEU A 27 3.209 -2.453 -8.273 1.00 0.00 H new ATOM 0 HA LEU A 27 6.083 -2.815 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.905 -0.544 -7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.083 -1.013 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 27 6.512 -1.403 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.150 0.160 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.660 -1.094 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.997 0.553 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.573 0.942 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.358 1.365 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.932 0.259 -4.597 1.00 0.00 H new ATOM 367 N THR A 28 5.959 -4.130 -5.672 1.00 0.00 N ATOM 368 CA THR A 28 5.891 -5.015 -4.516 1.00 0.00 C ATOM 369 C THR A 28 5.883 -4.220 -3.215 1.00 0.00 C ATOM 370 O THR A 28 6.801 -3.447 -2.942 1.00 0.00 O ATOM 371 CB THR A 28 7.073 -6.002 -4.494 1.00 0.00 C ATOM 372 OG1 THR A 28 7.089 -6.774 -5.700 1.00 0.00 O ATOM 373 CG2 THR A 28 6.981 -6.930 -3.292 1.00 0.00 C ATOM 0 H THR A 28 6.892 -4.028 -6.071 1.00 0.00 H new ATOM 0 HA THR A 28 4.960 -5.576 -4.602 1.00 0.00 H new ATOM 0 HB THR A 28 7.996 -5.428 -4.419 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.844 -7.398 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.826 -7.618 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.999 -6.341 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.051 -7.497 -3.341 1.00 0.00 H new ATOM 381 N VAL A 29 4.841 -4.417 -2.413 1.00 0.00 N ATOM 382 CA VAL A 29 4.715 -3.720 -1.139 1.00 0.00 C ATOM 383 C VAL A 29 4.516 -4.704 0.008 1.00 0.00 C ATOM 384 O VAL A 29 4.372 -5.907 -0.208 1.00 0.00 O ATOM 385 CB VAL A 29 3.539 -2.725 -1.157 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.721 -1.703 -2.269 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.219 -3.464 -1.312 1.00 0.00 C ATOM 0 H VAL A 29 4.072 -5.054 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 29 5.644 -3.170 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 29 3.522 -2.192 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.881 -1.009 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.648 -1.152 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.765 -2.215 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.399 -2.746 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.223 -4.024 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.087 -4.153 -0.477 1.00 0.00 H new ATOM 397 N THR A 30 4.508 -4.184 1.232 1.00 0.00 N ATOM 398 CA THR A 30 4.327 -5.016 2.415 1.00 0.00 C ATOM 399 C THR A 30 3.404 -4.343 3.425 1.00 0.00 C ATOM 400 O THR A 30 3.303 -3.118 3.466 1.00 0.00 O ATOM 401 CB THR A 30 5.674 -5.326 3.095 1.00 0.00 C ATOM 402 OG1 THR A 30 6.340 -4.107 3.441 1.00 0.00 O ATOM 403 CG2 THR A 30 6.564 -6.154 2.180 1.00 0.00 C ATOM 0 H THR A 30 4.625 -3.190 1.429 1.00 0.00 H new ATOM 0 HA THR A 30 3.875 -5.949 2.079 1.00 0.00 H new ATOM 0 HB THR A 30 5.475 -5.900 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.195 -4.313 3.874 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.509 -6.361 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.067 -7.094 1.942 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.754 -5.601 1.260 1.00 0.00 H new ATOM 411 N GLU A 31 2.734 -5.154 4.238 1.00 0.00 N ATOM 412 CA GLU A 31 1.819 -4.635 5.248 1.00 0.00 C ATOM 413 C GLU A 31 2.558 -3.751 6.249 1.00 0.00 C ATOM 414 O GLU A 31 3.469 -4.205 6.939 1.00 0.00 O ATOM 415 CB GLU A 31 1.126 -5.786 5.980 1.00 0.00 C ATOM 416 CG GLU A 31 0.268 -5.334 7.150 1.00 0.00 C ATOM 417 CD GLU A 31 -0.014 -6.454 8.133 1.00 0.00 C ATOM 418 OE1 GLU A 31 0.900 -6.805 8.909 1.00 0.00 O ATOM 419 OE2 GLU A 31 -1.146 -6.979 8.127 1.00 0.00 O ATOM 0 H GLU A 31 2.807 -6.171 4.217 1.00 0.00 H new ATOM 0 HA GLU A 31 1.066 -4.030 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.502 -6.332 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.882 -6.483 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.769 -4.517 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.676 -4.940 6.773 1.00 0.00 H new ATOM 426 N GLY A 32 2.157 -2.486 6.321 1.00 0.00 N ATOM 427 CA GLY A 32 2.791 -1.558 7.240 1.00 0.00 C ATOM 428 C GLY A 32 3.752 -0.617 6.541 1.00 0.00 C ATOM 429 O GLY A 32 4.126 0.418 7.091 1.00 0.00 O ATOM 0 H GLY A 32 1.405 -2.087 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.024 -0.976 7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.328 -2.119 8.005 1.00 0.00 H new ATOM 433 N GLU A 33 4.154 -0.978 5.326 1.00 0.00 N ATOM 434 CA GLU A 33 5.079 -0.158 4.554 1.00 0.00 C ATOM 435 C GLU A 33 4.362 1.042 3.940 1.00 0.00 C ATOM 436 O GLU A 33 3.184 0.962 3.592 1.00 0.00 O ATOM 437 CB GLU A 33 5.736 -0.992 3.451 1.00 0.00 C ATOM 438 CG GLU A 33 6.728 -0.210 2.606 1.00 0.00 C ATOM 439 CD GLU A 33 7.818 -1.089 2.025 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.482 -1.806 2.803 1.00 0.00 O ATOM 441 OE2 GLU A 33 8.008 -1.060 0.791 1.00 0.00 O ATOM 0 H GLU A 33 3.854 -1.832 4.856 1.00 0.00 H new ATOM 0 HA GLU A 33 5.850 0.209 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.248 -1.841 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.959 -1.398 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.196 0.287 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.182 0.571 3.215 1.00 0.00 H new ATOM 448 N ILE A 34 5.082 2.151 3.812 1.00 0.00 N ATOM 449 CA ILE A 34 4.515 3.366 3.240 1.00 0.00 C ATOM 450 C ILE A 34 5.131 3.674 1.880 1.00 0.00 C ATOM 451 O ILE A 34 6.290 3.346 1.624 1.00 0.00 O ATOM 452 CB ILE A 34 4.723 4.576 4.170 1.00 0.00 C ATOM 453 CG1 ILE A 34 4.202 4.263 5.575 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.028 5.805 3.604 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.708 4.447 5.720 1.00 0.00 C ATOM 0 H ILE A 34 6.058 2.233 4.096 1.00 0.00 H new ATOM 0 HA ILE A 34 3.446 3.188 3.120 1.00 0.00 H new ATOM 0 HB ILE A 34 5.791 4.785 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.460 3.235 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.711 4.905 6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.184 6.652 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.441 6.037 2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.960 5.608 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.409 4.208 6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.446 5.481 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.191 3.785 5.026 1.00 0.00 H new ATOM 467 N ILE A 35 4.349 4.306 1.011 1.00 0.00 N ATOM 468 CA ILE A 35 4.819 4.660 -0.322 1.00 0.00 C ATOM 469 C ILE A 35 4.231 5.991 -0.777 1.00 0.00 C ATOM 470 O ILE A 35 3.417 6.595 -0.077 1.00 0.00 O ATOM 471 CB ILE A 35 4.460 3.574 -1.353 1.00 0.00 C ATOM 472 CG1 ILE A 35 2.945 3.363 -1.397 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.172 2.271 -1.020 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.470 2.649 -2.643 1.00 0.00 C ATOM 0 H ILE A 35 3.387 4.583 1.207 1.00 0.00 H new ATOM 0 HA ILE A 35 5.904 4.747 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 35 4.791 3.905 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.641 2.790 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.449 4.332 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.908 1.513 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.250 2.431 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.869 1.934 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.387 2.534 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.743 3.232 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.937 1.666 -2.699 1.00 0.00 H new ATOM 486 N THR A 36 4.647 6.444 -1.956 1.00 0.00 N ATOM 487 CA THR A 36 4.161 7.704 -2.505 1.00 0.00 C ATOM 488 C THR A 36 3.095 7.465 -3.568 1.00 0.00 C ATOM 489 O THR A 36 3.298 6.690 -4.502 1.00 0.00 O ATOM 490 CB THR A 36 5.308 8.527 -3.121 1.00 0.00 C ATOM 491 OG1 THR A 36 6.428 8.552 -2.229 1.00 0.00 O ATOM 492 CG2 THR A 36 4.856 9.950 -3.414 1.00 0.00 C ATOM 0 H THR A 36 5.319 5.957 -2.549 1.00 0.00 H new ATOM 0 HA THR A 36 3.726 8.263 -1.677 1.00 0.00 H new ATOM 0 HB THR A 36 5.601 8.055 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.153 9.076 -2.629 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.683 10.512 -3.848 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.022 9.930 -4.116 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.539 10.429 -2.488 1.00 0.00 H new ATOM 500 N VAL A 37 1.957 8.136 -3.419 1.00 0.00 N ATOM 501 CA VAL A 37 0.859 7.998 -4.368 1.00 0.00 C ATOM 502 C VAL A 37 0.955 9.041 -5.476 1.00 0.00 C ATOM 503 O VAL A 37 0.892 10.244 -5.219 1.00 0.00 O ATOM 504 CB VAL A 37 -0.507 8.133 -3.668 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.637 8.046 -4.682 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.662 7.068 -2.593 1.00 0.00 C ATOM 0 H VAL A 37 1.772 8.780 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 37 0.940 7.002 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.555 9.111 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.594 8.143 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.533 8.849 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.595 7.084 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.632 7.178 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.593 6.080 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.129 7.182 -1.851 1.00 0.00 H new ATOM 516 N THR A 38 1.107 8.572 -6.711 1.00 0.00 N ATOM 517 CA THR A 38 1.212 9.464 -7.859 1.00 0.00 C ATOM 518 C THR A 38 -0.092 9.502 -8.647 1.00 0.00 C ATOM 519 O THR A 38 -0.626 10.573 -8.930 1.00 0.00 O ATOM 520 CB THR A 38 2.355 9.036 -8.799 1.00 0.00 C ATOM 521 OG1 THR A 38 2.193 7.663 -9.174 1.00 0.00 O ATOM 522 CG2 THR A 38 3.707 9.228 -8.129 1.00 0.00 C ATOM 0 H THR A 38 1.160 7.580 -6.941 1.00 0.00 H new ATOM 0 HA THR A 38 1.426 10.459 -7.468 1.00 0.00 H new ATOM 0 HB THR A 38 2.317 9.662 -9.690 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.664 7.496 -10.017 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.499 8.919 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.839 10.279 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.753 8.624 -7.223 1.00 0.00 H new ATOM 530 N ASN A 39 -0.600 8.325 -8.998 1.00 0.00 N ATOM 531 CA ASN A 39 -1.843 8.224 -9.755 1.00 0.00 C ATOM 532 C ASN A 39 -2.889 7.429 -8.979 1.00 0.00 C ATOM 533 O ASN A 39 -3.088 6.235 -9.203 1.00 0.00 O ATOM 534 CB ASN A 39 -1.587 7.565 -11.111 1.00 0.00 C ATOM 535 CG ASN A 39 -2.690 7.852 -12.111 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.242 8.952 -12.144 1.00 0.00 O ATOM 537 ND2 ASN A 39 -3.017 6.862 -12.933 1.00 0.00 N ATOM 0 H ASN A 39 -0.171 7.428 -8.771 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.224 9.232 -9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.637 7.920 -11.511 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.494 6.487 -10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.752 6.997 -13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.533 5.966 -12.871 1.00 0.00 H new ATOM 544 N PRO A 40 -3.574 8.105 -8.045 1.00 0.00 N ATOM 545 CA PRO A 40 -4.611 7.482 -7.218 1.00 0.00 C ATOM 546 C PRO A 40 -5.860 7.132 -8.021 1.00 0.00 C ATOM 547 O PRO A 40 -6.628 6.250 -7.639 1.00 0.00 O ATOM 548 CB PRO A 40 -4.929 8.558 -6.177 1.00 0.00 C ATOM 549 CG PRO A 40 -4.560 9.843 -6.835 1.00 0.00 C ATOM 550 CD PRO A 40 -3.389 9.530 -7.725 1.00 0.00 C ATOM 0 HA PRO A 40 -4.276 6.538 -6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.984 8.543 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.358 8.404 -5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.395 10.239 -7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.297 10.599 -6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.391 10.147 -8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.440 9.708 -7.218 1.00 0.00 H new ATOM 558 N ASN A 41 -6.056 7.829 -9.135 1.00 0.00 N ATOM 559 CA ASN A 41 -7.212 7.591 -9.992 1.00 0.00 C ATOM 560 C ASN A 41 -6.787 6.972 -11.320 1.00 0.00 C ATOM 561 O ASN A 41 -6.946 7.578 -12.379 1.00 0.00 O ATOM 562 CB ASN A 41 -7.964 8.900 -10.245 1.00 0.00 C ATOM 563 CG ASN A 41 -8.965 9.213 -9.149 1.00 0.00 C ATOM 564 OD1 ASN A 41 -8.727 8.926 -7.976 1.00 0.00 O ATOM 565 ND2 ASN A 41 -10.092 9.803 -9.529 1.00 0.00 N ATOM 0 H ASN A 41 -5.430 8.563 -9.466 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.874 6.892 -9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.248 9.718 -10.324 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.484 8.838 -11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.804 10.037 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.246 10.022 -10.513 1.00 0.00 H new ATOM 572 N VAL A 42 -6.246 5.759 -11.255 1.00 0.00 N ATOM 573 CA VAL A 42 -5.800 5.056 -12.451 1.00 0.00 C ATOM 574 C VAL A 42 -6.945 4.872 -13.440 1.00 0.00 C ATOM 575 O VAL A 42 -6.892 5.363 -14.567 1.00 0.00 O ATOM 576 CB VAL A 42 -5.210 3.676 -12.104 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.672 2.995 -13.353 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.121 3.813 -11.051 1.00 0.00 C ATOM 0 H VAL A 42 -6.106 5.243 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.024 5.671 -12.908 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.005 3.053 -11.694 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.259 2.022 -13.088 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.480 2.863 -14.072 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.890 3.612 -13.796 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.715 2.829 -10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.325 4.453 -11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.542 4.256 -10.148 1.00 0.00 H new ATOM 588 N GLY A 43 -7.983 4.160 -13.010 1.00 0.00 N ATOM 589 CA GLY A 43 -9.128 3.924 -13.870 1.00 0.00 C ATOM 590 C GLY A 43 -10.023 2.816 -13.352 1.00 0.00 C ATOM 591 O GLY A 43 -11.186 3.049 -13.026 1.00 0.00 O ATOM 0 H GLY A 43 -8.051 3.743 -12.082 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.707 4.843 -13.959 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.780 3.668 -14.871 1.00 0.00 H new ATOM 595 N GLY A 44 -9.480 1.604 -13.279 1.00 0.00 N ATOM 596 CA GLY A 44 -10.253 0.474 -12.798 1.00 0.00 C ATOM 597 C GLY A 44 -10.317 0.417 -11.285 1.00 0.00 C ATOM 598 O GLY A 44 -10.578 -0.637 -10.706 1.00 0.00 O ATOM 0 H GLY A 44 -8.520 1.385 -13.544 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.265 0.533 -13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.814 -0.450 -13.175 1.00 0.00 H new ATOM 602 N GLY A 45 -10.078 1.555 -10.640 1.00 0.00 N ATOM 603 CA GLY A 45 -10.113 1.608 -9.190 1.00 0.00 C ATOM 604 C GLY A 45 -8.766 1.301 -8.566 1.00 0.00 C ATOM 605 O GLY A 45 -8.677 1.034 -7.368 1.00 0.00 O ATOM 0 H GLY A 45 -9.861 2.441 -11.096 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.439 2.599 -8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.852 0.896 -8.821 1.00 0.00 H new ATOM 609 N TRP A 46 -7.717 1.336 -9.379 1.00 0.00 N ATOM 610 CA TRP A 46 -6.368 1.057 -8.900 1.00 0.00 C ATOM 611 C TRP A 46 -5.579 2.348 -8.713 1.00 0.00 C ATOM 612 O TRP A 46 -5.948 3.396 -9.246 1.00 0.00 O ATOM 613 CB TRP A 46 -5.638 0.134 -9.877 1.00 0.00 C ATOM 614 CG TRP A 46 -6.154 -1.273 -9.863 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.431 -1.680 -10.122 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.404 -2.457 -9.573 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.521 -3.047 -10.010 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.291 -3.547 -9.675 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.070 -2.704 -9.238 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.884 -4.860 -9.454 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.668 -4.008 -9.019 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.572 -5.073 -9.128 1.00 0.00 C ATOM 0 H TRP A 46 -7.774 1.555 -10.374 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.448 0.560 -7.933 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.731 0.537 -10.885 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.576 0.126 -9.633 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.250 -1.024 -10.377 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.367 -3.599 -10.153 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.365 -1.890 -9.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.580 -5.682 -9.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.639 -4.210 -8.759 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.227 -6.081 -8.951 1.00 0.00 H new ATOM 633 N LEU A 47 -4.490 2.267 -7.956 1.00 0.00 N ATOM 634 CA LEU A 47 -3.648 3.430 -7.700 1.00 0.00 C ATOM 635 C LEU A 47 -2.195 3.140 -8.065 1.00 0.00 C ATOM 636 O LEU A 47 -1.737 2.003 -7.970 1.00 0.00 O ATOM 637 CB LEU A 47 -3.744 3.841 -6.230 1.00 0.00 C ATOM 638 CG LEU A 47 -3.075 2.902 -5.226 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.587 3.201 -5.126 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.737 3.022 -3.861 1.00 0.00 C ATOM 0 H LEU A 47 -4.170 1.408 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.004 4.250 -8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.302 4.832 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.798 3.931 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.197 1.878 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.127 2.523 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.122 3.064 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.444 4.230 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.248 2.347 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.646 4.047 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.791 2.758 -3.944 1.00 0.00 H new ATOM 652 N GLU A 48 -1.476 4.179 -8.481 1.00 0.00 N ATOM 653 CA GLU A 48 -0.075 4.035 -8.858 1.00 0.00 C ATOM 654 C GLU A 48 0.834 4.724 -7.845 1.00 0.00 C ATOM 655 O GLU A 48 0.510 5.793 -7.329 1.00 0.00 O ATOM 656 CB GLU A 48 0.163 4.618 -10.252 1.00 0.00 C ATOM 657 CG GLU A 48 1.448 4.133 -10.903 1.00 0.00 C ATOM 658 CD GLU A 48 2.651 4.967 -10.510 1.00 0.00 C ATOM 659 OE1 GLU A 48 2.857 6.037 -11.122 1.00 0.00 O ATOM 660 OE2 GLU A 48 3.387 4.551 -9.591 1.00 0.00 O ATOM 0 H GLU A 48 -1.841 5.128 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 48 0.164 2.972 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.679 4.360 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.189 5.705 -10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.623 3.094 -10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.333 4.156 -11.987 1.00 0.00 H new ATOM 667 N GLY A 49 1.976 4.103 -7.564 1.00 0.00 N ATOM 668 CA GLY A 49 2.915 4.670 -6.614 1.00 0.00 C ATOM 669 C GLY A 49 4.353 4.321 -6.942 1.00 0.00 C ATOM 670 O GLY A 49 4.618 3.374 -7.682 1.00 0.00 O ATOM 0 H GLY A 49 2.267 3.217 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.802 5.754 -6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.676 4.310 -5.613 1.00 0.00 H new ATOM 674 N LYS A 50 5.287 5.090 -6.391 1.00 0.00 N ATOM 675 CA LYS A 50 6.707 4.859 -6.629 1.00 0.00 C ATOM 676 C LYS A 50 7.445 4.613 -5.317 1.00 0.00 C ATOM 677 O LYS A 50 7.261 5.342 -4.344 1.00 0.00 O ATOM 678 CB LYS A 50 7.324 6.056 -7.356 1.00 0.00 C ATOM 679 CG LYS A 50 8.841 6.017 -7.412 1.00 0.00 C ATOM 680 CD LYS A 50 9.397 7.138 -8.275 1.00 0.00 C ATOM 681 CE LYS A 50 9.363 6.774 -9.751 1.00 0.00 C ATOM 682 NZ LYS A 50 10.437 7.465 -10.517 1.00 0.00 N ATOM 0 H LYS A 50 5.086 5.879 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 50 6.806 3.971 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.932 6.095 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.011 6.974 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.245 6.099 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.167 5.055 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.818 8.047 -8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.423 7.354 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.474 5.695 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.391 7.039 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.380 7.191 -11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.316 8.495 -10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.365 7.193 -10.136 1.00 0.00 H new ATOM 696 N ASN A 51 8.282 3.580 -5.299 1.00 0.00 N ATOM 697 CA ASN A 51 9.048 3.238 -4.107 1.00 0.00 C ATOM 698 C ASN A 51 10.340 4.047 -4.040 1.00 0.00 C ATOM 699 O ASN A 51 10.743 4.674 -5.019 1.00 0.00 O ATOM 700 CB ASN A 51 9.369 1.742 -4.093 1.00 0.00 C ATOM 701 CG ASN A 51 10.196 1.317 -5.291 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.657 2.152 -6.069 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.388 0.012 -5.444 1.00 0.00 N ATOM 0 H ASN A 51 8.446 2.966 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 51 8.442 3.481 -3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.908 1.497 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.439 1.174 -4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.937 -0.334 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.987 -0.644 -4.774 1.00 0.00 H new ATOM 710 N ASN A 52 10.985 4.027 -2.878 1.00 0.00 N ATOM 711 CA ASN A 52 12.232 4.758 -2.683 1.00 0.00 C ATOM 712 C ASN A 52 13.269 4.353 -3.726 1.00 0.00 C ATOM 713 O ASN A 52 14.197 5.106 -4.021 1.00 0.00 O ATOM 714 CB ASN A 52 12.781 4.507 -1.278 1.00 0.00 C ATOM 715 CG ASN A 52 14.031 5.315 -0.992 1.00 0.00 C ATOM 716 OD1 ASN A 52 13.985 6.321 -0.284 1.00 0.00 O ATOM 717 ND2 ASN A 52 15.158 4.878 -1.543 1.00 0.00 N ATOM 0 H ASN A 52 10.665 3.513 -2.057 1.00 0.00 H new ATOM 0 HA ASN A 52 12.022 5.821 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.016 4.755 -0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.003 3.446 -1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.031 5.381 -1.386 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.150 4.039 -2.123 1.00 0.00 H new ATOM 724 N LYS A 53 13.105 3.157 -4.282 1.00 0.00 N ATOM 725 CA LYS A 53 14.025 2.651 -5.294 1.00 0.00 C ATOM 726 C LYS A 53 13.909 3.454 -6.586 1.00 0.00 C ATOM 727 O LYS A 53 14.883 3.611 -7.320 1.00 0.00 O ATOM 728 CB LYS A 53 13.744 1.173 -5.573 1.00 0.00 C ATOM 729 CG LYS A 53 14.059 0.262 -4.399 1.00 0.00 C ATOM 730 CD LYS A 53 13.568 -1.155 -4.646 1.00 0.00 C ATOM 731 CE LYS A 53 14.627 -2.000 -5.338 1.00 0.00 C ATOM 732 NZ LYS A 53 14.544 -1.889 -6.820 1.00 0.00 N ATOM 0 H LYS A 53 12.343 2.520 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 53 15.040 2.757 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.694 1.056 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.331 0.857 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.135 0.250 -4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.594 0.657 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.295 -1.617 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.666 -1.127 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.616 -1.686 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.508 -3.043 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.933 -2.750 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.550 -1.777 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.090 -1.063 -7.137 1.00 0.00 H new ATOM 746 N GLY A 54 12.710 3.961 -6.857 1.00 0.00 N ATOM 747 CA GLY A 54 12.489 4.743 -8.059 1.00 0.00 C ATOM 748 C GLY A 54 11.657 4.003 -9.087 1.00 0.00 C ATOM 749 O GLY A 54 11.483 4.475 -10.210 1.00 0.00 O ATOM 0 H GLY A 54 11.888 3.844 -6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.990 5.676 -7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.451 5.009 -8.498 1.00 0.00 H new ATOM 753 N GLU A 55 11.142 2.840 -8.703 1.00 0.00 N ATOM 754 CA GLU A 55 10.325 2.032 -9.602 1.00 0.00 C ATOM 755 C GLU A 55 8.839 2.263 -9.341 1.00 0.00 C ATOM 756 O GLU A 55 8.410 2.368 -8.192 1.00 0.00 O ATOM 757 CB GLU A 55 10.659 0.548 -9.436 1.00 0.00 C ATOM 758 CG GLU A 55 11.951 0.135 -10.121 1.00 0.00 C ATOM 759 CD GLU A 55 12.181 -1.363 -10.078 1.00 0.00 C ATOM 760 OE1 GLU A 55 12.040 -1.955 -8.988 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.501 -1.944 -11.137 1.00 0.00 O ATOM 0 H GLU A 55 11.275 2.436 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 55 10.548 2.334 -10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.731 0.317 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.839 -0.048 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.929 0.466 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.789 0.641 -9.643 1.00 0.00 H new ATOM 768 N GLN A 56 8.061 2.340 -10.415 1.00 0.00 N ATOM 769 CA GLN A 56 6.623 2.559 -10.303 1.00 0.00 C ATOM 770 C GLN A 56 5.850 1.298 -10.671 1.00 0.00 C ATOM 771 O GLN A 56 6.353 0.437 -11.393 1.00 0.00 O ATOM 772 CB GLN A 56 6.191 3.718 -11.202 1.00 0.00 C ATOM 773 CG GLN A 56 6.532 5.087 -10.637 1.00 0.00 C ATOM 774 CD GLN A 56 6.532 6.173 -11.695 1.00 0.00 C ATOM 775 OE1 GLN A 56 6.923 5.940 -12.839 1.00 0.00 O ATOM 776 NE2 GLN A 56 6.091 7.367 -11.319 1.00 0.00 N ATOM 0 H GLN A 56 8.401 2.254 -11.373 1.00 0.00 H new ATOM 0 HA GLN A 56 6.399 2.810 -9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.667 3.608 -12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.115 3.659 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.813 5.344 -9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.513 5.046 -10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.776 7.516 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.067 8.136 -11.989 1.00 0.00 H new ATOM 785 N GLY A 57 4.623 1.194 -10.170 1.00 0.00 N ATOM 786 CA GLY A 57 3.800 0.034 -10.458 1.00 0.00 C ATOM 787 C GLY A 57 2.368 0.209 -9.992 1.00 0.00 C ATOM 788 O GLY A 57 2.073 1.092 -9.186 1.00 0.00 O ATOM 0 H GLY A 57 4.184 1.892 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.809 -0.157 -11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.231 -0.843 -9.975 1.00 0.00 H new ATOM 792 N LEU A 58 1.475 -0.634 -10.499 1.00 0.00 N ATOM 793 CA LEU A 58 0.065 -0.568 -10.131 1.00 0.00 C ATOM 794 C LEU A 58 -0.194 -1.321 -8.830 1.00 0.00 C ATOM 795 O LEU A 58 0.425 -2.351 -8.563 1.00 0.00 O ATOM 796 CB LEU A 58 -0.802 -1.146 -11.251 1.00 0.00 C ATOM 797 CG LEU A 58 -0.986 -0.261 -12.483 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.308 -1.107 -13.705 1.00 0.00 C ATOM 799 CD2 LEU A 58 -2.080 0.769 -12.242 1.00 0.00 C ATOM 0 H LEU A 58 1.702 -1.371 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.198 0.479 -9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.364 -2.092 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.786 -1.372 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.051 0.268 -12.669 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.436 -0.459 -14.572 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.491 -1.805 -13.890 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.228 -1.664 -13.530 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.197 1.390 -13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.020 0.259 -12.030 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.808 1.397 -11.393 1.00 0.00 H new ATOM 811 N VAL A 59 -1.115 -0.802 -8.025 1.00 0.00 N ATOM 812 CA VAL A 59 -1.459 -1.427 -6.754 1.00 0.00 C ATOM 813 C VAL A 59 -2.946 -1.278 -6.452 1.00 0.00 C ATOM 814 O VAL A 59 -3.548 -0.227 -6.676 1.00 0.00 O ATOM 815 CB VAL A 59 -0.648 -0.822 -5.593 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.079 -1.429 -4.266 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.842 -1.024 -5.822 1.00 0.00 C ATOM 0 H VAL A 59 -1.637 0.050 -8.231 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.214 -2.485 -6.846 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.845 0.249 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.495 -0.989 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.137 -1.227 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.914 -2.506 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.400 -0.590 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.059 -2.090 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.137 -0.536 -6.751 1.00 0.00 H new ATOM 827 N PRO A 60 -3.556 -2.353 -5.932 1.00 0.00 N ATOM 828 CA PRO A 60 -4.980 -2.367 -5.587 1.00 0.00 C ATOM 829 C PRO A 60 -5.294 -1.484 -4.384 1.00 0.00 C ATOM 830 O PRO A 60 -4.707 -1.645 -3.313 1.00 0.00 O ATOM 831 CB PRO A 60 -5.252 -3.837 -5.258 1.00 0.00 C ATOM 832 CG PRO A 60 -3.931 -4.380 -4.833 1.00 0.00 C ATOM 833 CD PRO A 60 -2.900 -3.639 -5.639 1.00 0.00 C ATOM 0 HA PRO A 60 -5.599 -1.976 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.994 -3.935 -4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.640 -4.372 -6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.773 -4.230 -3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.873 -5.453 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.976 -3.500 -5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.642 -4.176 -6.552 1.00 0.00 H new ATOM 841 N THR A 61 -6.224 -0.552 -4.565 1.00 0.00 N ATOM 842 CA THR A 61 -6.615 0.356 -3.494 1.00 0.00 C ATOM 843 C THR A 61 -7.321 -0.392 -2.369 1.00 0.00 C ATOM 844 O THR A 61 -7.528 0.151 -1.284 1.00 0.00 O ATOM 845 CB THR A 61 -7.542 1.471 -4.014 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.792 0.913 -4.435 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.897 2.214 -5.174 1.00 0.00 C ATOM 0 H THR A 61 -6.721 -0.406 -5.444 1.00 0.00 H new ATOM 0 HA THR A 61 -5.699 0.804 -3.110 1.00 0.00 H new ATOM 0 HB THR A 61 -7.715 2.177 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.839 0.916 -5.414 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.570 2.996 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.960 2.663 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.698 1.516 -5.987 1.00 0.00 H new ATOM 855 N ASP A 62 -7.687 -1.641 -2.635 1.00 0.00 N ATOM 856 CA ASP A 62 -8.369 -2.465 -1.643 1.00 0.00 C ATOM 857 C ASP A 62 -7.379 -3.012 -0.618 1.00 0.00 C ATOM 858 O ASP A 62 -7.749 -3.318 0.515 1.00 0.00 O ATOM 859 CB ASP A 62 -9.104 -3.620 -2.326 1.00 0.00 C ATOM 860 CG ASP A 62 -10.425 -3.187 -2.931 1.00 0.00 C ATOM 861 OD1 ASP A 62 -11.354 -2.867 -2.161 1.00 0.00 O ATOM 862 OD2 ASP A 62 -10.530 -3.169 -4.176 1.00 0.00 O ATOM 0 H ASP A 62 -7.523 -2.105 -3.528 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.095 -1.839 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.470 -4.039 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.283 -4.413 -1.600 1.00 0.00 H new ATOM 867 N TYR A 63 -6.120 -3.132 -1.025 1.00 0.00 N ATOM 868 CA TYR A 63 -5.078 -3.645 -0.144 1.00 0.00 C ATOM 869 C TYR A 63 -4.465 -2.521 0.687 1.00 0.00 C ATOM 870 O TYR A 63 -4.090 -2.721 1.842 1.00 0.00 O ATOM 871 CB TYR A 63 -3.989 -4.344 -0.960 1.00 0.00 C ATOM 872 CG TYR A 63 -4.400 -5.702 -1.480 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.632 -5.888 -2.096 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.558 -6.800 -1.356 1.00 0.00 C ATOM 875 CE1 TYR A 63 -6.013 -7.128 -2.572 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.929 -8.043 -1.831 1.00 0.00 C ATOM 877 CZ TYR A 63 -5.157 -8.202 -2.438 1.00 0.00 C ATOM 878 OH TYR A 63 -5.532 -9.439 -2.911 1.00 0.00 O ATOM 0 H TYR A 63 -5.797 -2.881 -1.959 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.534 -4.367 0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.715 -3.709 -1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.098 -4.455 -0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.303 -5.049 -2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.596 -6.680 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.975 -7.256 -3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.261 -8.885 -1.728 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.816 -10.086 -2.739 1.00 0.00 H new ATOM 888 N VAL A 64 -4.368 -1.338 0.089 1.00 0.00 N ATOM 889 CA VAL A 64 -3.802 -0.181 0.772 1.00 0.00 C ATOM 890 C VAL A 64 -4.834 0.934 0.909 1.00 0.00 C ATOM 891 O VAL A 64 -5.668 1.133 0.027 1.00 0.00 O ATOM 892 CB VAL A 64 -2.570 0.364 0.026 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.708 -0.779 -0.487 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.997 1.275 -1.115 1.00 0.00 C ATOM 0 H VAL A 64 -4.674 -1.156 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.498 -0.516 1.764 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.974 0.951 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.842 -0.375 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.372 -1.387 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.291 -1.396 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.113 1.651 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.615 0.715 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.569 2.113 -0.717 1.00 0.00 H new ATOM 904 N GLU A 65 -4.769 1.658 2.022 1.00 0.00 N ATOM 905 CA GLU A 65 -5.698 2.753 2.275 1.00 0.00 C ATOM 906 C GLU A 65 -4.953 4.077 2.417 1.00 0.00 C ATOM 907 O GLU A 65 -4.310 4.334 3.435 1.00 0.00 O ATOM 908 CB GLU A 65 -6.515 2.477 3.540 1.00 0.00 C ATOM 909 CG GLU A 65 -7.585 3.521 3.813 1.00 0.00 C ATOM 910 CD GLU A 65 -8.767 3.405 2.870 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.482 2.384 2.937 1.00 0.00 O ATOM 912 OE2 GLU A 65 -8.976 4.337 2.065 1.00 0.00 O ATOM 0 H GLU A 65 -4.084 1.506 2.762 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.374 2.826 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.988 1.499 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.840 2.428 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.933 3.419 4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.149 4.516 3.722 1.00 0.00 H new ATOM 919 N ILE A 66 -5.045 4.914 1.388 1.00 0.00 N ATOM 920 CA ILE A 66 -4.380 6.211 1.398 1.00 0.00 C ATOM 921 C ILE A 66 -4.647 6.955 2.702 1.00 0.00 C ATOM 922 O ILE A 66 -5.765 6.946 3.218 1.00 0.00 O ATOM 923 CB ILE A 66 -4.839 7.087 0.217 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.353 6.492 -1.107 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.328 8.510 0.383 1.00 0.00 C ATOM 926 CD1 ILE A 66 -4.824 7.258 -2.323 1.00 0.00 C ATOM 0 H ILE A 66 -5.573 4.717 0.538 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.311 6.019 1.304 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.929 7.112 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.263 6.464 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.698 5.461 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.661 9.117 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.718 8.931 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.239 8.504 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.442 6.780 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.914 7.264 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.456 8.283 -2.272 1.00 0.00 H new ATOM 938 N LEU A 67 -3.613 7.602 3.229 1.00 0.00 N ATOM 939 CA LEU A 67 -3.735 8.354 4.473 1.00 0.00 C ATOM 940 C LEU A 67 -3.992 9.831 4.192 1.00 0.00 C ATOM 941 O LEU A 67 -3.473 10.407 3.236 1.00 0.00 O ATOM 942 CB LEU A 67 -2.467 8.197 5.314 1.00 0.00 C ATOM 943 CG LEU A 67 -1.947 6.769 5.484 1.00 0.00 C ATOM 944 CD1 LEU A 67 -0.493 6.779 5.929 1.00 0.00 C ATOM 945 CD2 LEU A 67 -2.806 6.004 6.480 1.00 0.00 C ATOM 0 H LEU A 67 -2.681 7.621 2.814 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.584 7.955 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.678 8.798 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.657 8.613 6.303 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.007 6.264 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.141 5.754 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.113 7.289 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.408 7.302 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.421 4.990 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.779 6.508 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.834 5.966 6.120 1.00 0.00 H new ATOM 957 N PRO A 68 -4.813 10.462 5.046 1.00 0.00 N ATOM 958 CA PRO A 68 -5.156 11.880 4.913 1.00 0.00 C ATOM 959 C PRO A 68 -3.974 12.794 5.220 1.00 0.00 C ATOM 960 O PRO A 68 -3.213 12.547 6.154 1.00 0.00 O ATOM 961 CB PRO A 68 -6.266 12.076 5.949 1.00 0.00 C ATOM 962 CG PRO A 68 -6.029 11.011 6.963 1.00 0.00 C ATOM 963 CD PRO A 68 -5.467 9.838 6.208 1.00 0.00 C ATOM 0 HA PRO A 68 -5.454 12.133 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.218 13.068 6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.252 11.979 5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.333 11.351 7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.956 10.741 7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.758 9.273 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.250 9.144 5.904 1.00 0.00 H new