USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=8 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 19:sc= 0.252 USER MOD Single : A 15 MET CE :methyl 180:sc= -0.0451 (180deg=-0.0451) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.475 K(o=-0.47,f=-1.4!) USER MOD Single : A 28 THR OG1 : rot -48:sc= 0.0577 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 38 THR OG1 : rot -19:sc= 0.101 USER MOD Single : A 39 ASN : amide:sc= -1.94! K(o=-1.9!,f=-1) USER MOD Single : A 41 ASN : amide:sc= -0.701 X(o=-0.7,f=-0.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -6.04! C(o=-6!,f=-15!) USER MOD Single : A 52 ASN : amide:sc= -0.151 K(o=-0.15,f=-5.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.00331 K(o=0.0033,f=-0.56) USER MOD Single : A 61 THR OG1 : rot -92:sc= 0.194 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 1.263 12.845 -0.753 1.00 0.00 N ATOM 94 CA THR A 10 0.276 11.806 -0.482 1.00 0.00 C ATOM 95 C THR A 10 0.950 10.474 -0.175 1.00 0.00 C ATOM 96 O THR A 10 1.831 10.027 -0.912 1.00 0.00 O ATOM 97 CB THR A 10 -0.684 11.620 -1.672 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.107 12.897 -2.165 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.899 10.801 -1.264 1.00 0.00 C ATOM 0 HA THR A 10 -0.294 12.131 0.388 1.00 0.00 H new ATOM 0 HB THR A 10 -0.152 11.085 -2.459 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.488 13.590 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.563 10.683 -2.121 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.576 9.819 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.430 11.313 -0.462 1.00 0.00 H new ATOM 107 N LYS A 11 0.532 9.842 0.916 1.00 0.00 N ATOM 108 CA LYS A 11 1.094 8.559 1.320 1.00 0.00 C ATOM 109 C LYS A 11 -0.011 7.567 1.670 1.00 0.00 C ATOM 110 O LYS A 11 -1.101 7.959 2.086 1.00 0.00 O ATOM 111 CB LYS A 11 2.027 8.742 2.519 1.00 0.00 C ATOM 112 CG LYS A 11 3.150 9.734 2.269 1.00 0.00 C ATOM 113 CD LYS A 11 4.369 9.056 1.665 1.00 0.00 C ATOM 114 CE LYS A 11 5.655 9.764 2.064 1.00 0.00 C ATOM 115 NZ LYS A 11 6.861 8.967 1.705 1.00 0.00 N ATOM 0 H LYS A 11 -0.195 10.198 1.537 1.00 0.00 H new ATOM 0 HA LYS A 11 1.664 8.160 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.442 9.076 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.458 7.777 2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.800 10.520 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.427 10.215 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.408 8.017 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.280 9.046 0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.702 10.736 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.649 9.950 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.717 9.483 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.829 8.050 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.881 8.811 0.677 1.00 0.00 H new ATOM 129 N ALA A 12 0.278 6.281 1.500 1.00 0.00 N ATOM 130 CA ALA A 12 -0.690 5.234 1.802 1.00 0.00 C ATOM 131 C ALA A 12 -0.045 4.102 2.594 1.00 0.00 C ATOM 132 O ALA A 12 1.109 3.744 2.356 1.00 0.00 O ATOM 133 CB ALA A 12 -1.305 4.699 0.518 1.00 0.00 C ATOM 0 H ALA A 12 1.175 5.939 1.155 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.479 5.668 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.026 3.918 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.809 5.509 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.521 4.286 -0.117 1.00 0.00 H new ATOM 139 N ARG A 13 -0.797 3.541 3.536 1.00 0.00 N ATOM 140 CA ARG A 13 -0.297 2.451 4.364 1.00 0.00 C ATOM 141 C ARG A 13 -0.891 1.116 3.922 1.00 0.00 C ATOM 142 O ARG A 13 -2.111 0.953 3.876 1.00 0.00 O ATOM 143 CB ARG A 13 -0.628 2.706 5.835 1.00 0.00 C ATOM 144 CG ARG A 13 -0.043 1.669 6.780 1.00 0.00 C ATOM 145 CD ARG A 13 -0.238 2.068 8.235 1.00 0.00 C ATOM 146 NE ARG A 13 0.648 1.327 9.129 1.00 0.00 N ATOM 147 CZ ARG A 13 0.376 0.111 9.590 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.749 -0.497 9.244 1.00 0.00 N ATOM 149 NH2 ARG A 13 1.233 -0.498 10.400 1.00 0.00 N ATOM 0 H ARG A 13 -1.755 3.824 3.744 1.00 0.00 H new ATOM 0 HA ARG A 13 0.786 2.405 4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.257 3.692 6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.711 2.726 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.516 0.703 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.020 1.547 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.054 3.137 8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.274 1.892 8.524 1.00 0.00 H new ATOM 0 HE ARG A 13 1.523 1.767 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.410 -0.032 8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.954 -1.431 9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.100 -0.032 10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.025 -1.432 10.754 1.00 0.00 H new ATOM 163 N VAL A 14 -0.021 0.165 3.598 1.00 0.00 N ATOM 164 CA VAL A 14 -0.459 -1.155 3.160 1.00 0.00 C ATOM 165 C VAL A 14 -1.120 -1.920 4.301 1.00 0.00 C ATOM 166 O VAL A 14 -0.540 -2.078 5.374 1.00 0.00 O ATOM 167 CB VAL A 14 0.718 -1.984 2.614 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.216 -3.276 1.988 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.522 -1.172 1.610 1.00 0.00 C ATOM 0 H VAL A 14 0.992 0.284 3.631 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.185 -1.000 2.362 1.00 0.00 H new ATOM 0 HB VAL A 14 1.374 -2.242 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.062 -3.849 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.311 -3.863 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.463 -3.043 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.350 -1.774 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.879 -0.881 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.914 -0.278 2.096 1.00 0.00 H new ATOM 179 N MET A 15 -2.338 -2.395 4.060 1.00 0.00 N ATOM 180 CA MET A 15 -3.078 -3.146 5.067 1.00 0.00 C ATOM 181 C MET A 15 -2.804 -4.641 4.940 1.00 0.00 C ATOM 182 O MET A 15 -2.917 -5.387 5.913 1.00 0.00 O ATOM 183 CB MET A 15 -4.579 -2.878 4.934 1.00 0.00 C ATOM 184 CG MET A 15 -4.904 -1.485 4.418 1.00 0.00 C ATOM 185 SD MET A 15 -6.554 -0.936 4.893 1.00 0.00 S ATOM 186 CE MET A 15 -7.508 -1.458 3.470 1.00 0.00 C ATOM 0 H MET A 15 -2.833 -2.273 3.176 1.00 0.00 H new ATOM 0 HA MET A 15 -2.743 -2.815 6.050 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.013 -3.617 4.260 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.052 -3.016 5.906 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.166 -0.779 4.800 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.821 -1.476 3.331 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.554 -1.188 3.614 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.126 -0.966 2.575 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.425 -2.539 3.353 1.00 0.00 H new ATOM 196 N TYR A 16 -2.444 -5.072 3.736 1.00 0.00 N ATOM 197 CA TYR A 16 -2.157 -6.479 3.483 1.00 0.00 C ATOM 198 C TYR A 16 -0.992 -6.630 2.508 1.00 0.00 C ATOM 199 O TYR A 16 -0.951 -5.975 1.466 1.00 0.00 O ATOM 200 CB TYR A 16 -3.396 -7.182 2.926 1.00 0.00 C ATOM 201 CG TYR A 16 -4.677 -6.799 3.632 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.968 -7.288 4.900 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.596 -5.948 3.032 1.00 0.00 C ATOM 204 CE1 TYR A 16 -6.138 -6.942 5.548 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.768 -5.595 3.673 1.00 0.00 C ATOM 206 CZ TYR A 16 -7.034 -6.095 4.931 1.00 0.00 C ATOM 207 OH TYR A 16 -8.200 -5.747 5.574 1.00 0.00 O ATOM 0 H TYR A 16 -2.344 -4.468 2.920 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.879 -6.943 4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.491 -6.947 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.257 -8.260 3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.267 -7.950 5.387 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.391 -5.555 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.350 -7.333 6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.472 -4.932 3.192 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.720 -5.143 5.004 1.00 0.00 H new ATOM 217 N ASP A 17 -0.048 -7.497 2.855 1.00 0.00 N ATOM 218 CA ASP A 17 1.117 -7.737 2.012 1.00 0.00 C ATOM 219 C ASP A 17 0.695 -8.118 0.597 1.00 0.00 C ATOM 220 O ASP A 17 -0.176 -8.967 0.405 1.00 0.00 O ATOM 221 CB ASP A 17 1.989 -8.841 2.612 1.00 0.00 C ATOM 222 CG ASP A 17 2.782 -9.589 1.559 1.00 0.00 C ATOM 223 OD1 ASP A 17 3.876 -9.113 1.191 1.00 0.00 O ATOM 224 OD2 ASP A 17 2.309 -10.651 1.101 1.00 0.00 O ATOM 0 H ASP A 17 -0.067 -8.046 3.715 1.00 0.00 H new ATOM 0 HA ASP A 17 1.695 -6.814 1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.675 -8.404 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.357 -9.544 3.155 1.00 0.00 H new ATOM 229 N PHE A 18 1.316 -7.484 -0.392 1.00 0.00 N ATOM 230 CA PHE A 18 1.003 -7.754 -1.790 1.00 0.00 C ATOM 231 C PHE A 18 2.271 -8.063 -2.582 1.00 0.00 C ATOM 232 O PHE A 18 3.148 -7.211 -2.726 1.00 0.00 O ATOM 233 CB PHE A 18 0.277 -6.560 -2.413 1.00 0.00 C ATOM 234 CG PHE A 18 0.056 -6.698 -3.892 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.567 -7.821 -4.411 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.473 -5.704 -4.764 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.772 -7.951 -5.772 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.270 -5.828 -6.125 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.352 -6.953 -6.630 1.00 0.00 C ATOM 0 H PHE A 18 2.040 -6.779 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 18 0.351 -8.626 -1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.687 -6.433 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.854 -5.655 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.897 -8.604 -3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.962 -4.823 -4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.260 -8.831 -6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.598 -5.046 -6.794 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.510 -7.052 -7.694 1.00 0.00 H new ATOM 249 N ALA A 19 2.360 -9.287 -3.091 1.00 0.00 N ATOM 250 CA ALA A 19 3.519 -9.708 -3.869 1.00 0.00 C ATOM 251 C ALA A 19 3.286 -9.494 -5.361 1.00 0.00 C ATOM 252 O ALA A 19 2.798 -10.384 -6.056 1.00 0.00 O ATOM 253 CB ALA A 19 3.841 -11.168 -3.587 1.00 0.00 C ATOM 0 H ALA A 19 1.644 -10.005 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 19 4.369 -9.095 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.708 -11.469 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.059 -11.294 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.986 -11.788 -3.858 1.00 0.00 H new ATOM 259 N ALA A 20 3.638 -8.308 -5.846 1.00 0.00 N ATOM 260 CA ALA A 20 3.468 -7.978 -7.255 1.00 0.00 C ATOM 261 C ALA A 20 4.645 -8.484 -8.083 1.00 0.00 C ATOM 262 O ALA A 20 5.791 -8.104 -7.845 1.00 0.00 O ATOM 263 CB ALA A 20 3.305 -6.475 -7.430 1.00 0.00 C ATOM 0 H ALA A 20 4.043 -7.560 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 20 2.566 -8.474 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.179 -6.243 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.428 -6.137 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.191 -5.966 -7.050 1.00 0.00 H new ATOM 319 N ASN A 25 3.175 -5.091 -14.632 1.00 0.00 N ATOM 320 CA ASN A 25 3.215 -3.714 -14.152 1.00 0.00 C ATOM 321 C ASN A 25 2.606 -3.607 -12.757 1.00 0.00 C ATOM 322 O ASN A 25 1.542 -3.016 -12.578 1.00 0.00 O ATOM 323 CB ASN A 25 2.469 -2.793 -15.119 1.00 0.00 C ATOM 324 CG ASN A 25 1.300 -3.486 -15.793 1.00 0.00 C ATOM 325 OD1 ASN A 25 0.709 -4.412 -15.237 1.00 0.00 O ATOM 326 ND2 ASN A 25 0.962 -3.040 -16.997 1.00 0.00 N ATOM 0 HA ASN A 25 4.259 -3.404 -14.098 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.107 -1.919 -14.577 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.161 -2.432 -15.880 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.184 -3.468 -17.499 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.480 -2.270 -17.420 1.00 0.00 H new ATOM 333 N GLU A 26 3.291 -4.181 -11.773 1.00 0.00 N ATOM 334 CA GLU A 26 2.817 -4.150 -10.394 1.00 0.00 C ATOM 335 C GLU A 26 3.986 -4.048 -9.419 1.00 0.00 C ATOM 336 O GLU A 26 4.960 -4.794 -9.520 1.00 0.00 O ATOM 337 CB GLU A 26 1.990 -5.400 -10.087 1.00 0.00 C ATOM 338 CG GLU A 26 0.769 -5.556 -10.978 1.00 0.00 C ATOM 339 CD GLU A 26 -0.145 -6.677 -10.524 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.318 -7.836 -10.471 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.324 -6.397 -10.221 1.00 0.00 O ATOM 0 H GLU A 26 4.175 -4.673 -11.905 1.00 0.00 H new ATOM 0 HA GLU A 26 2.188 -3.268 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.624 -6.280 -10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.668 -5.366 -9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.211 -4.620 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.093 -5.748 -12.001 1.00 0.00 H new ATOM 348 N LEU A 27 3.882 -3.118 -8.476 1.00 0.00 N ATOM 349 CA LEU A 27 4.931 -2.917 -7.482 1.00 0.00 C ATOM 350 C LEU A 27 4.652 -3.733 -6.223 1.00 0.00 C ATOM 351 O LEU A 27 3.504 -3.869 -5.799 1.00 0.00 O ATOM 352 CB LEU A 27 5.045 -1.433 -7.126 1.00 0.00 C ATOM 353 CG LEU A 27 6.214 -1.049 -6.217 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.537 -1.221 -6.947 1.00 0.00 C ATOM 355 CD2 LEU A 27 6.057 0.381 -5.722 1.00 0.00 C ATOM 0 H LEU A 27 3.083 -2.492 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 27 5.874 -3.256 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.128 -0.863 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.118 -1.123 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 27 6.211 -1.713 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.357 -0.943 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.652 -2.261 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.551 -0.582 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.897 0.637 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.033 1.060 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.127 0.471 -5.160 1.00 0.00 H new ATOM 367 N THR A 28 5.711 -4.274 -5.628 1.00 0.00 N ATOM 368 CA THR A 28 5.581 -5.075 -4.418 1.00 0.00 C ATOM 369 C THR A 28 5.487 -4.191 -3.180 1.00 0.00 C ATOM 370 O THR A 28 6.114 -3.133 -3.112 1.00 0.00 O ATOM 371 CB THR A 28 6.768 -6.043 -4.255 1.00 0.00 C ATOM 372 OG1 THR A 28 7.055 -6.681 -5.505 1.00 0.00 O ATOM 373 CG2 THR A 28 6.467 -7.096 -3.200 1.00 0.00 C ATOM 0 H THR A 28 6.668 -4.172 -5.965 1.00 0.00 H new ATOM 0 HA THR A 28 4.662 -5.652 -4.519 1.00 0.00 H new ATOM 0 HB THR A 28 7.636 -5.467 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.223 -7.019 -5.898 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.320 -7.768 -3.103 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.278 -6.609 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.587 -7.667 -3.497 1.00 0.00 H new ATOM 381 N VAL A 29 4.702 -4.631 -2.202 1.00 0.00 N ATOM 382 CA VAL A 29 4.528 -3.879 -0.965 1.00 0.00 C ATOM 383 C VAL A 29 4.343 -4.815 0.224 1.00 0.00 C ATOM 384 O VAL A 29 3.841 -5.930 0.080 1.00 0.00 O ATOM 385 CB VAL A 29 3.318 -2.930 -1.050 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.664 -1.697 -1.871 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.115 -3.652 -1.638 1.00 0.00 C ATOM 0 H VAL A 29 4.176 -5.504 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 29 5.433 -3.289 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 29 3.061 -2.606 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.797 -1.038 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.495 -1.169 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.948 -1.999 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.269 -2.966 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.357 -4.007 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.855 -4.501 -1.005 1.00 0.00 H new ATOM 397 N THR A 30 4.751 -4.353 1.403 1.00 0.00 N ATOM 398 CA THR A 30 4.631 -5.148 2.618 1.00 0.00 C ATOM 399 C THR A 30 3.732 -4.460 3.639 1.00 0.00 C ATOM 400 O THR A 30 3.637 -3.234 3.668 1.00 0.00 O ATOM 401 CB THR A 30 6.008 -5.408 3.257 1.00 0.00 C ATOM 402 OG1 THR A 30 6.651 -4.165 3.558 1.00 0.00 O ATOM 403 CG2 THR A 30 6.890 -6.229 2.328 1.00 0.00 C ATOM 0 H THR A 30 5.167 -3.432 1.541 1.00 0.00 H new ATOM 0 HA THR A 30 4.186 -6.100 2.330 1.00 0.00 H new ATOM 0 HB THR A 30 5.856 -5.970 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.525 -4.339 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.857 -6.400 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.412 -7.187 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.034 -5.689 1.392 1.00 0.00 H new ATOM 411 N GLU A 31 3.074 -5.258 4.474 1.00 0.00 N ATOM 412 CA GLU A 31 2.182 -4.724 5.497 1.00 0.00 C ATOM 413 C GLU A 31 2.923 -3.752 6.411 1.00 0.00 C ATOM 414 O GLU A 31 3.760 -4.156 7.216 1.00 0.00 O ATOM 415 CB GLU A 31 1.580 -5.861 6.324 1.00 0.00 C ATOM 416 CG GLU A 31 0.632 -5.386 7.413 1.00 0.00 C ATOM 417 CD GLU A 31 0.162 -6.514 8.310 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.141 -7.605 7.784 1.00 0.00 O ATOM 419 OE2 GLU A 31 0.097 -6.305 9.540 1.00 0.00 O ATOM 0 H GLU A 31 3.142 -6.276 4.462 1.00 0.00 H new ATOM 0 HA GLU A 31 1.378 -4.184 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.045 -6.539 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.387 -6.433 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.130 -4.629 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.233 -4.908 6.953 1.00 0.00 H new ATOM 426 N GLY A 32 2.607 -2.467 6.279 1.00 0.00 N ATOM 427 CA GLY A 32 3.251 -1.457 7.098 1.00 0.00 C ATOM 428 C GLY A 32 4.167 -0.556 6.294 1.00 0.00 C ATOM 429 O GLY A 32 4.630 0.470 6.790 1.00 0.00 O ATOM 0 H GLY A 32 1.917 -2.108 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.489 -0.851 7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.826 -1.944 7.886 1.00 0.00 H new ATOM 433 N GLU A 33 4.431 -0.942 5.049 1.00 0.00 N ATOM 434 CA GLU A 33 5.301 -0.162 4.176 1.00 0.00 C ATOM 435 C GLU A 33 4.572 1.067 3.640 1.00 0.00 C ATOM 436 O GLU A 33 3.449 0.969 3.145 1.00 0.00 O ATOM 437 CB GLU A 33 5.797 -1.023 3.013 1.00 0.00 C ATOM 438 CG GLU A 33 6.437 -0.221 1.892 1.00 0.00 C ATOM 439 CD GLU A 33 7.589 0.639 2.375 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.067 0.409 3.506 1.00 0.00 O ATOM 441 OE2 GLU A 33 8.013 1.541 1.623 1.00 0.00 O ATOM 0 H GLU A 33 4.055 -1.789 4.623 1.00 0.00 H new ATOM 0 HA GLU A 33 6.157 0.172 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.520 -1.746 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.959 -1.591 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.796 -0.903 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.683 0.415 1.429 1.00 0.00 H new ATOM 448 N ILE A 34 5.219 2.223 3.743 1.00 0.00 N ATOM 449 CA ILE A 34 4.634 3.470 3.268 1.00 0.00 C ATOM 450 C ILE A 34 5.258 3.902 1.945 1.00 0.00 C ATOM 451 O ILE A 34 6.478 3.869 1.783 1.00 0.00 O ATOM 452 CB ILE A 34 4.809 4.602 4.298 1.00 0.00 C ATOM 453 CG1 ILE A 34 4.336 4.142 5.679 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.046 5.842 3.857 1.00 0.00 C ATOM 455 CD1 ILE A 34 3.090 3.285 5.636 1.00 0.00 C ATOM 0 H ILE A 34 6.149 2.322 4.151 1.00 0.00 H new ATOM 0 HA ILE A 34 3.570 3.283 3.122 1.00 0.00 H new ATOM 0 HB ILE A 34 5.867 4.854 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.137 3.581 6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.144 5.018 6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.179 6.633 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.425 6.178 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.986 5.604 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.812 2.995 6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.275 3.850 5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.284 2.391 5.043 1.00 0.00 H new ATOM 467 N ILE A 35 4.413 4.307 1.004 1.00 0.00 N ATOM 468 CA ILE A 35 4.882 4.748 -0.304 1.00 0.00 C ATOM 469 C ILE A 35 4.212 6.054 -0.717 1.00 0.00 C ATOM 470 O ILE A 35 3.330 6.560 -0.021 1.00 0.00 O ATOM 471 CB ILE A 35 4.616 3.684 -1.386 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.173 3.183 -1.295 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.594 2.528 -1.243 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.692 2.496 -2.554 1.00 0.00 C ATOM 0 H ILE A 35 3.400 4.339 1.122 1.00 0.00 H new ATOM 0 HA ILE A 35 5.957 4.905 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 35 4.762 4.138 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.090 2.490 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.517 4.026 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.394 1.784 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.613 2.898 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.477 2.072 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.662 2.167 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.743 3.193 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.324 1.633 -2.762 1.00 0.00 H new ATOM 486 N THR A 36 4.635 6.597 -1.854 1.00 0.00 N ATOM 487 CA THR A 36 4.076 7.844 -2.361 1.00 0.00 C ATOM 488 C THR A 36 3.072 7.583 -3.477 1.00 0.00 C ATOM 489 O THR A 36 3.347 6.829 -4.411 1.00 0.00 O ATOM 490 CB THR A 36 5.180 8.781 -2.887 1.00 0.00 C ATOM 491 OG1 THR A 36 6.162 9.001 -1.869 1.00 0.00 O ATOM 492 CG2 THR A 36 4.593 10.113 -3.329 1.00 0.00 C ATOM 0 H THR A 36 5.364 6.192 -2.442 1.00 0.00 H new ATOM 0 HA THR A 36 3.568 8.326 -1.525 1.00 0.00 H new ATOM 0 HB THR A 36 5.650 8.305 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.861 9.596 -2.212 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.391 10.758 -3.697 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.867 9.945 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.100 10.592 -2.483 1.00 0.00 H new ATOM 500 N VAL A 37 1.905 8.212 -3.376 1.00 0.00 N ATOM 501 CA VAL A 37 0.859 8.049 -4.379 1.00 0.00 C ATOM 502 C VAL A 37 0.976 9.106 -5.471 1.00 0.00 C ATOM 503 O VAL A 37 0.997 10.305 -5.191 1.00 0.00 O ATOM 504 CB VAL A 37 -0.543 8.132 -3.746 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.619 7.955 -4.807 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.693 7.094 -2.645 1.00 0.00 C ATOM 0 H VAL A 37 1.660 8.839 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 37 0.993 7.061 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.664 9.120 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.603 8.017 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.523 8.740 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.503 6.982 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.689 7.167 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.552 6.097 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.055 7.272 -1.872 1.00 0.00 H new ATOM 516 N THR A 38 1.051 8.654 -6.719 1.00 0.00 N ATOM 517 CA THR A 38 1.166 9.560 -7.855 1.00 0.00 C ATOM 518 C THR A 38 -0.101 9.543 -8.703 1.00 0.00 C ATOM 519 O THR A 38 -0.553 10.582 -9.181 1.00 0.00 O ATOM 520 CB THR A 38 2.370 9.196 -8.744 1.00 0.00 C ATOM 521 OG1 THR A 38 2.293 7.820 -9.134 1.00 0.00 O ATOM 522 CG2 THR A 38 3.679 9.449 -8.012 1.00 0.00 C ATOM 0 H THR A 38 1.034 7.665 -6.969 1.00 0.00 H new ATOM 0 HA THR A 38 1.314 10.560 -7.448 1.00 0.00 H new ATOM 0 HB THR A 38 2.342 9.827 -9.633 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.686 7.342 -8.531 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.515 9.185 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.748 10.503 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.714 8.841 -7.108 1.00 0.00 H new ATOM 530 N ASN A 39 -0.670 8.355 -8.884 1.00 0.00 N ATOM 531 CA ASN A 39 -1.886 8.204 -9.675 1.00 0.00 C ATOM 532 C ASN A 39 -2.921 7.369 -8.926 1.00 0.00 C ATOM 533 O ASN A 39 -3.080 6.172 -9.166 1.00 0.00 O ATOM 534 CB ASN A 39 -1.565 7.552 -11.021 1.00 0.00 C ATOM 535 CG ASN A 39 -2.560 7.934 -12.100 1.00 0.00 C ATOM 536 OD1 ASN A 39 -2.812 9.115 -12.337 1.00 0.00 O ATOM 537 ND2 ASN A 39 -3.132 6.933 -12.759 1.00 0.00 N ATOM 0 H ASN A 39 -0.309 7.484 -8.494 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.303 9.196 -9.850 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.563 7.845 -11.334 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.558 6.468 -10.904 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.810 7.129 -13.495 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.893 5.968 -12.529 1.00 0.00 H new ATOM 544 N PRO A 40 -3.642 8.014 -7.998 1.00 0.00 N ATOM 545 CA PRO A 40 -4.675 7.351 -7.196 1.00 0.00 C ATOM 546 C PRO A 40 -5.898 6.973 -8.025 1.00 0.00 C ATOM 547 O PRO A 40 -6.722 6.165 -7.599 1.00 0.00 O ATOM 548 CB PRO A 40 -5.043 8.406 -6.150 1.00 0.00 C ATOM 549 CG PRO A 40 -4.702 9.708 -6.789 1.00 0.00 C ATOM 550 CD PRO A 40 -3.506 9.441 -7.660 1.00 0.00 C ATOM 0 HA PRO A 40 -4.320 6.413 -6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.101 8.356 -5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.483 8.260 -5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.538 10.084 -7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.476 10.464 -6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.511 10.067 -8.552 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.573 9.642 -7.134 1.00 0.00 H new ATOM 558 N ASN A 41 -6.009 7.562 -9.211 1.00 0.00 N ATOM 559 CA ASN A 41 -7.132 7.286 -10.100 1.00 0.00 C ATOM 560 C ASN A 41 -6.648 6.699 -11.422 1.00 0.00 C ATOM 561 O ASN A 41 -6.762 7.331 -12.473 1.00 0.00 O ATOM 562 CB ASN A 41 -7.931 8.565 -10.358 1.00 0.00 C ATOM 563 CG ASN A 41 -8.992 8.378 -11.425 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.035 9.116 -12.410 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.855 7.387 -11.234 1.00 0.00 N ATOM 0 H ASN A 41 -5.335 8.233 -9.579 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.777 6.555 -9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.405 8.887 -9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.250 9.360 -10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.591 7.213 -11.918 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.782 6.800 -10.403 1.00 0.00 H new ATOM 572 N VAL A 42 -6.107 5.486 -11.363 1.00 0.00 N ATOM 573 CA VAL A 42 -5.607 4.813 -12.556 1.00 0.00 C ATOM 574 C VAL A 42 -6.713 4.630 -13.588 1.00 0.00 C ATOM 575 O VAL A 42 -6.555 4.989 -14.754 1.00 0.00 O ATOM 576 CB VAL A 42 -5.006 3.437 -12.213 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.428 2.781 -13.458 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.946 3.573 -11.131 1.00 0.00 C ATOM 0 H VAL A 42 -6.004 4.949 -10.502 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.826 5.448 -12.974 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.802 2.798 -11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.008 1.810 -13.196 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.217 2.647 -14.198 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.645 3.415 -13.873 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.532 2.591 -10.901 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.150 4.229 -11.482 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.395 3.996 -10.233 1.00 0.00 H new ATOM 588 N GLY A 43 -7.836 4.068 -13.150 1.00 0.00 N ATOM 589 CA GLY A 43 -8.954 3.847 -14.049 1.00 0.00 C ATOM 590 C GLY A 43 -9.828 2.688 -13.613 1.00 0.00 C ATOM 591 O GLY A 43 -10.970 2.883 -13.201 1.00 0.00 O ATOM 0 H GLY A 43 -7.991 3.762 -12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.558 4.753 -14.103 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.576 3.655 -15.053 1.00 0.00 H new ATOM 595 N GLY A 44 -9.290 1.475 -13.707 1.00 0.00 N ATOM 596 CA GLY A 44 -10.043 0.298 -13.317 1.00 0.00 C ATOM 597 C GLY A 44 -10.278 0.228 -11.821 1.00 0.00 C ATOM 598 O GLY A 44 -10.916 -0.701 -11.328 1.00 0.00 O ATOM 0 H GLY A 44 -8.347 1.287 -14.046 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.003 0.298 -13.833 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.508 -0.595 -13.640 1.00 0.00 H new ATOM 602 N GLY A 45 -9.758 1.214 -11.095 1.00 0.00 N ATOM 603 CA GLY A 45 -9.924 1.241 -9.654 1.00 0.00 C ATOM 604 C GLY A 45 -8.629 0.965 -8.916 1.00 0.00 C ATOM 605 O GLY A 45 -8.643 0.562 -7.753 1.00 0.00 O ATOM 0 H GLY A 45 -9.225 1.994 -11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.309 2.216 -9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.669 0.501 -9.363 1.00 0.00 H new ATOM 609 N TRP A 46 -7.507 1.180 -9.593 1.00 0.00 N ATOM 610 CA TRP A 46 -6.197 0.949 -8.995 1.00 0.00 C ATOM 611 C TRP A 46 -5.458 2.265 -8.778 1.00 0.00 C ATOM 612 O TRP A 46 -5.923 3.326 -9.198 1.00 0.00 O ATOM 613 CB TRP A 46 -5.364 0.022 -9.881 1.00 0.00 C ATOM 614 CG TRP A 46 -5.948 -1.352 -10.018 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.226 -1.667 -10.381 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.275 -2.595 -9.791 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.388 -3.031 -10.394 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.206 -3.623 -10.036 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.976 -2.940 -9.406 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.878 -4.970 -9.908 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.653 -4.277 -9.279 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.599 -5.279 -9.530 1.00 0.00 C ATOM 0 H TRP A 46 -7.478 1.514 -10.556 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.347 0.474 -8.026 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.267 0.468 -10.871 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.359 -0.058 -9.467 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.996 -0.949 -10.622 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.249 -3.523 -10.632 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.239 -2.175 -9.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.607 -5.744 -10.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.653 -4.555 -8.981 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.314 -6.315 -9.423 1.00 0.00 H new ATOM 633 N LEU A 47 -4.305 2.190 -8.122 1.00 0.00 N ATOM 634 CA LEU A 47 -3.501 3.377 -7.850 1.00 0.00 C ATOM 635 C LEU A 47 -2.042 3.145 -8.230 1.00 0.00 C ATOM 636 O LEU A 47 -1.566 2.010 -8.233 1.00 0.00 O ATOM 637 CB LEU A 47 -3.602 3.758 -6.372 1.00 0.00 C ATOM 638 CG LEU A 47 -2.778 2.909 -5.403 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.299 3.243 -5.525 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.257 3.115 -3.974 1.00 0.00 C ATOM 0 H LEU A 47 -3.906 1.320 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.889 4.196 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.295 4.798 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.649 3.702 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.915 1.859 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.729 2.629 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.964 3.043 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.143 4.296 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.659 2.503 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.151 4.165 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.305 2.824 -3.896 1.00 0.00 H new ATOM 652 N GLU A 48 -1.339 4.227 -8.547 1.00 0.00 N ATOM 653 CA GLU A 48 0.066 4.140 -8.926 1.00 0.00 C ATOM 654 C GLU A 48 0.950 4.850 -7.904 1.00 0.00 C ATOM 655 O GLU A 48 0.677 5.983 -7.512 1.00 0.00 O ATOM 656 CB GLU A 48 0.282 4.749 -10.313 1.00 0.00 C ATOM 657 CG GLU A 48 1.468 4.161 -11.058 1.00 0.00 C ATOM 658 CD GLU A 48 1.653 4.770 -12.435 1.00 0.00 C ATOM 659 OE1 GLU A 48 2.370 5.786 -12.543 1.00 0.00 O ATOM 660 OE2 GLU A 48 1.080 4.229 -13.404 1.00 0.00 O ATOM 0 H GLU A 48 -1.719 5.174 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 48 0.344 3.086 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.619 4.603 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.425 5.825 -10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.374 4.316 -10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.333 3.084 -11.156 1.00 0.00 H new ATOM 667 N GLY A 49 2.012 4.173 -7.477 1.00 0.00 N ATOM 668 CA GLY A 49 2.920 4.753 -6.505 1.00 0.00 C ATOM 669 C GLY A 49 4.374 4.473 -6.831 1.00 0.00 C ATOM 670 O GLY A 49 4.677 3.667 -7.710 1.00 0.00 O ATOM 0 H GLY A 49 2.259 3.233 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.761 5.831 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.690 4.357 -5.516 1.00 0.00 H new ATOM 674 N LYS A 50 5.276 5.142 -6.121 1.00 0.00 N ATOM 675 CA LYS A 50 6.707 4.963 -6.339 1.00 0.00 C ATOM 676 C LYS A 50 7.389 4.448 -5.075 1.00 0.00 C ATOM 677 O LYS A 50 6.870 4.605 -3.971 1.00 0.00 O ATOM 678 CB LYS A 50 7.347 6.283 -6.775 1.00 0.00 C ATOM 679 CG LYS A 50 8.847 6.337 -6.544 1.00 0.00 C ATOM 680 CD LYS A 50 9.400 7.730 -6.796 1.00 0.00 C ATOM 681 CE LYS A 50 9.703 7.952 -8.270 1.00 0.00 C ATOM 682 NZ LYS A 50 10.441 9.224 -8.499 1.00 0.00 N ATOM 0 H LYS A 50 5.042 5.813 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 50 6.839 4.224 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.145 6.443 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.875 7.103 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.070 6.036 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.343 5.623 -7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.681 8.475 -6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.309 7.873 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.292 7.117 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.771 7.967 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.628 9.338 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.868 10.023 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.343 9.200 -7.981 1.00 0.00 H new ATOM 696 N ASN A 51 8.556 3.835 -5.246 1.00 0.00 N ATOM 697 CA ASN A 51 9.309 3.298 -4.118 1.00 0.00 C ATOM 698 C ASN A 51 10.709 3.902 -4.063 1.00 0.00 C ATOM 699 O ASN A 51 11.104 4.662 -4.946 1.00 0.00 O ATOM 700 CB ASN A 51 9.402 1.774 -4.219 1.00 0.00 C ATOM 701 CG ASN A 51 9.746 1.308 -5.620 1.00 0.00 C ATOM 702 OD1 ASN A 51 8.867 1.147 -6.467 1.00 0.00 O ATOM 703 ND2 ASN A 51 11.032 1.088 -5.872 1.00 0.00 N ATOM 0 H ASN A 51 9.000 3.698 -6.154 1.00 0.00 H new ATOM 0 HA ASN A 51 8.782 3.563 -3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.158 1.412 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.452 1.334 -3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.324 0.773 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.727 1.234 -5.140 1.00 0.00 H new ATOM 710 N ASN A 52 11.456 3.556 -3.019 1.00 0.00 N ATOM 711 CA ASN A 52 12.812 4.064 -2.848 1.00 0.00 C ATOM 712 C ASN A 52 13.585 4.005 -4.162 1.00 0.00 C ATOM 713 O ASN A 52 13.969 5.035 -4.717 1.00 0.00 O ATOM 714 CB ASN A 52 13.548 3.260 -1.774 1.00 0.00 C ATOM 715 CG ASN A 52 12.698 3.029 -0.540 1.00 0.00 C ATOM 716 OD1 ASN A 52 11.545 3.455 -0.479 1.00 0.00 O ATOM 717 ND2 ASN A 52 13.266 2.352 0.451 1.00 0.00 N ATOM 0 H ASN A 52 11.145 2.926 -2.279 1.00 0.00 H new ATOM 0 HA ASN A 52 12.746 5.105 -2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.851 2.298 -2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.459 3.787 -1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.743 2.166 1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.225 2.018 0.356 1.00 0.00 H new ATOM 724 N LYS A 53 13.809 2.792 -4.656 1.00 0.00 N ATOM 725 CA LYS A 53 14.534 2.597 -5.907 1.00 0.00 C ATOM 726 C LYS A 53 14.053 3.576 -6.973 1.00 0.00 C ATOM 727 O LYS A 53 14.768 3.867 -7.931 1.00 0.00 O ATOM 728 CB LYS A 53 14.359 1.160 -6.402 1.00 0.00 C ATOM 729 CG LYS A 53 15.407 0.200 -5.867 1.00 0.00 C ATOM 730 CD LYS A 53 15.043 -0.307 -4.482 1.00 0.00 C ATOM 731 CE LYS A 53 13.949 -1.362 -4.544 1.00 0.00 C ATOM 732 NZ LYS A 53 13.773 -2.056 -3.238 1.00 0.00 N ATOM 0 H LYS A 53 13.499 1.929 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 53 15.591 2.784 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.370 0.803 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.395 1.153 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.510 -0.644 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.375 0.700 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.928 -0.727 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.711 0.527 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.009 -0.894 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.193 -2.094 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.019 -2.767 -3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.662 -2.524 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.515 -1.362 -2.508 1.00 0.00 H new ATOM 746 N GLY A 54 12.836 4.083 -6.799 1.00 0.00 N ATOM 747 CA GLY A 54 12.281 5.024 -7.754 1.00 0.00 C ATOM 748 C GLY A 54 11.464 4.343 -8.833 1.00 0.00 C ATOM 749 O GLY A 54 11.308 4.875 -9.932 1.00 0.00 O ATOM 0 H GLY A 54 12.225 3.859 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.654 5.743 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.091 5.587 -8.217 1.00 0.00 H new ATOM 753 N GLU A 55 10.942 3.161 -8.521 1.00 0.00 N ATOM 754 CA GLU A 55 10.139 2.405 -9.474 1.00 0.00 C ATOM 755 C GLU A 55 8.651 2.669 -9.262 1.00 0.00 C ATOM 756 O GLU A 55 8.187 2.788 -8.129 1.00 0.00 O ATOM 757 CB GLU A 55 10.426 0.907 -9.343 1.00 0.00 C ATOM 758 CG GLU A 55 11.872 0.538 -9.626 1.00 0.00 C ATOM 759 CD GLU A 55 12.049 -0.938 -9.926 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.297 -1.466 -10.771 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.940 -1.565 -9.315 1.00 0.00 O ATOM 0 H GLU A 55 11.061 2.707 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 55 10.409 2.733 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.168 0.583 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.779 0.360 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.234 1.123 -10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.487 0.807 -8.767 1.00 0.00 H new ATOM 768 N GLN A 56 7.909 2.759 -10.362 1.00 0.00 N ATOM 769 CA GLN A 56 6.475 3.011 -10.296 1.00 0.00 C ATOM 770 C GLN A 56 5.688 1.820 -10.835 1.00 0.00 C ATOM 771 O GLN A 56 5.980 1.308 -11.914 1.00 0.00 O ATOM 772 CB GLN A 56 6.120 4.271 -11.087 1.00 0.00 C ATOM 773 CG GLN A 56 6.226 5.550 -10.272 1.00 0.00 C ATOM 774 CD GLN A 56 6.399 6.782 -11.139 1.00 0.00 C ATOM 775 OE1 GLN A 56 7.431 7.451 -11.088 1.00 0.00 O ATOM 776 NE2 GLN A 56 5.386 7.087 -11.942 1.00 0.00 N ATOM 0 H GLN A 56 8.277 2.661 -11.308 1.00 0.00 H new ATOM 0 HA GLN A 56 6.205 3.159 -9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.779 4.345 -11.952 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.103 4.176 -11.469 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.330 5.663 -9.662 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.070 5.471 -9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.549 6.504 -11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.445 7.904 -12.549 1.00 0.00 H new ATOM 785 N GLY A 57 4.688 1.384 -10.074 1.00 0.00 N ATOM 786 CA GLY A 57 3.876 0.257 -10.492 1.00 0.00 C ATOM 787 C GLY A 57 2.421 0.412 -10.096 1.00 0.00 C ATOM 788 O GLY A 57 2.054 1.372 -9.417 1.00 0.00 O ATOM 0 H GLY A 57 4.426 1.791 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.945 0.145 -11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.274 -0.657 -10.051 1.00 0.00 H new ATOM 792 N LEU A 58 1.589 -0.533 -10.521 1.00 0.00 N ATOM 793 CA LEU A 58 0.165 -0.496 -10.207 1.00 0.00 C ATOM 794 C LEU A 58 -0.130 -1.262 -8.922 1.00 0.00 C ATOM 795 O LEU A 58 0.410 -2.346 -8.695 1.00 0.00 O ATOM 796 CB LEU A 58 -0.647 -1.084 -11.363 1.00 0.00 C ATOM 797 CG LEU A 58 -0.745 -0.221 -12.621 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.467 -0.973 -13.729 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.452 1.091 -12.315 1.00 0.00 C ATOM 0 H LEU A 58 1.876 -1.334 -11.084 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.123 0.545 -10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.208 -2.043 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.657 -1.286 -11.006 1.00 0.00 H new ATOM 0 HG LEU A 58 0.265 0.006 -12.962 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.527 -0.343 -14.617 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.919 -1.884 -13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.473 -1.231 -13.398 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.512 1.692 -13.222 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.458 0.885 -11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.893 1.637 -11.555 1.00 0.00 H new ATOM 811 N VAL A 59 -0.991 -0.694 -8.084 1.00 0.00 N ATOM 812 CA VAL A 59 -1.360 -1.325 -6.822 1.00 0.00 C ATOM 813 C VAL A 59 -2.848 -1.154 -6.538 1.00 0.00 C ATOM 814 O VAL A 59 -3.429 -0.091 -6.755 1.00 0.00 O ATOM 815 CB VAL A 59 -0.554 -0.743 -5.646 1.00 0.00 C ATOM 816 CG1 VAL A 59 -0.995 -1.371 -4.333 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.937 -0.948 -5.870 1.00 0.00 C ATOM 0 H VAL A 59 -1.446 0.202 -8.256 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.130 -2.386 -6.919 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.747 0.328 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.414 -0.947 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.054 -1.168 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.834 -2.448 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.492 -0.531 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.149 -2.014 -5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.239 -0.446 -6.789 1.00 0.00 H new ATOM 827 N PRO A 60 -3.482 -2.227 -6.040 1.00 0.00 N ATOM 828 CA PRO A 60 -4.911 -2.221 -5.713 1.00 0.00 C ATOM 829 C PRO A 60 -5.225 -1.350 -4.501 1.00 0.00 C ATOM 830 O PRO A 60 -4.681 -1.558 -3.416 1.00 0.00 O ATOM 831 CB PRO A 60 -5.211 -3.690 -5.408 1.00 0.00 C ATOM 832 CG PRO A 60 -3.905 -4.261 -4.974 1.00 0.00 C ATOM 833 CD PRO A 60 -2.852 -3.527 -5.756 1.00 0.00 C ATOM 0 HA PRO A 60 -5.513 -1.808 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.964 -3.786 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.596 -4.206 -6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.758 -4.129 -3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.862 -5.332 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.933 -3.411 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.591 -4.056 -6.673 1.00 0.00 H new ATOM 841 N THR A 61 -6.106 -0.373 -4.693 1.00 0.00 N ATOM 842 CA THR A 61 -6.492 0.530 -3.616 1.00 0.00 C ATOM 843 C THR A 61 -7.230 -0.217 -2.510 1.00 0.00 C ATOM 844 O THR A 61 -7.494 0.338 -1.443 1.00 0.00 O ATOM 845 CB THR A 61 -7.387 1.672 -4.134 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.597 1.137 -4.680 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.663 2.487 -5.195 1.00 0.00 C ATOM 0 H THR A 61 -6.566 -0.187 -5.584 1.00 0.00 H new ATOM 0 HA THR A 61 -5.572 0.953 -3.213 1.00 0.00 H new ATOM 0 HB THR A 61 -7.626 2.326 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.484 0.987 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.314 3.288 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.757 2.917 -4.768 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.398 1.841 -6.032 1.00 0.00 H new ATOM 855 N ASP A 62 -7.560 -1.477 -2.772 1.00 0.00 N ATOM 856 CA ASP A 62 -8.266 -2.300 -1.798 1.00 0.00 C ATOM 857 C ASP A 62 -7.304 -2.845 -0.747 1.00 0.00 C ATOM 858 O ASP A 62 -7.685 -3.072 0.401 1.00 0.00 O ATOM 859 CB ASP A 62 -8.983 -3.455 -2.499 1.00 0.00 C ATOM 860 CG ASP A 62 -9.604 -4.431 -1.519 1.00 0.00 C ATOM 861 OD1 ASP A 62 -10.531 -4.027 -0.785 1.00 0.00 O ATOM 862 OD2 ASP A 62 -9.164 -5.599 -1.485 1.00 0.00 O ATOM 0 H ASP A 62 -7.350 -1.950 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.005 -1.674 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.760 -3.055 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.275 -3.985 -3.136 1.00 0.00 H new ATOM 867 N TYR A 63 -6.055 -3.055 -1.149 1.00 0.00 N ATOM 868 CA TYR A 63 -5.038 -3.576 -0.243 1.00 0.00 C ATOM 869 C TYR A 63 -4.426 -2.456 0.592 1.00 0.00 C ATOM 870 O TYR A 63 -3.914 -2.691 1.687 1.00 0.00 O ATOM 871 CB TYR A 63 -3.943 -4.296 -1.033 1.00 0.00 C ATOM 872 CG TYR A 63 -4.300 -5.718 -1.404 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.366 -5.989 -2.252 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.570 -6.791 -0.906 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.696 -7.286 -2.593 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.892 -8.091 -1.243 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.956 -8.334 -2.086 1.00 0.00 C ATOM 878 OH TYR A 63 -5.280 -9.628 -2.424 1.00 0.00 O ATOM 0 H TYR A 63 -5.723 -2.872 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.517 -4.286 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.734 -3.734 -1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.026 -4.302 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.947 -5.171 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.737 -6.605 -0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.529 -7.479 -3.253 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.313 -8.913 -0.848 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.660 -10.246 -1.984 1.00 0.00 H new ATOM 888 N VAL A 64 -4.483 -1.236 0.067 1.00 0.00 N ATOM 889 CA VAL A 64 -3.936 -0.078 0.763 1.00 0.00 C ATOM 890 C VAL A 64 -4.982 1.022 0.906 1.00 0.00 C ATOM 891 O VAL A 64 -5.691 1.344 -0.047 1.00 0.00 O ATOM 892 CB VAL A 64 -2.707 0.490 0.029 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.710 -0.618 -0.278 1.00 0.00 C ATOM 894 CG2 VAL A 64 -3.131 1.205 -1.244 1.00 0.00 C ATOM 0 H VAL A 64 -4.903 -1.024 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.633 -0.418 1.753 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.219 1.215 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.848 -0.198 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.383 -1.081 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.184 -1.369 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.250 1.600 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.643 0.503 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.804 2.025 -0.994 1.00 0.00 H new ATOM 904 N GLU A 65 -5.072 1.595 2.102 1.00 0.00 N ATOM 905 CA GLU A 65 -6.032 2.660 2.368 1.00 0.00 C ATOM 906 C GLU A 65 -5.326 4.004 2.520 1.00 0.00 C ATOM 907 O GLU A 65 -4.773 4.310 3.577 1.00 0.00 O ATOM 908 CB GLU A 65 -6.836 2.347 3.632 1.00 0.00 C ATOM 909 CG GLU A 65 -8.017 3.278 3.848 1.00 0.00 C ATOM 910 CD GLU A 65 -9.286 2.771 3.191 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.203 2.266 2.051 1.00 0.00 O ATOM 912 OE2 GLU A 65 -10.362 2.879 3.815 1.00 0.00 O ATOM 0 H GLU A 65 -4.492 1.340 2.902 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.713 2.722 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.199 1.321 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.175 2.406 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.189 3.399 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.775 4.264 3.451 1.00 0.00 H new ATOM 919 N ILE A 66 -5.349 4.801 1.457 1.00 0.00 N ATOM 920 CA ILE A 66 -4.712 6.112 1.473 1.00 0.00 C ATOM 921 C ILE A 66 -5.077 6.886 2.735 1.00 0.00 C ATOM 922 O ILE A 66 -6.219 6.841 3.196 1.00 0.00 O ATOM 923 CB ILE A 66 -5.109 6.945 0.240 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.710 6.217 -1.045 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.461 8.320 0.299 1.00 0.00 C ATOM 926 CD1 ILE A 66 -4.945 7.031 -2.299 1.00 0.00 C ATOM 0 H ILE A 66 -5.801 4.562 0.575 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.636 5.940 1.454 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.191 7.074 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.655 5.949 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.273 5.286 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.751 8.897 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.790 8.839 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.377 8.211 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.640 6.452 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.004 7.277 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.361 7.950 -2.251 1.00 0.00 H new ATOM 938 N LEU A 67 -4.102 7.598 3.288 1.00 0.00 N ATOM 939 CA LEU A 67 -4.321 8.385 4.497 1.00 0.00 C ATOM 940 C LEU A 67 -4.592 9.846 4.154 1.00 0.00 C ATOM 941 O LEU A 67 -4.026 10.404 3.214 1.00 0.00 O ATOM 942 CB LEU A 67 -3.106 8.284 5.422 1.00 0.00 C ATOM 943 CG LEU A 67 -2.475 6.897 5.552 1.00 0.00 C ATOM 944 CD1 LEU A 67 -0.992 7.013 5.869 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.189 6.084 6.622 1.00 0.00 C ATOM 0 H LEU A 67 -3.152 7.647 2.919 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.195 7.983 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.344 8.976 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.402 8.621 6.415 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.583 6.379 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.560 6.016 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.490 7.556 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.862 7.550 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.726 5.100 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.114 6.598 7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.239 5.971 6.353 1.00 0.00 H new ATOM 957 N PRO A 68 -5.479 10.482 4.934 1.00 0.00 N ATOM 958 CA PRO A 68 -5.844 11.888 4.734 1.00 0.00 C ATOM 959 C PRO A 68 -4.704 12.838 5.085 1.00 0.00 C ATOM 960 O PRO A 68 -3.723 12.441 5.711 1.00 0.00 O ATOM 961 CB PRO A 68 -7.021 12.088 5.690 1.00 0.00 C ATOM 962 CG PRO A 68 -6.827 11.061 6.751 1.00 0.00 C ATOM 963 CD PRO A 68 -6.192 9.879 6.072 1.00 0.00 C ATOM 0 HA PRO A 68 -6.082 12.103 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.024 13.094 6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.974 11.953 5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.190 11.441 7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.778 10.785 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.511 9.351 6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.938 9.157 5.741 1.00 0.00 H new