USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 680 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 92 ASN : amide:sc= -0.805 K(o=-2.3,f=-3.7) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -137:sc= -1.52! (180deg=-2.27!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.26 K(o=-1.3,f=-6.4!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.87 K(o=-0.87,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 159:sc= -0.175 (180deg=-0.85) USER MOD Single : A 60 THR OG1 : rot 104:sc= 0.295 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 63 SER OG : rot -36:sc= 0.495 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 98:sc= 1.57 USER MOD Single : A 75 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.022) USER MOD Single : A 76 SER OG : rot 150:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -129:sc= 0.652 USER MOD Single : A 96 ASN : amide:sc= -0.595 K(o=-0.59,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 3.580 -6.266 -13.491 1.00 72.34 N ATOM 111 CA ALA A 10 4.169 -5.379 -14.506 1.00 14.33 C ATOM 112 C ALA A 10 5.412 -6.000 -15.160 1.00 50.10 C ATOM 113 O ALA A 10 6.071 -6.862 -14.571 1.00 32.11 O ATOM 114 CB ALA A 10 4.500 -4.013 -13.899 1.00 45.11 C ATOM 0 HA ALA A 10 3.426 -5.242 -15.291 1.00 14.33 H new ATOM 0 HB1 ALA A 10 4.935 -3.370 -14.665 1.00 45.11 H new ATOM 0 HB2 ALA A 10 3.588 -3.555 -13.515 1.00 45.11 H new ATOM 0 HB3 ALA A 10 5.213 -4.140 -13.084 1.00 45.11 H new ATOM 120 N PRO A 11 5.729 -5.595 -16.409 1.00 24.34 N ATOM 121 CA PRO A 11 6.944 -6.045 -17.104 1.00 41.41 C ATOM 122 C PRO A 11 8.210 -5.551 -16.397 1.00 20.31 C ATOM 123 O PRO A 11 8.211 -4.469 -15.816 1.00 65.51 O ATOM 124 CB PRO A 11 6.814 -5.426 -18.507 1.00 11.44 C ATOM 125 CG PRO A 11 5.875 -4.278 -18.337 1.00 73.44 C ATOM 126 CD PRO A 11 4.921 -4.684 -17.246 1.00 61.32 C ATOM 0 HA PRO A 11 7.033 -7.131 -17.128 1.00 41.41 H new ATOM 0 HB2 PRO A 11 7.781 -5.092 -18.882 1.00 11.44 H new ATOM 0 HB3 PRO A 11 6.426 -6.150 -19.224 1.00 11.44 H new ATOM 0 HG2 PRO A 11 6.413 -3.370 -18.067 1.00 73.44 H new ATOM 0 HG3 PRO A 11 5.342 -4.069 -19.264 1.00 73.44 H new ATOM 0 HD2 PRO A 11 4.569 -3.823 -16.678 1.00 61.32 H new ATOM 0 HD3 PRO A 11 4.039 -5.183 -17.648 1.00 61.32 H new ATOM 134 N ALA A 12 9.285 -6.333 -16.480 1.00 22.03 N ATOM 135 CA ALA A 12 10.516 -6.075 -15.722 1.00 2.42 C ATOM 136 C ALA A 12 11.017 -4.632 -15.875 1.00 14.52 C ATOM 137 O ALA A 12 11.521 -4.037 -14.918 1.00 3.32 O ATOM 138 CB ALA A 12 11.605 -7.056 -16.143 1.00 73.14 C ATOM 0 H ALA A 12 9.331 -7.162 -17.072 1.00 22.03 H new ATOM 0 HA ALA A 12 10.277 -6.218 -14.668 1.00 2.42 H new ATOM 0 HB1 ALA A 12 12.514 -6.856 -15.575 1.00 73.14 H new ATOM 0 HB2 ALA A 12 11.272 -8.075 -15.948 1.00 73.14 H new ATOM 0 HB3 ALA A 12 11.809 -6.938 -17.207 1.00 73.14 H new ATOM 144 N GLU A 13 10.880 -4.074 -17.074 1.00 43.13 N ATOM 145 CA GLU A 13 11.342 -2.708 -17.346 1.00 63.20 C ATOM 146 C GLU A 13 10.528 -1.703 -16.533 1.00 15.52 C ATOM 147 O GLU A 13 11.079 -0.868 -15.815 1.00 35.31 O ATOM 148 CB GLU A 13 11.228 -2.360 -18.843 1.00 2.12 C ATOM 149 CG GLU A 13 11.962 -3.311 -19.785 1.00 30.10 C ATOM 150 CD GLU A 13 11.270 -4.654 -19.927 1.00 71.54 C ATOM 151 OE1 GLU A 13 10.226 -4.716 -20.605 1.00 12.35 O ATOM 152 OE2 GLU A 13 11.749 -5.647 -19.347 1.00 72.41 O ATOM 0 H GLU A 13 10.454 -4.542 -17.874 1.00 43.13 H new ATOM 0 HA GLU A 13 12.392 -2.654 -17.057 1.00 63.20 H new ATOM 0 HB2 GLU A 13 10.173 -2.344 -19.117 1.00 2.12 H new ATOM 0 HB3 GLU A 13 11.613 -1.352 -18.996 1.00 2.12 H new ATOM 0 HG2 GLU A 13 12.048 -2.847 -20.767 1.00 30.10 H new ATOM 0 HG3 GLU A 13 12.976 -3.468 -19.417 1.00 30.10 H new ATOM 159 N GLU A 14 9.213 -1.816 -16.648 1.00 54.52 N ATOM 160 CA GLU A 14 8.286 -0.885 -16.014 1.00 61.33 C ATOM 161 C GLU A 14 8.290 -1.065 -14.498 1.00 12.11 C ATOM 162 O GLU A 14 8.388 -0.094 -13.749 1.00 11.52 O ATOM 163 CB GLU A 14 6.881 -1.109 -16.588 1.00 1.33 C ATOM 164 CG GLU A 14 5.780 -0.273 -15.942 1.00 64.25 C ATOM 165 CD GLU A 14 4.445 -0.427 -16.658 1.00 30.25 C ATOM 166 OE1 GLU A 14 3.864 -1.532 -16.620 1.00 71.21 O ATOM 167 OE2 GLU A 14 3.974 0.556 -17.271 1.00 3.14 O ATOM 0 H GLU A 14 8.757 -2.555 -17.183 1.00 54.52 H new ATOM 0 HA GLU A 14 8.601 0.137 -16.223 1.00 61.33 H new ATOM 0 HB2 GLU A 14 6.902 -0.892 -17.656 1.00 1.33 H new ATOM 0 HB3 GLU A 14 6.625 -2.163 -16.482 1.00 1.33 H new ATOM 0 HG2 GLU A 14 5.667 -0.568 -14.899 1.00 64.25 H new ATOM 0 HG3 GLU A 14 6.074 0.777 -15.946 1.00 64.25 H new ATOM 174 N LEU A 15 8.218 -2.322 -14.069 1.00 72.43 N ATOM 175 CA LEU A 15 8.161 -2.671 -12.653 1.00 2.10 C ATOM 176 C LEU A 15 9.331 -2.053 -11.896 1.00 4.53 C ATOM 177 O LEU A 15 9.131 -1.399 -10.880 1.00 42.33 O ATOM 178 CB LEU A 15 8.143 -4.207 -12.491 1.00 53.41 C ATOM 179 CG LEU A 15 7.946 -4.761 -11.057 1.00 52.14 C ATOM 180 CD1 LEU A 15 9.251 -4.754 -10.259 1.00 11.21 C ATOM 181 CD2 LEU A 15 6.859 -3.981 -10.316 1.00 75.11 C ATOM 0 H LEU A 15 8.198 -3.128 -14.694 1.00 72.43 H new ATOM 0 HA LEU A 15 7.243 -2.267 -12.227 1.00 2.10 H new ATOM 0 HB2 LEU A 15 7.347 -4.605 -13.120 1.00 53.41 H new ATOM 0 HB3 LEU A 15 9.083 -4.600 -12.880 1.00 53.41 H new ATOM 0 HG LEU A 15 7.625 -5.798 -11.153 1.00 52.14 H new ATOM 0 HD11 LEU A 15 9.069 -5.150 -9.260 1.00 11.21 H new ATOM 0 HD12 LEU A 15 9.991 -5.374 -10.766 1.00 11.21 H new ATOM 0 HD13 LEU A 15 9.625 -3.733 -10.182 1.00 11.21 H new ATOM 0 HD21 LEU A 15 6.739 -4.388 -9.312 1.00 75.11 H new ATOM 0 HD22 LEU A 15 7.145 -2.931 -10.250 1.00 75.11 H new ATOM 0 HD23 LEU A 15 5.917 -4.067 -10.857 1.00 75.11 H new ATOM 193 N LEU A 16 10.544 -2.244 -12.409 1.00 41.31 N ATOM 194 CA LEU A 16 11.754 -1.780 -11.726 1.00 45.54 C ATOM 195 C LEU A 16 11.654 -0.292 -11.364 1.00 10.32 C ATOM 196 O LEU A 16 11.696 0.080 -10.185 1.00 71.00 O ATOM 197 CB LEU A 16 12.981 -2.036 -12.614 1.00 24.21 C ATOM 198 CG LEU A 16 14.339 -1.654 -11.998 1.00 34.40 C ATOM 199 CD1 LEU A 16 14.605 -2.447 -10.722 1.00 30.21 C ATOM 200 CD2 LEU A 16 15.467 -1.865 -13.006 1.00 31.12 C ATOM 0 H LEU A 16 10.718 -2.717 -13.296 1.00 41.31 H new ATOM 0 HA LEU A 16 11.860 -2.339 -10.796 1.00 45.54 H new ATOM 0 HB2 LEU A 16 13.005 -3.094 -12.874 1.00 24.21 H new ATOM 0 HB3 LEU A 16 12.856 -1.482 -13.544 1.00 24.21 H new ATOM 0 HG LEU A 16 14.303 -0.596 -11.737 1.00 34.40 H new ATOM 0 HD11 LEU A 16 15.571 -2.157 -10.308 1.00 30.21 H new ATOM 0 HD12 LEU A 16 13.821 -2.239 -9.994 1.00 30.21 H new ATOM 0 HD13 LEU A 16 14.614 -3.513 -10.951 1.00 30.21 H new ATOM 0 HD21 LEU A 16 16.418 -1.589 -12.551 1.00 31.12 H new ATOM 0 HD22 LEU A 16 15.498 -2.913 -13.304 1.00 31.12 H new ATOM 0 HD23 LEU A 16 15.291 -1.243 -13.884 1.00 31.12 H new ATOM 212 N ALA A 17 11.482 0.548 -12.379 1.00 33.24 N ATOM 213 CA ALA A 17 11.432 1.993 -12.180 1.00 11.02 C ATOM 214 C ALA A 17 10.237 2.391 -11.318 1.00 14.44 C ATOM 215 O ALA A 17 10.380 3.135 -10.341 1.00 24.30 O ATOM 216 CB ALA A 17 11.382 2.711 -13.526 1.00 10.12 C ATOM 0 H ALA A 17 11.375 0.253 -13.349 1.00 33.24 H new ATOM 0 HA ALA A 17 12.338 2.293 -11.654 1.00 11.02 H new ATOM 0 HB1 ALA A 17 11.345 3.788 -13.363 1.00 10.12 H new ATOM 0 HB2 ALA A 17 12.272 2.462 -14.104 1.00 10.12 H new ATOM 0 HB3 ALA A 17 10.494 2.396 -14.073 1.00 10.12 H new ATOM 222 N ASP A 18 9.066 1.869 -11.667 1.00 35.30 N ATOM 223 CA ASP A 18 7.831 2.263 -11.003 1.00 34.11 C ATOM 224 C ASP A 18 7.855 1.864 -9.533 1.00 2.02 C ATOM 225 O ASP A 18 7.498 2.656 -8.661 1.00 12.41 O ATOM 226 CB ASP A 18 6.613 1.645 -11.699 1.00 63.02 C ATOM 227 CG ASP A 18 5.318 2.294 -11.249 1.00 32.51 C ATOM 228 OD1 ASP A 18 4.613 1.714 -10.400 1.00 73.14 O ATOM 229 OD2 ASP A 18 5.011 3.408 -11.738 1.00 71.51 O ATOM 0 H ASP A 18 8.947 1.174 -12.404 1.00 35.30 H new ATOM 0 HA ASP A 18 7.751 3.348 -11.067 1.00 34.11 H new ATOM 0 HB2 ASP A 18 6.718 1.753 -12.779 1.00 63.02 H new ATOM 0 HB3 ASP A 18 6.577 0.576 -11.487 1.00 63.02 H new ATOM 234 N VAL A 19 8.302 0.643 -9.255 1.00 54.21 N ATOM 235 CA VAL A 19 8.371 0.162 -7.881 1.00 42.14 C ATOM 236 C VAL A 19 9.443 0.927 -7.116 1.00 43.25 C ATOM 237 O VAL A 19 9.285 1.195 -5.928 1.00 2.51 O ATOM 238 CB VAL A 19 8.638 -1.368 -7.782 1.00 41.33 C ATOM 239 CG1 VAL A 19 10.102 -1.711 -8.062 1.00 23.45 C ATOM 240 CG2 VAL A 19 8.211 -1.903 -6.415 1.00 21.35 C ATOM 0 H VAL A 19 8.619 -0.026 -9.957 1.00 54.21 H new ATOM 0 HA VAL A 19 7.392 0.340 -7.436 1.00 42.14 H new ATOM 0 HB VAL A 19 8.037 -1.854 -8.551 1.00 41.33 H new ATOM 0 HG11 VAL A 19 10.245 -2.789 -7.983 1.00 23.45 H new ATOM 0 HG12 VAL A 19 10.367 -1.383 -9.067 1.00 23.45 H new ATOM 0 HG13 VAL A 19 10.739 -1.206 -7.336 1.00 23.45 H new ATOM 0 HG21 VAL A 19 8.406 -2.974 -6.366 1.00 21.35 H new ATOM 0 HG22 VAL A 19 8.776 -1.396 -5.633 1.00 21.35 H new ATOM 0 HG23 VAL A 19 7.146 -1.721 -6.270 1.00 21.35 H new ATOM 250 N GLU A 20 10.530 1.291 -7.800 1.00 74.20 N ATOM 251 CA GLU A 20 11.569 2.111 -7.182 1.00 21.22 C ATOM 252 C GLU A 20 10.967 3.436 -6.709 1.00 45.21 C ATOM 253 O GLU A 20 11.257 3.904 -5.603 1.00 34.45 O ATOM 254 CB GLU A 20 12.723 2.380 -8.158 1.00 33.23 C ATOM 255 CG GLU A 20 13.919 3.082 -7.513 1.00 13.43 C ATOM 256 CD GLU A 20 14.973 3.516 -8.520 1.00 71.55 C ATOM 257 OE1 GLU A 20 15.114 4.739 -8.752 1.00 61.40 O ATOM 258 OE2 GLU A 20 15.662 2.642 -9.084 1.00 72.40 O ATOM 0 H GLU A 20 10.711 1.034 -8.770 1.00 74.20 H new ATOM 0 HA GLU A 20 11.971 1.565 -6.329 1.00 21.22 H new ATOM 0 HB2 GLU A 20 13.055 1.434 -8.585 1.00 33.23 H new ATOM 0 HB3 GLU A 20 12.355 2.990 -8.983 1.00 33.23 H new ATOM 0 HG2 GLU A 20 13.567 3.956 -6.965 1.00 13.43 H new ATOM 0 HG3 GLU A 20 14.376 2.412 -6.784 1.00 13.43 H new ATOM 265 N GLU A 21 10.124 4.030 -7.554 1.00 63.34 N ATOM 266 CA GLU A 21 9.437 5.270 -7.208 1.00 2.10 C ATOM 267 C GLU A 21 8.449 5.037 -6.066 1.00 50.04 C ATOM 268 O GLU A 21 8.479 5.737 -5.057 1.00 11.15 O ATOM 269 CB GLU A 21 8.704 5.831 -8.436 1.00 64.24 C ATOM 270 CG GLU A 21 9.636 6.206 -9.582 1.00 12.55 C ATOM 271 CD GLU A 21 8.892 6.746 -10.789 1.00 1.31 C ATOM 272 OE1 GLU A 21 8.454 7.914 -10.751 1.00 73.10 O ATOM 273 OE2 GLU A 21 8.750 6.015 -11.789 1.00 23.30 O ATOM 0 H GLU A 21 9.902 3.671 -8.482 1.00 63.34 H new ATOM 0 HA GLU A 21 10.181 5.996 -6.879 1.00 2.10 H new ATOM 0 HB2 GLU A 21 7.986 5.091 -8.790 1.00 64.24 H new ATOM 0 HB3 GLU A 21 8.135 6.711 -8.138 1.00 64.24 H new ATOM 0 HG2 GLU A 21 10.349 6.954 -9.235 1.00 12.55 H new ATOM 0 HG3 GLU A 21 10.212 5.329 -9.878 1.00 12.55 H new ATOM 280 N ALA A 22 7.603 4.025 -6.221 1.00 73.21 N ATOM 281 CA ALA A 22 6.571 3.710 -5.233 1.00 73.11 C ATOM 282 C ALA A 22 7.185 3.474 -3.855 1.00 65.14 C ATOM 283 O ALA A 22 6.697 3.991 -2.843 1.00 50.41 O ATOM 284 CB ALA A 22 5.774 2.486 -5.677 1.00 35.41 C ATOM 0 H ALA A 22 7.610 3.402 -7.028 1.00 73.21 H new ATOM 0 HA ALA A 22 5.897 4.563 -5.160 1.00 73.11 H new ATOM 0 HB1 ALA A 22 5.009 2.261 -4.934 1.00 35.41 H new ATOM 0 HB2 ALA A 22 5.299 2.690 -6.637 1.00 35.41 H new ATOM 0 HB3 ALA A 22 6.444 1.632 -5.778 1.00 35.41 H new ATOM 290 N MET A 23 8.281 2.717 -3.834 1.00 20.11 N ATOM 291 CA MET A 23 8.969 2.361 -2.591 1.00 70.41 C ATOM 292 C MET A 23 9.508 3.596 -1.874 1.00 20.20 C ATOM 293 O MET A 23 9.901 3.515 -0.722 1.00 5.43 O ATOM 294 CB MET A 23 10.115 1.369 -2.859 1.00 42.12 C ATOM 295 CG MET A 23 9.651 -0.036 -3.237 1.00 53.34 C ATOM 296 SD MET A 23 8.701 -0.841 -1.929 1.00 40.21 S ATOM 297 CE MET A 23 8.344 -2.425 -2.691 1.00 71.21 C ATOM 0 H MET A 23 8.716 2.334 -4.673 1.00 20.11 H new ATOM 0 HA MET A 23 8.234 1.884 -1.943 1.00 70.41 H new ATOM 0 HB2 MET A 23 10.740 1.761 -3.661 1.00 42.12 H new ATOM 0 HB3 MET A 23 10.741 1.306 -1.969 1.00 42.12 H new ATOM 0 HG2 MET A 23 9.042 0.019 -4.139 1.00 53.34 H new ATOM 0 HG3 MET A 23 10.521 -0.648 -3.476 1.00 53.34 H new ATOM 0 HE1 MET A 23 7.761 -3.037 -2.003 1.00 71.21 H new ATOM 0 HE2 MET A 23 7.776 -2.268 -3.608 1.00 71.21 H new ATOM 0 HE3 MET A 23 9.278 -2.934 -2.926 1.00 71.21 H new ATOM 307 N ARG A 24 9.540 4.729 -2.566 1.00 34.24 N ATOM 308 CA ARG A 24 9.984 5.987 -1.970 1.00 13.32 C ATOM 309 C ARG A 24 8.859 6.611 -1.142 1.00 10.15 C ATOM 310 O ARG A 24 9.116 7.276 -0.135 1.00 61.02 O ATOM 311 CB ARG A 24 10.448 6.942 -3.081 1.00 25.52 C ATOM 312 CG ARG A 24 10.529 8.411 -2.674 1.00 52.34 C ATOM 313 CD ARG A 24 10.935 9.291 -3.852 1.00 34.31 C ATOM 314 NE ARG A 24 10.223 8.915 -5.079 1.00 72.43 N ATOM 315 CZ ARG A 24 9.104 9.500 -5.516 1.00 40.41 C ATOM 316 NH1 ARG A 24 8.592 10.535 -4.864 1.00 75.14 N ATOM 317 NH2 ARG A 24 8.506 9.052 -6.613 1.00 43.35 N ATOM 0 H ARG A 24 9.263 4.804 -3.545 1.00 34.24 H new ATOM 0 HA ARG A 24 10.822 5.796 -1.300 1.00 13.32 H new ATOM 0 HB2 ARG A 24 11.430 6.622 -3.428 1.00 25.52 H new ATOM 0 HB3 ARG A 24 9.766 6.851 -3.926 1.00 25.52 H new ATOM 0 HG2 ARG A 24 9.563 8.738 -2.289 1.00 52.34 H new ATOM 0 HG3 ARG A 24 11.250 8.527 -1.865 1.00 52.34 H new ATOM 0 HD2 ARG A 24 10.727 10.335 -3.616 1.00 34.31 H new ATOM 0 HD3 ARG A 24 12.010 9.209 -4.015 1.00 34.31 H new ATOM 0 HE ARG A 24 10.609 8.154 -5.637 1.00 72.43 H new ATOM 0 HH11 ARG A 24 9.053 10.888 -4.025 1.00 75.14 H new ATOM 0 HH12 ARG A 24 7.738 10.978 -5.201 1.00 75.14 H new ATOM 0 HH21 ARG A 24 8.901 8.261 -7.122 1.00 43.35 H new ATOM 0 HH22 ARG A 24 7.652 9.498 -6.947 1.00 43.35 H new ATOM 331 N ASP A 25 7.615 6.370 -1.548 1.00 14.31 N ATOM 332 CA ASP A 25 6.461 6.990 -0.893 1.00 52.22 C ATOM 333 C ASP A 25 5.786 6.038 0.091 1.00 3.44 C ATOM 334 O ASP A 25 5.168 6.478 1.057 1.00 25.31 O ATOM 335 CB ASP A 25 5.436 7.460 -1.937 1.00 24.21 C ATOM 336 CG ASP A 25 5.920 8.653 -2.747 1.00 33.02 C ATOM 337 OD1 ASP A 25 6.471 8.450 -3.847 1.00 42.12 O ATOM 338 OD2 ASP A 25 5.738 9.801 -2.287 1.00 70.30 O ATOM 0 H ASP A 25 7.378 5.752 -2.324 1.00 14.31 H new ATOM 0 HA ASP A 25 6.833 7.849 -0.334 1.00 52.22 H new ATOM 0 HB2 ASP A 25 5.210 6.636 -2.613 1.00 24.21 H new ATOM 0 HB3 ASP A 25 4.506 7.723 -1.433 1.00 24.21 H new ATOM 343 N VAL A 26 5.902 4.735 -0.145 1.00 30.31 N ATOM 344 CA VAL A 26 5.232 3.744 0.704 1.00 52.14 C ATOM 345 C VAL A 26 6.192 3.138 1.730 1.00 63.31 C ATOM 346 O VAL A 26 5.931 2.069 2.285 1.00 24.21 O ATOM 347 CB VAL A 26 4.588 2.618 -0.143 1.00 33.01 C ATOM 348 CG1 VAL A 26 3.594 3.209 -1.141 1.00 45.44 C ATOM 349 CG2 VAL A 26 5.651 1.781 -0.855 1.00 42.35 C ATOM 0 H VAL A 26 6.448 4.338 -0.910 1.00 30.31 H new ATOM 0 HA VAL A 26 4.444 4.272 1.241 1.00 52.14 H new ATOM 0 HB VAL A 26 4.047 1.952 0.530 1.00 33.01 H new ATOM 0 HG11 VAL A 26 3.149 2.407 -1.730 1.00 45.44 H new ATOM 0 HG12 VAL A 26 2.810 3.741 -0.602 1.00 45.44 H new ATOM 0 HG13 VAL A 26 4.113 3.901 -1.804 1.00 45.44 H new ATOM 0 HG21 VAL A 26 5.167 1.000 -1.441 1.00 42.35 H new ATOM 0 HG22 VAL A 26 6.235 2.421 -1.516 1.00 42.35 H new ATOM 0 HG23 VAL A 26 6.310 1.325 -0.116 1.00 42.35 H new ATOM 359 N VAL A 27 7.288 3.839 1.997 1.00 62.22 N ATOM 360 CA VAL A 27 8.281 3.385 2.967 1.00 71.25 C ATOM 361 C VAL A 27 8.563 4.500 3.973 1.00 63.44 C ATOM 362 O VAL A 27 8.095 5.632 3.801 1.00 35.32 O ATOM 363 CB VAL A 27 9.607 2.974 2.262 1.00 22.14 C ATOM 364 CG1 VAL A 27 10.488 4.194 1.976 1.00 54.20 C ATOM 365 CG2 VAL A 27 10.371 1.926 3.070 1.00 32.25 C ATOM 0 H VAL A 27 7.513 4.729 1.553 1.00 62.22 H new ATOM 0 HA VAL A 27 7.881 2.512 3.482 1.00 71.25 H new ATOM 0 HB VAL A 27 9.338 2.524 1.306 1.00 22.14 H new ATOM 0 HG11 VAL A 27 11.406 3.873 1.484 1.00 54.20 H new ATOM 0 HG12 VAL A 27 9.951 4.886 1.327 1.00 54.20 H new ATOM 0 HG13 VAL A 27 10.735 4.692 2.913 1.00 54.20 H new ATOM 0 HG21 VAL A 27 11.291 1.663 2.548 1.00 32.25 H new ATOM 0 HG22 VAL A 27 10.615 2.331 4.052 1.00 32.25 H new ATOM 0 HG23 VAL A 27 9.753 1.036 3.187 1.00 32.25 H new ATOM 375 N ASP A 28 9.315 4.185 5.023 1.00 61.02 N ATOM 376 CA ASP A 28 9.800 5.203 5.950 1.00 31.44 C ATOM 377 C ASP A 28 11.298 5.409 5.737 1.00 41.14 C ATOM 378 O ASP A 28 12.115 4.710 6.336 1.00 15.03 O ATOM 379 CB ASP A 28 9.527 4.809 7.408 1.00 42.31 C ATOM 380 CG ASP A 28 9.978 5.883 8.393 1.00 21.21 C ATOM 381 OD1 ASP A 28 11.139 5.830 8.859 1.00 24.31 O ATOM 382 OD2 ASP A 28 9.178 6.793 8.700 1.00 52.21 O ATOM 0 H ASP A 28 9.602 3.234 5.254 1.00 61.02 H new ATOM 0 HA ASP A 28 9.266 6.132 5.751 1.00 31.44 H new ATOM 0 HB2 ASP A 28 8.461 4.624 7.538 1.00 42.31 H new ATOM 0 HB3 ASP A 28 10.042 3.875 7.632 1.00 42.31 H new ATOM 387 N PRO A 29 11.686 6.349 4.857 1.00 54.20 N ATOM 388 CA PRO A 29 13.093 6.618 4.572 1.00 61.50 C ATOM 389 C PRO A 29 13.711 7.537 5.626 1.00 22.11 C ATOM 390 O PRO A 29 14.903 7.845 5.581 1.00 64.42 O ATOM 391 CB PRO A 29 13.042 7.285 3.192 1.00 43.02 C ATOM 392 CG PRO A 29 11.718 7.981 3.145 1.00 23.10 C ATOM 393 CD PRO A 29 10.789 7.225 4.073 1.00 13.13 C ATOM 0 HA PRO A 29 13.715 5.723 4.588 1.00 61.50 H new ATOM 0 HB2 PRO A 29 13.863 7.990 3.064 1.00 43.02 H new ATOM 0 HB3 PRO A 29 13.128 6.547 2.394 1.00 43.02 H new ATOM 0 HG2 PRO A 29 11.817 9.020 3.460 1.00 23.10 H new ATOM 0 HG3 PRO A 29 11.324 7.992 2.129 1.00 23.10 H new ATOM 0 HD2 PRO A 29 10.233 7.905 4.719 1.00 13.13 H new ATOM 0 HD3 PRO A 29 10.055 6.644 3.514 1.00 13.13 H new ATOM 401 N GLU A 30 12.884 7.952 6.582 1.00 71.15 N ATOM 402 CA GLU A 30 13.324 8.823 7.663 1.00 20.42 C ATOM 403 C GLU A 30 14.282 8.081 8.591 1.00 41.12 C ATOM 404 O GLU A 30 15.428 8.501 8.781 1.00 33.51 O ATOM 405 CB GLU A 30 12.109 9.342 8.445 1.00 40.22 C ATOM 406 CG GLU A 30 11.148 10.169 7.595 1.00 43.20 C ATOM 407 CD GLU A 30 11.802 11.416 7.017 1.00 5.11 C ATOM 408 OE1 GLU A 30 12.308 11.363 5.876 1.00 51.33 O ATOM 409 OE2 GLU A 30 11.822 12.456 7.710 1.00 41.44 O ATOM 0 H GLU A 30 11.898 7.695 6.628 1.00 71.15 H new ATOM 0 HA GLU A 30 13.855 9.674 7.235 1.00 20.42 H new ATOM 0 HB2 GLU A 30 11.570 8.495 8.869 1.00 40.22 H new ATOM 0 HB3 GLU A 30 12.457 9.949 9.281 1.00 40.22 H new ATOM 0 HG2 GLU A 30 10.767 9.553 6.781 1.00 43.20 H new ATOM 0 HG3 GLU A 30 10.291 10.461 8.202 1.00 43.20 H new ATOM 416 N LEU A 31 13.818 6.969 9.151 1.00 63.22 N ATOM 417 CA LEU A 31 14.651 6.136 10.017 1.00 51.02 C ATOM 418 C LEU A 31 14.995 4.822 9.315 1.00 72.34 C ATOM 419 O LEU A 31 15.831 4.052 9.790 1.00 75.51 O ATOM 420 CB LEU A 31 13.945 5.874 11.355 1.00 52.33 C ATOM 421 CG LEU A 31 13.627 7.131 12.186 1.00 74.54 C ATOM 422 CD1 LEU A 31 12.954 6.755 13.505 1.00 51.10 C ATOM 423 CD2 LEU A 31 14.892 7.957 12.433 1.00 20.52 C ATOM 0 H LEU A 31 12.868 6.621 9.022 1.00 63.22 H new ATOM 0 HA LEU A 31 15.580 6.667 10.225 1.00 51.02 H new ATOM 0 HB2 LEU A 31 13.014 5.343 11.158 1.00 52.33 H new ATOM 0 HB3 LEU A 31 14.570 5.211 11.953 1.00 52.33 H new ATOM 0 HG LEU A 31 12.931 7.746 11.616 1.00 74.54 H new ATOM 0 HD11 LEU A 31 12.739 7.659 14.075 1.00 51.10 H new ATOM 0 HD12 LEU A 31 12.024 6.225 13.301 1.00 51.10 H new ATOM 0 HD13 LEU A 31 13.618 6.112 14.082 1.00 51.10 H new ATOM 0 HD21 LEU A 31 14.641 8.839 13.022 1.00 20.52 H new ATOM 0 HD22 LEU A 31 15.620 7.354 12.975 1.00 20.52 H new ATOM 0 HD23 LEU A 31 15.316 8.267 11.478 1.00 20.52 H new ATOM 435 N GLY A 32 14.339 4.573 8.184 1.00 74.24 N ATOM 436 CA GLY A 32 14.681 3.431 7.350 1.00 14.42 C ATOM 437 C GLY A 32 13.907 2.179 7.709 1.00 61.15 C ATOM 438 O GLY A 32 14.503 1.125 7.945 1.00 52.30 O ATOM 0 H GLY A 32 13.573 5.145 7.828 1.00 74.24 H new ATOM 0 HA2 GLY A 32 14.491 3.681 6.306 1.00 14.42 H new ATOM 0 HA3 GLY A 32 15.748 3.229 7.440 1.00 14.42 H new ATOM 442 N ILE A 33 12.581 2.288 7.758 1.00 1.53 N ATOM 443 CA ILE A 33 11.719 1.132 8.018 1.00 22.02 C ATOM 444 C ILE A 33 10.906 0.805 6.771 1.00 32.42 C ATOM 445 O ILE A 33 10.449 1.704 6.064 1.00 32.52 O ATOM 446 CB ILE A 33 10.732 1.354 9.203 1.00 31.23 C ATOM 447 CG1 ILE A 33 11.475 1.654 10.522 1.00 33.42 C ATOM 448 CG2 ILE A 33 9.815 0.140 9.383 1.00 34.22 C ATOM 449 CD1 ILE A 33 12.061 3.046 10.605 1.00 31.20 C ATOM 0 H ILE A 33 12.078 3.165 7.621 1.00 1.53 H new ATOM 0 HA ILE A 33 12.382 0.310 8.288 1.00 22.02 H new ATOM 0 HB ILE A 33 10.125 2.225 8.954 1.00 31.23 H new ATOM 0 HG12 ILE A 33 10.785 1.513 11.354 1.00 33.42 H new ATOM 0 HG13 ILE A 33 12.277 0.927 10.647 1.00 33.42 H new ATOM 0 HG21 ILE A 33 9.135 0.318 10.216 1.00 34.22 H new ATOM 0 HG22 ILE A 33 9.239 -0.019 8.472 1.00 34.22 H new ATOM 0 HG23 ILE A 33 10.418 -0.744 9.590 1.00 34.22 H new ATOM 0 HD11 ILE A 33 12.565 3.172 11.563 1.00 31.20 H new ATOM 0 HD12 ILE A 33 12.778 3.188 9.797 1.00 31.20 H new ATOM 0 HD13 ILE A 33 11.263 3.783 10.515 1.00 31.20 H new ATOM 461 N ASN A 34 10.726 -0.481 6.517 1.00 54.04 N ATOM 462 CA ASN A 34 9.947 -0.960 5.379 1.00 74.30 C ATOM 463 C ASN A 34 8.809 -1.851 5.873 1.00 42.24 C ATOM 464 O ASN A 34 9.040 -2.940 6.398 1.00 53.25 O ATOM 465 CB ASN A 34 10.846 -1.715 4.379 1.00 40.14 C ATOM 466 CG ASN A 34 11.626 -2.867 5.003 1.00 60.41 C ATOM 467 OD1 ASN A 34 11.973 -2.836 6.186 1.00 40.33 O ATOM 468 ND2 ASN A 34 11.916 -3.889 4.209 1.00 1.04 N ATOM 0 H ASN A 34 11.116 -1.227 7.094 1.00 54.04 H new ATOM 0 HA ASN A 34 9.520 -0.104 4.857 1.00 74.30 H new ATOM 0 HB2 ASN A 34 10.228 -2.103 3.570 1.00 40.14 H new ATOM 0 HB3 ASN A 34 11.549 -1.011 3.933 1.00 40.14 H new ATOM 0 HD21 ASN A 34 12.442 -4.684 4.572 1.00 1.04 H new ATOM 0 HD22 ASN A 34 11.613 -3.880 3.235 1.00 1.04 H new ATOM 475 N VAL A 35 7.576 -1.373 5.708 1.00 73.22 N ATOM 476 CA VAL A 35 6.394 -2.059 6.233 1.00 21.24 C ATOM 477 C VAL A 35 6.309 -3.514 5.752 1.00 74.12 C ATOM 478 O VAL A 35 5.873 -4.399 6.492 1.00 53.02 O ATOM 479 CB VAL A 35 5.095 -1.301 5.854 1.00 51.42 C ATOM 480 CG1 VAL A 35 5.096 0.105 6.462 1.00 60.12 C ATOM 481 CG2 VAL A 35 4.916 -1.235 4.335 1.00 45.13 C ATOM 0 H VAL A 35 7.368 -0.507 5.211 1.00 73.22 H new ATOM 0 HA VAL A 35 6.495 -2.070 7.318 1.00 21.24 H new ATOM 0 HB VAL A 35 4.250 -1.854 6.265 1.00 51.42 H new ATOM 0 HG11 VAL A 35 4.177 0.622 6.185 1.00 60.12 H new ATOM 0 HG12 VAL A 35 5.158 0.032 7.548 1.00 60.12 H new ATOM 0 HG13 VAL A 35 5.953 0.663 6.086 1.00 60.12 H new ATOM 0 HG21 VAL A 35 3.997 -0.698 4.100 1.00 45.13 H new ATOM 0 HG22 VAL A 35 5.764 -0.714 3.891 1.00 45.13 H new ATOM 0 HG23 VAL A 35 4.859 -2.246 3.931 1.00 45.13 H new ATOM 491 N VAL A 36 6.756 -3.759 4.522 1.00 61.15 N ATOM 492 CA VAL A 36 6.723 -5.100 3.934 1.00 63.12 C ATOM 493 C VAL A 36 7.462 -6.114 4.816 1.00 34.05 C ATOM 494 O VAL A 36 7.088 -7.289 4.876 1.00 64.01 O ATOM 495 CB VAL A 36 7.332 -5.103 2.506 1.00 13.33 C ATOM 496 CG1 VAL A 36 8.794 -4.652 2.527 1.00 15.41 C ATOM 497 CG2 VAL A 36 7.188 -6.478 1.852 1.00 70.30 C ATOM 0 H VAL A 36 7.147 -3.044 3.909 1.00 61.15 H new ATOM 0 HA VAL A 36 5.676 -5.395 3.868 1.00 63.12 H new ATOM 0 HB VAL A 36 6.774 -4.386 1.904 1.00 13.33 H new ATOM 0 HG11 VAL A 36 9.193 -4.664 1.513 1.00 15.41 H new ATOM 0 HG12 VAL A 36 8.857 -3.641 2.930 1.00 15.41 H new ATOM 0 HG13 VAL A 36 9.375 -5.329 3.154 1.00 15.41 H new ATOM 0 HG21 VAL A 36 7.623 -6.453 0.853 1.00 70.30 H new ATOM 0 HG22 VAL A 36 7.707 -7.224 2.455 1.00 70.30 H new ATOM 0 HG23 VAL A 36 6.132 -6.739 1.782 1.00 70.30 H new ATOM 507 N ASP A 37 8.481 -5.639 5.529 1.00 34.15 N ATOM 508 CA ASP A 37 9.329 -6.506 6.347 1.00 4.43 C ATOM 509 C ASP A 37 8.569 -7.056 7.554 1.00 74.24 C ATOM 510 O ASP A 37 8.978 -8.052 8.154 1.00 24.43 O ATOM 511 CB ASP A 37 10.581 -5.743 6.801 1.00 35.32 C ATOM 512 CG ASP A 37 11.533 -6.594 7.631 1.00 3.23 C ATOM 513 OD1 ASP A 37 11.956 -7.670 7.150 1.00 25.33 O ATOM 514 OD2 ASP A 37 11.886 -6.174 8.754 1.00 3.32 O ATOM 0 H ASP A 37 8.741 -4.653 5.557 1.00 34.15 H new ATOM 0 HA ASP A 37 9.633 -7.355 5.735 1.00 4.43 H new ATOM 0 HB2 ASP A 37 11.109 -5.369 5.924 1.00 35.32 H new ATOM 0 HB3 ASP A 37 10.277 -4.874 7.385 1.00 35.32 H new ATOM 519 N LEU A 38 7.451 -6.414 7.903 1.00 1.25 N ATOM 520 CA LEU A 38 6.593 -6.904 8.988 1.00 1.45 C ATOM 521 C LEU A 38 5.912 -8.209 8.564 1.00 70.52 C ATOM 522 O LEU A 38 5.305 -8.909 9.374 1.00 15.01 O ATOM 523 CB LEU A 38 5.546 -5.846 9.386 1.00 53.34 C ATOM 524 CG LEU A 38 6.075 -4.654 10.215 1.00 65.13 C ATOM 525 CD1 LEU A 38 6.671 -5.137 11.535 1.00 41.11 C ATOM 526 CD2 LEU A 38 7.102 -3.840 9.428 1.00 51.43 C ATOM 0 H LEU A 38 7.119 -5.560 7.455 1.00 1.25 H new ATOM 0 HA LEU A 38 7.215 -7.098 9.862 1.00 1.45 H new ATOM 0 HB2 LEU A 38 5.087 -5.457 8.477 1.00 53.34 H new ATOM 0 HB3 LEU A 38 4.758 -6.339 9.955 1.00 53.34 H new ATOM 0 HG LEU A 38 5.230 -4.002 10.434 1.00 65.13 H new ATOM 0 HD11 LEU A 38 7.038 -4.282 12.103 1.00 41.11 H new ATOM 0 HD12 LEU A 38 5.905 -5.655 12.112 1.00 41.11 H new ATOM 0 HD13 LEU A 38 7.497 -5.819 11.333 1.00 41.11 H new ATOM 0 HD21 LEU A 38 7.454 -3.009 10.040 1.00 51.43 H new ATOM 0 HD22 LEU A 38 7.945 -4.478 9.162 1.00 51.43 H new ATOM 0 HD23 LEU A 38 6.640 -3.452 8.520 1.00 51.43 H new ATOM 538 N GLY A 39 6.005 -8.493 7.270 1.00 52.45 N ATOM 539 CA GLY A 39 5.562 -9.756 6.704 1.00 74.22 C ATOM 540 C GLY A 39 4.078 -10.036 6.853 1.00 42.23 C ATOM 541 O GLY A 39 3.658 -11.191 6.782 1.00 74.22 O ATOM 0 H GLY A 39 6.393 -7.847 6.582 1.00 52.45 H new ATOM 0 HA2 GLY A 39 5.815 -9.771 5.644 1.00 74.22 H new ATOM 0 HA3 GLY A 39 6.119 -10.565 7.177 1.00 74.22 H new ATOM 545 N LEU A 40 3.273 -8.998 7.048 1.00 44.31 N ATOM 546 CA LEU A 40 1.825 -9.124 6.879 1.00 64.10 C ATOM 547 C LEU A 40 1.468 -8.604 5.490 1.00 34.44 C ATOM 548 O LEU A 40 0.562 -9.106 4.829 1.00 65.52 O ATOM 549 CB LEU A 40 1.051 -8.368 7.985 1.00 13.12 C ATOM 550 CG LEU A 40 -0.369 -8.907 8.298 1.00 70.15 C ATOM 551 CD1 LEU A 40 -0.960 -8.226 9.528 1.00 0.44 C ATOM 552 CD2 LEU A 40 -1.315 -8.733 7.112 1.00 43.42 C ATOM 0 H LEU A 40 3.591 -8.068 7.320 1.00 44.31 H new ATOM 0 HA LEU A 40 1.533 -10.170 6.971 1.00 64.10 H new ATOM 0 HB2 LEU A 40 1.641 -8.397 8.901 1.00 13.12 H new ATOM 0 HB3 LEU A 40 0.967 -7.321 7.693 1.00 13.12 H new ATOM 0 HG LEU A 40 -0.262 -9.973 8.500 1.00 70.15 H new ATOM 0 HD11 LEU A 40 -1.956 -8.625 9.722 1.00 0.44 H new ATOM 0 HD12 LEU A 40 -0.320 -8.413 10.390 1.00 0.44 H new ATOM 0 HD13 LEU A 40 -1.027 -7.152 9.352 1.00 0.44 H new ATOM 0 HD21 LEU A 40 -2.299 -9.123 7.371 1.00 43.42 H new ATOM 0 HD22 LEU A 40 -1.398 -7.675 6.865 1.00 43.42 H new ATOM 0 HD23 LEU A 40 -0.924 -9.277 6.252 1.00 43.42 H new ATOM 564 N VAL A 41 2.250 -7.623 5.041 1.00 75.24 N ATOM 565 CA VAL A 41 2.038 -6.973 3.749 1.00 42.43 C ATOM 566 C VAL A 41 2.270 -7.959 2.598 1.00 22.40 C ATOM 567 O VAL A 41 1.988 -7.658 1.439 1.00 64.02 O ATOM 568 CB VAL A 41 2.968 -5.738 3.595 1.00 41.30 C ATOM 569 CG1 VAL A 41 2.646 -4.953 2.322 1.00 11.34 C ATOM 570 CG2 VAL A 41 2.870 -4.836 4.826 1.00 3.00 C ATOM 0 H VAL A 41 3.047 -7.257 5.562 1.00 75.24 H new ATOM 0 HA VAL A 41 1.003 -6.634 3.710 1.00 42.43 H new ATOM 0 HB VAL A 41 3.993 -6.100 3.511 1.00 41.30 H new ATOM 0 HG11 VAL A 41 3.314 -4.096 2.244 1.00 11.34 H new ATOM 0 HG12 VAL A 41 2.780 -5.598 1.453 1.00 11.34 H new ATOM 0 HG13 VAL A 41 1.613 -4.606 2.360 1.00 11.34 H new ATOM 0 HG21 VAL A 41 3.528 -3.976 4.700 1.00 3.00 H new ATOM 0 HG22 VAL A 41 1.842 -4.492 4.944 1.00 3.00 H new ATOM 0 HG23 VAL A 41 3.170 -5.396 5.712 1.00 3.00 H new ATOM 580 N TYR A 42 2.789 -9.144 2.930 1.00 43.01 N ATOM 581 CA TYR A 42 2.898 -10.233 1.961 1.00 61.32 C ATOM 582 C TYR A 42 1.514 -10.592 1.431 1.00 2.30 C ATOM 583 O TYR A 42 1.374 -11.127 0.332 1.00 5.24 O ATOM 584 CB TYR A 42 3.525 -11.486 2.595 1.00 43.43 C ATOM 585 CG TYR A 42 4.988 -11.364 2.983 1.00 25.21 C ATOM 586 CD1 TYR A 42 5.494 -12.101 4.048 1.00 63.13 C ATOM 587 CD2 TYR A 42 5.864 -10.535 2.285 1.00 25.41 C ATOM 588 CE1 TYR A 42 6.823 -12.024 4.402 1.00 11.22 C ATOM 589 CE2 TYR A 42 7.197 -10.451 2.640 1.00 62.20 C ATOM 590 CZ TYR A 42 7.670 -11.198 3.700 1.00 12.35 C ATOM 591 OH TYR A 42 8.997 -11.134 4.053 1.00 21.33 O ATOM 0 H TYR A 42 3.139 -9.372 3.861 1.00 43.01 H new ATOM 0 HA TYR A 42 3.540 -9.892 1.148 1.00 61.32 H new ATOM 0 HB2 TYR A 42 2.952 -11.746 3.485 1.00 43.43 H new ATOM 0 HB3 TYR A 42 3.421 -12.316 1.896 1.00 43.43 H new ATOM 0 HD1 TYR A 42 4.833 -12.746 4.608 1.00 63.13 H new ATOM 0 HD2 TYR A 42 5.496 -9.950 1.455 1.00 25.41 H new ATOM 0 HE1 TYR A 42 7.199 -12.610 5.228 1.00 11.22 H new ATOM 0 HE2 TYR A 42 7.865 -9.804 2.091 1.00 62.20 H new ATOM 0 HH TYR A 42 9.463 -10.507 3.461 1.00 21.33 H new ATOM 601 N GLY A 43 0.499 -10.318 2.244 1.00 52.13 N ATOM 602 CA GLY A 43 -0.866 -10.617 1.877 1.00 24.21 C ATOM 603 C GLY A 43 -1.501 -9.492 1.090 1.00 71.42 C ATOM 604 O GLY A 43 -2.065 -8.563 1.664 1.00 13.33 O ATOM 0 H GLY A 43 0.605 -9.888 3.163 1.00 52.13 H new ATOM 0 HA2 GLY A 43 -0.890 -11.532 1.285 1.00 24.21 H new ATOM 0 HA3 GLY A 43 -1.451 -10.804 2.778 1.00 24.21 H new ATOM 608 N LEU A 44 -1.388 -9.564 -0.227 1.00 51.13 N ATOM 609 CA LEU A 44 -2.045 -8.610 -1.109 1.00 10.01 C ATOM 610 C LEU A 44 -2.664 -9.350 -2.290 1.00 14.12 C ATOM 611 O LEU A 44 -2.059 -10.272 -2.847 1.00 13.31 O ATOM 612 CB LEU A 44 -1.078 -7.475 -1.556 1.00 73.22 C ATOM 613 CG LEU A 44 0.110 -7.823 -2.497 1.00 4.24 C ATOM 614 CD1 LEU A 44 0.880 -9.055 -2.030 1.00 62.24 C ATOM 615 CD2 LEU A 44 -0.347 -7.973 -3.952 1.00 22.22 C ATOM 0 H LEU A 44 -0.844 -10.278 -0.712 1.00 51.13 H new ATOM 0 HA LEU A 44 -2.847 -8.115 -0.561 1.00 10.01 H new ATOM 0 HB2 LEU A 44 -1.676 -6.709 -2.050 1.00 73.22 H new ATOM 0 HB3 LEU A 44 -0.663 -7.023 -0.655 1.00 73.22 H new ATOM 0 HG LEU A 44 0.800 -6.980 -2.450 1.00 4.24 H new ATOM 0 HD11 LEU A 44 1.699 -9.256 -2.721 1.00 62.24 H new ATOM 0 HD12 LEU A 44 1.282 -8.876 -1.033 1.00 62.24 H new ATOM 0 HD13 LEU A 44 0.210 -9.914 -2.003 1.00 62.24 H new ATOM 0 HD21 LEU A 44 0.510 -8.216 -4.579 1.00 22.22 H new ATOM 0 HD22 LEU A 44 -1.085 -8.772 -4.021 1.00 22.22 H new ATOM 0 HD23 LEU A 44 -0.792 -7.038 -4.292 1.00 22.22 H new ATOM 627 N ASP A 45 -3.886 -8.971 -2.644 1.00 4.15 N ATOM 628 CA ASP A 45 -4.619 -9.621 -3.724 1.00 42.03 C ATOM 629 C ASP A 45 -5.292 -8.568 -4.588 1.00 0.14 C ATOM 630 O ASP A 45 -6.238 -7.908 -4.153 1.00 13.21 O ATOM 631 CB ASP A 45 -5.679 -10.590 -3.167 1.00 44.12 C ATOM 632 CG ASP A 45 -5.080 -11.727 -2.353 1.00 40.42 C ATOM 633 OD1 ASP A 45 -5.102 -11.655 -1.106 1.00 23.21 O ATOM 634 OD2 ASP A 45 -4.584 -12.701 -2.954 1.00 10.33 O ATOM 0 H ASP A 45 -4.394 -8.210 -2.194 1.00 4.15 H new ATOM 0 HA ASP A 45 -3.912 -10.194 -4.324 1.00 42.03 H new ATOM 0 HB2 ASP A 45 -6.379 -10.034 -2.543 1.00 44.12 H new ATOM 0 HB3 ASP A 45 -6.252 -11.007 -3.995 1.00 44.12 H new ATOM 639 N VAL A 46 -4.797 -8.386 -5.802 1.00 11.11 N ATOM 640 CA VAL A 46 -5.375 -7.408 -6.708 1.00 4.21 C ATOM 641 C VAL A 46 -6.401 -8.089 -7.619 1.00 2.13 C ATOM 642 O VAL A 46 -6.061 -8.901 -8.487 1.00 72.41 O ATOM 643 CB VAL A 46 -4.280 -6.663 -7.525 1.00 34.13 C ATOM 644 CG1 VAL A 46 -3.256 -6.030 -6.587 1.00 54.12 C ATOM 645 CG2 VAL A 46 -3.583 -7.586 -8.511 1.00 23.34 C ATOM 0 H VAL A 46 -4.001 -8.900 -6.181 1.00 11.11 H new ATOM 0 HA VAL A 46 -5.888 -6.649 -6.118 1.00 4.21 H new ATOM 0 HB VAL A 46 -4.777 -5.880 -8.098 1.00 34.13 H new ATOM 0 HG11 VAL A 46 -2.497 -5.513 -7.173 1.00 54.12 H new ATOM 0 HG12 VAL A 46 -3.756 -5.318 -5.931 1.00 54.12 H new ATOM 0 HG13 VAL A 46 -2.784 -6.807 -5.986 1.00 54.12 H new ATOM 0 HG21 VAL A 46 -2.826 -7.026 -9.061 1.00 23.34 H new ATOM 0 HG22 VAL A 46 -3.108 -8.404 -7.970 1.00 23.34 H new ATOM 0 HG23 VAL A 46 -4.315 -7.990 -9.210 1.00 23.34 H new ATOM 655 N GLN A 47 -7.667 -7.788 -7.375 1.00 51.50 N ATOM 656 CA GLN A 47 -8.765 -8.404 -8.106 1.00 64.42 C ATOM 657 C GLN A 47 -9.263 -7.460 -9.192 1.00 61.33 C ATOM 658 O GLN A 47 -9.671 -6.332 -8.907 1.00 53.11 O ATOM 659 CB GLN A 47 -9.908 -8.754 -7.143 1.00 54.10 C ATOM 660 CG GLN A 47 -9.503 -9.721 -6.033 1.00 60.33 C ATOM 661 CD GLN A 47 -10.635 -10.035 -5.062 1.00 63.52 C ATOM 662 OE1 GLN A 47 -10.702 -11.134 -4.509 1.00 42.42 O ATOM 663 NE2 GLN A 47 -11.526 -9.080 -4.839 1.00 1.04 N ATOM 0 H GLN A 47 -7.962 -7.114 -6.669 1.00 51.50 H new ATOM 0 HA GLN A 47 -8.408 -9.321 -8.574 1.00 64.42 H new ATOM 0 HB2 GLN A 47 -10.285 -7.836 -6.693 1.00 54.10 H new ATOM 0 HB3 GLN A 47 -10.729 -9.191 -7.712 1.00 54.10 H new ATOM 0 HG2 GLN A 47 -9.150 -10.650 -6.481 1.00 60.33 H new ATOM 0 HG3 GLN A 47 -8.666 -9.296 -5.479 1.00 60.33 H new ATOM 0 HE21 GLN A 47 -11.440 -8.181 -5.314 1.00 1.04 H new ATOM 0 HE22 GLN A 47 -12.298 -9.243 -4.192 1.00 1.04 H new ATOM 672 N ASP A 48 -9.209 -7.913 -10.439 1.00 1.41 N ATOM 673 CA ASP A 48 -9.688 -7.121 -11.566 1.00 65.12 C ATOM 674 C ASP A 48 -10.999 -7.702 -12.081 1.00 22.21 C ATOM 675 O ASP A 48 -11.182 -8.920 -12.102 1.00 11.30 O ATOM 676 CB ASP A 48 -8.643 -7.078 -12.697 1.00 13.42 C ATOM 677 CG ASP A 48 -8.478 -8.412 -13.416 1.00 15.44 C ATOM 678 OD1 ASP A 48 -9.195 -8.650 -14.413 1.00 15.13 O ATOM 679 OD2 ASP A 48 -7.623 -9.225 -12.997 1.00 30.44 O ATOM 0 H ASP A 48 -8.837 -8.827 -10.696 1.00 1.41 H new ATOM 0 HA ASP A 48 -9.855 -6.099 -11.225 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -8.932 -6.316 -13.421 1.00 13.42 H new ATOM 0 HB3 ASP A 48 -7.681 -6.775 -12.283 1.00 13.42 H new ATOM 684 N GLY A 49 -11.913 -6.828 -12.468 1.00 12.34 N ATOM 685 CA GLY A 49 -13.190 -7.262 -13.000 1.00 72.52 C ATOM 686 C GLY A 49 -13.819 -6.213 -13.891 1.00 25.44 C ATOM 687 O GLY A 49 -13.142 -5.279 -14.328 1.00 71.12 O ATOM 0 H GLY A 49 -11.793 -5.816 -12.423 1.00 12.34 H new ATOM 0 HA2 GLY A 49 -13.053 -8.183 -13.566 1.00 72.52 H new ATOM 0 HA3 GLY A 49 -13.867 -7.491 -12.177 1.00 72.52 H new ATOM 691 N ASP A 50 -15.112 -6.364 -14.153 1.00 51.11 N ATOM 692 CA ASP A 50 -15.851 -5.425 -14.998 1.00 65.42 C ATOM 693 C ASP A 50 -16.265 -4.209 -14.175 1.00 51.21 C ATOM 694 O ASP A 50 -16.421 -3.101 -14.695 1.00 1.55 O ATOM 695 CB ASP A 50 -17.092 -6.103 -15.592 1.00 22.34 C ATOM 696 CG ASP A 50 -16.760 -7.387 -16.336 1.00 50.34 C ATOM 697 OD1 ASP A 50 -16.577 -7.343 -17.571 1.00 70.10 O ATOM 698 OD2 ASP A 50 -16.679 -8.451 -15.683 1.00 45.33 O ATOM 0 H ASP A 50 -15.676 -7.133 -13.791 1.00 51.11 H new ATOM 0 HA ASP A 50 -15.206 -5.104 -15.816 1.00 65.42 H new ATOM 0 HB2 ASP A 50 -17.798 -6.324 -14.792 1.00 22.34 H new ATOM 0 HB3 ASP A 50 -17.588 -5.411 -16.273 1.00 22.34 H new ATOM 703 N GLU A 51 -16.433 -4.440 -12.875 1.00 3.40 N ATOM 704 CA GLU A 51 -16.789 -3.386 -11.931 1.00 30.22 C ATOM 705 C GLU A 51 -15.620 -2.411 -11.779 1.00 11.14 C ATOM 706 O GLU A 51 -15.809 -1.194 -11.719 1.00 24.43 O ATOM 707 CB GLU A 51 -17.140 -4.012 -10.568 1.00 0.43 C ATOM 708 CG GLU A 51 -17.696 -3.028 -9.542 1.00 14.35 C ATOM 709 CD GLU A 51 -19.076 -2.506 -9.914 1.00 5.12 C ATOM 710 OE1 GLU A 51 -20.084 -3.115 -9.495 1.00 63.33 O ATOM 711 OE2 GLU A 51 -19.160 -1.486 -10.628 1.00 53.52 O ATOM 0 H GLU A 51 -16.326 -5.360 -12.448 1.00 3.40 H new ATOM 0 HA GLU A 51 -17.655 -2.840 -12.305 1.00 30.22 H new ATOM 0 HB2 GLU A 51 -17.871 -4.805 -10.725 1.00 0.43 H new ATOM 0 HB3 GLU A 51 -16.246 -4.479 -10.156 1.00 0.43 H new ATOM 0 HG2 GLU A 51 -17.747 -3.515 -8.568 1.00 14.35 H new ATOM 0 HG3 GLU A 51 -17.009 -2.187 -9.442 1.00 14.35 H new ATOM 718 N GLY A 52 -14.411 -2.961 -11.755 1.00 22.24 N ATOM 719 CA GLY A 52 -13.216 -2.153 -11.606 1.00 54.30 C ATOM 720 C GLY A 52 -11.987 -3.004 -11.359 1.00 10.51 C ATOM 721 O GLY A 52 -12.049 -4.233 -11.455 1.00 52.33 O ATOM 0 H GLY A 52 -14.237 -3.963 -11.837 1.00 22.24 H new ATOM 0 HA2 GLY A 52 -13.068 -1.554 -12.504 1.00 54.30 H new ATOM 0 HA3 GLY A 52 -13.349 -1.457 -10.777 1.00 54.30 H new ATOM 725 N THR A 53 -10.874 -2.356 -11.043 1.00 61.23 N ATOM 726 CA THR A 53 -9.625 -3.049 -10.748 1.00 64.10 C ATOM 727 C THR A 53 -9.122 -2.622 -9.374 1.00 21.15 C ATOM 728 O THR A 53 -8.600 -1.514 -9.209 1.00 33.14 O ATOM 729 CB THR A 53 -8.548 -2.747 -11.812 1.00 23.33 C ATOM 730 OG1 THR A 53 -9.093 -2.947 -13.126 1.00 31.41 O ATOM 731 CG2 THR A 53 -7.320 -3.637 -11.624 1.00 61.22 C ATOM 0 H THR A 53 -10.810 -1.340 -10.984 1.00 61.23 H new ATOM 0 HA THR A 53 -9.818 -4.122 -10.759 1.00 64.10 H new ATOM 0 HB THR A 53 -8.238 -1.708 -11.696 1.00 23.33 H new ATOM 0 HG1 THR A 53 -8.407 -2.753 -13.798 1.00 31.41 H new ATOM 0 HG21 THR A 53 -6.579 -3.401 -12.388 1.00 61.22 H new ATOM 0 HG22 THR A 53 -6.892 -3.462 -10.637 1.00 61.22 H new ATOM 0 HG23 THR A 53 -7.612 -4.683 -11.713 1.00 61.22 H new ATOM 739 N VAL A 54 -9.287 -3.498 -8.393 1.00 24.12 N ATOM 740 CA VAL A 54 -9.020 -3.160 -7.000 1.00 24.44 C ATOM 741 C VAL A 54 -7.853 -3.967 -6.425 1.00 63.52 C ATOM 742 O VAL A 54 -7.844 -5.198 -6.465 1.00 32.44 O ATOM 743 CB VAL A 54 -10.286 -3.358 -6.125 1.00 64.24 C ATOM 744 CG1 VAL A 54 -10.822 -4.788 -6.241 1.00 40.52 C ATOM 745 CG2 VAL A 54 -10.006 -2.983 -4.666 1.00 53.34 C ATOM 0 H VAL A 54 -9.607 -4.456 -8.537 1.00 24.12 H new ATOM 0 HA VAL A 54 -8.739 -2.107 -6.981 1.00 24.44 H new ATOM 0 HB VAL A 54 -11.060 -2.688 -6.498 1.00 64.24 H new ATOM 0 HG11 VAL A 54 -11.709 -4.896 -5.617 1.00 40.52 H new ATOM 0 HG12 VAL A 54 -11.081 -4.996 -7.279 1.00 40.52 H new ATOM 0 HG13 VAL A 54 -10.058 -5.491 -5.910 1.00 40.52 H new ATOM 0 HG21 VAL A 54 -10.909 -3.130 -4.073 1.00 53.34 H new ATOM 0 HG22 VAL A 54 -9.208 -3.614 -4.275 1.00 53.34 H new ATOM 0 HG23 VAL A 54 -9.702 -1.938 -4.611 1.00 53.34 H new ATOM 755 N ALA A 55 -6.862 -3.251 -5.910 1.00 55.44 N ATOM 756 CA ALA A 55 -5.719 -3.852 -5.238 1.00 54.23 C ATOM 757 C ALA A 55 -5.989 -3.952 -3.734 1.00 62.40 C ATOM 758 O ALA A 55 -6.011 -2.935 -3.035 1.00 32.32 O ATOM 759 CB ALA A 55 -4.471 -3.011 -5.491 1.00 71.14 C ATOM 0 H ALA A 55 -6.829 -2.232 -5.947 1.00 55.44 H new ATOM 0 HA ALA A 55 -5.559 -4.855 -5.634 1.00 54.23 H new ATOM 0 HB1 ALA A 55 -3.618 -3.465 -4.986 1.00 71.14 H new ATOM 0 HB2 ALA A 55 -4.275 -2.963 -6.562 1.00 71.14 H new ATOM 0 HB3 ALA A 55 -4.627 -2.003 -5.106 1.00 71.14 H new ATOM 765 N LEU A 56 -6.226 -5.165 -3.240 1.00 31.15 N ATOM 766 CA LEU A 56 -6.445 -5.385 -1.809 1.00 31.23 C ATOM 767 C LEU A 56 -5.107 -5.604 -1.114 1.00 14.54 C ATOM 768 O LEU A 56 -4.297 -6.411 -1.572 1.00 11.11 O ATOM 769 CB LEU A 56 -7.360 -6.600 -1.577 1.00 35.54 C ATOM 770 CG LEU A 56 -8.742 -6.519 -2.247 1.00 62.14 C ATOM 771 CD1 LEU A 56 -9.534 -7.805 -2.017 1.00 61.24 C ATOM 772 CD2 LEU A 56 -9.519 -5.306 -1.740 1.00 44.41 C ATOM 0 H LEU A 56 -6.272 -6.011 -3.808 1.00 31.15 H new ATOM 0 HA LEU A 56 -6.932 -4.504 -1.392 1.00 31.23 H new ATOM 0 HB2 LEU A 56 -6.850 -7.493 -1.940 1.00 35.54 H new ATOM 0 HB3 LEU A 56 -7.502 -6.728 -0.504 1.00 35.54 H new ATOM 0 HG LEU A 56 -8.592 -6.402 -3.320 1.00 62.14 H new ATOM 0 HD11 LEU A 56 -10.508 -7.724 -2.500 1.00 61.24 H new ATOM 0 HD12 LEU A 56 -8.988 -8.649 -2.439 1.00 61.24 H new ATOM 0 HD13 LEU A 56 -9.672 -7.961 -0.947 1.00 61.24 H new ATOM 0 HD21 LEU A 56 -10.493 -5.268 -2.227 1.00 44.41 H new ATOM 0 HD22 LEU A 56 -9.655 -5.386 -0.662 1.00 44.41 H new ATOM 0 HD23 LEU A 56 -8.964 -4.396 -1.969 1.00 44.41 H new ATOM 784 N ILE A 57 -4.871 -4.884 -0.020 1.00 31.24 N ATOM 785 CA ILE A 57 -3.607 -4.986 0.711 1.00 14.15 C ATOM 786 C ILE A 57 -3.863 -5.178 2.203 1.00 4.11 C ATOM 787 O ILE A 57 -4.387 -4.282 2.875 1.00 41.15 O ATOM 788 CB ILE A 57 -2.725 -3.726 0.509 1.00 63.24 C ATOM 789 CG1 ILE A 57 -2.534 -3.430 -0.990 1.00 42.41 C ATOM 790 CG2 ILE A 57 -1.371 -3.908 1.196 1.00 13.44 C ATOM 791 CD1 ILE A 57 -1.691 -2.204 -1.266 1.00 63.53 C ATOM 0 H ILE A 57 -5.537 -4.224 0.381 1.00 31.24 H new ATOM 0 HA ILE A 57 -3.077 -5.851 0.313 1.00 14.15 H new ATOM 0 HB ILE A 57 -3.233 -2.875 0.963 1.00 63.24 H new ATOM 0 HG12 ILE A 57 -2.069 -4.294 -1.465 1.00 42.41 H new ATOM 0 HG13 ILE A 57 -3.512 -3.299 -1.453 1.00 42.41 H new ATOM 0 HG21 ILE A 57 -0.764 -3.016 1.045 1.00 13.44 H new ATOM 0 HG22 ILE A 57 -1.523 -4.067 2.264 1.00 13.44 H new ATOM 0 HG23 ILE A 57 -0.860 -4.771 0.770 1.00 13.44 H new ATOM 0 HD11 ILE A 57 -1.601 -2.059 -2.343 1.00 63.53 H new ATOM 0 HD12 ILE A 57 -2.165 -1.329 -0.821 1.00 63.53 H new ATOM 0 HD13 ILE A 57 -0.700 -2.339 -0.834 1.00 63.53 H new ATOM 803 N ASP A 58 -3.491 -6.349 2.712 1.00 15.41 N ATOM 804 CA ASP A 58 -3.635 -6.659 4.132 1.00 61.31 C ATOM 805 C ASP A 58 -2.482 -6.031 4.917 1.00 21.51 C ATOM 806 O ASP A 58 -1.317 -6.382 4.714 1.00 11.20 O ATOM 807 CB ASP A 58 -3.662 -8.183 4.376 1.00 64.23 C ATOM 808 CG ASP A 58 -4.868 -8.885 3.755 1.00 72.42 C ATOM 809 OD1 ASP A 58 -6.010 -8.605 4.177 1.00 1.23 O ATOM 810 OD2 ASP A 58 -4.684 -9.756 2.878 1.00 24.11 O ATOM 0 H ASP A 58 -3.085 -7.104 2.159 1.00 15.41 H new ATOM 0 HA ASP A 58 -4.584 -6.245 4.474 1.00 61.31 H new ATOM 0 HB2 ASP A 58 -2.750 -8.622 3.972 1.00 64.23 H new ATOM 0 HB3 ASP A 58 -3.658 -8.370 5.450 1.00 64.23 H new ATOM 815 N MET A 59 -2.804 -5.098 5.809 1.00 71.11 N ATOM 816 CA MET A 59 -1.790 -4.391 6.591 1.00 43.03 C ATOM 817 C MET A 59 -2.182 -4.307 8.064 1.00 10.42 C ATOM 818 O MET A 59 -3.299 -4.661 8.452 1.00 34.22 O ATOM 819 CB MET A 59 -1.554 -2.973 6.037 1.00 24.43 C ATOM 820 CG MET A 59 -0.850 -2.941 4.684 1.00 72.31 C ATOM 821 SD MET A 59 -0.499 -1.263 4.115 1.00 72.21 S ATOM 822 CE MET A 59 0.531 -0.648 5.446 1.00 72.31 C ATOM 0 H MET A 59 -3.762 -4.812 6.010 1.00 71.11 H new ATOM 0 HA MET A 59 -0.865 -4.962 6.509 1.00 43.03 H new ATOM 0 HB2 MET A 59 -2.514 -2.466 5.947 1.00 24.43 H new ATOM 0 HB3 MET A 59 -0.961 -2.408 6.756 1.00 24.43 H new ATOM 0 HG2 MET A 59 0.084 -3.499 4.753 1.00 72.31 H new ATOM 0 HG3 MET A 59 -1.471 -3.448 3.945 1.00 72.31 H new ATOM 0 HE1 MET A 59 1.119 0.198 5.090 1.00 72.31 H new ATOM 0 HE2 MET A 59 -0.099 -0.328 6.276 1.00 72.31 H new ATOM 0 HE3 MET A 59 1.200 -1.439 5.784 1.00 72.31 H new ATOM 832 N THR A 60 -1.236 -3.851 8.878 1.00 13.34 N ATOM 833 CA THR A 60 -1.455 -3.647 10.302 1.00 30.30 C ATOM 834 C THR A 60 -0.520 -2.546 10.803 1.00 11.11 C ATOM 835 O THR A 60 0.471 -2.218 10.144 1.00 5.11 O ATOM 836 CB THR A 60 -1.216 -4.949 11.109 1.00 41.15 C ATOM 837 OG1 THR A 60 -1.694 -4.801 12.454 1.00 55.22 O ATOM 838 CG2 THR A 60 0.265 -5.325 11.135 1.00 21.31 C ATOM 0 H THR A 60 -0.294 -3.613 8.566 1.00 13.34 H new ATOM 0 HA THR A 60 -2.494 -3.352 10.450 1.00 30.30 H new ATOM 0 HB THR A 60 -1.768 -5.747 10.612 1.00 41.15 H new ATOM 0 HG1 THR A 60 -2.541 -5.283 12.555 1.00 55.22 H new ATOM 0 HG21 THR A 60 0.398 -6.242 11.709 1.00 21.31 H new ATOM 0 HG22 THR A 60 0.619 -5.480 10.116 1.00 21.31 H new ATOM 0 HG23 THR A 60 0.836 -4.521 11.599 1.00 21.31 H new ATOM 846 N LEU A 61 -0.845 -1.972 11.954 1.00 61.53 N ATOM 847 CA LEU A 61 -0.034 -0.923 12.570 1.00 74.53 C ATOM 848 C LEU A 61 0.171 -1.244 14.047 1.00 53.34 C ATOM 849 O LEU A 61 -0.424 -2.192 14.556 1.00 44.13 O ATOM 850 CB LEU A 61 -0.702 0.456 12.408 1.00 22.02 C ATOM 851 CG LEU A 61 -0.885 0.945 10.956 1.00 5.30 C ATOM 852 CD1 LEU A 61 -1.632 2.277 10.922 1.00 25.34 C ATOM 853 CD2 LEU A 61 0.467 1.064 10.251 1.00 41.11 C ATOM 0 H LEU A 61 -1.678 -2.219 12.489 1.00 61.53 H new ATOM 0 HA LEU A 61 0.933 -0.886 12.069 1.00 74.53 H new ATOM 0 HB2 LEU A 61 -1.681 0.424 12.887 1.00 22.02 H new ATOM 0 HB3 LEU A 61 -0.107 1.193 12.948 1.00 22.02 H new ATOM 0 HG LEU A 61 -1.484 0.207 10.422 1.00 5.30 H new ATOM 0 HD11 LEU A 61 -1.749 2.602 9.888 1.00 25.34 H new ATOM 0 HD12 LEU A 61 -2.615 2.155 11.378 1.00 25.34 H new ATOM 0 HD13 LEU A 61 -1.066 3.026 11.476 1.00 25.34 H new ATOM 0 HD21 LEU A 61 0.315 1.410 9.229 1.00 41.11 H new ATOM 0 HD22 LEU A 61 1.095 1.777 10.786 1.00 41.11 H new ATOM 0 HD23 LEU A 61 0.956 0.090 10.235 1.00 41.11 H new ATOM 865 N THR A 62 0.995 -0.442 14.725 1.00 64.11 N ATOM 866 CA THR A 62 1.327 -0.656 16.136 1.00 4.21 C ATOM 867 C THR A 62 0.087 -1.000 16.974 1.00 63.13 C ATOM 868 O THR A 62 0.126 -1.885 17.830 1.00 12.15 O ATOM 869 CB THR A 62 2.011 0.600 16.721 1.00 45.12 C ATOM 870 OG1 THR A 62 3.047 1.036 15.829 1.00 11.35 O ATOM 871 CG2 THR A 62 2.607 0.326 18.102 1.00 74.42 C ATOM 0 H THR A 62 1.450 0.372 14.313 1.00 64.11 H new ATOM 0 HA THR A 62 2.010 -1.504 16.181 1.00 4.21 H new ATOM 0 HB THR A 62 1.255 1.378 16.831 1.00 45.12 H new ATOM 0 HG1 THR A 62 3.481 1.834 16.197 1.00 11.35 H new ATOM 0 HG21 THR A 62 3.079 1.232 18.481 1.00 74.42 H new ATOM 0 HG22 THR A 62 1.816 0.016 18.785 1.00 74.42 H new ATOM 0 HG23 THR A 62 3.352 -0.467 18.026 1.00 74.42 H new ATOM 879 N SER A 63 -1.012 -0.292 16.724 1.00 41.02 N ATOM 880 CA SER A 63 -2.276 -0.575 17.397 1.00 50.34 C ATOM 881 C SER A 63 -3.446 -0.415 16.421 1.00 55.15 C ATOM 882 O SER A 63 -4.607 -0.503 16.817 1.00 32.10 O ATOM 883 CB SER A 63 -2.445 0.357 18.608 1.00 21.22 C ATOM 884 OG SER A 63 -3.581 0.006 19.385 1.00 3.35 O ATOM 0 H SER A 63 -1.052 0.482 16.060 1.00 41.02 H new ATOM 0 HA SER A 63 -2.267 -1.606 17.751 1.00 50.34 H new ATOM 0 HB2 SER A 63 -1.551 0.312 19.230 1.00 21.22 H new ATOM 0 HB3 SER A 63 -2.543 1.387 18.264 1.00 21.22 H new ATOM 0 HG SER A 63 -4.302 -0.296 18.793 1.00 3.35 H new ATOM 890 N ALA A 64 -3.119 -0.160 15.148 1.00 12.44 N ATOM 891 CA ALA A 64 -4.118 0.021 14.082 1.00 41.20 C ATOM 892 C ALA A 64 -5.107 1.156 14.382 1.00 32.21 C ATOM 893 O ALA A 64 -6.082 1.339 13.657 1.00 12.32 O ATOM 894 CB ALA A 64 -4.867 -1.287 13.831 1.00 44.13 C ATOM 0 H ALA A 64 -2.155 -0.073 14.826 1.00 12.44 H new ATOM 0 HA ALA A 64 -3.574 0.307 13.181 1.00 41.20 H new ATOM 0 HB1 ALA A 64 -5.603 -1.139 13.040 1.00 44.13 H new ATOM 0 HB2 ALA A 64 -4.160 -2.059 13.529 1.00 44.13 H new ATOM 0 HB3 ALA A 64 -5.374 -1.597 14.745 1.00 44.13 H new ATOM 900 N ALA A 65 -4.839 1.929 15.433 1.00 45.14 N ATOM 901 CA ALA A 65 -5.692 3.058 15.809 1.00 53.32 C ATOM 902 C ALA A 65 -4.917 4.367 15.696 1.00 61.33 C ATOM 903 O ALA A 65 -5.341 5.406 16.204 1.00 63.32 O ATOM 904 CB ALA A 65 -6.223 2.864 17.227 1.00 43.34 C ATOM 0 H ALA A 65 -4.033 1.794 16.043 1.00 45.14 H new ATOM 0 HA ALA A 65 -6.540 3.104 15.126 1.00 53.32 H new ATOM 0 HB1 ALA A 65 -6.856 3.709 17.497 1.00 43.34 H new ATOM 0 HB2 ALA A 65 -6.806 1.944 17.275 1.00 43.34 H new ATOM 0 HB3 ALA A 65 -5.387 2.800 17.923 1.00 43.34 H new ATOM 910 N CYS A 66 -3.782 4.303 15.009 1.00 72.05 N ATOM 911 CA CYS A 66 -2.904 5.451 14.847 1.00 41.15 C ATOM 912 C CYS A 66 -3.264 6.220 13.570 1.00 14.22 C ATOM 913 O CYS A 66 -3.612 5.608 12.557 1.00 33.31 O ATOM 914 CB CYS A 66 -1.452 4.972 14.781 1.00 32.41 C ATOM 915 SG CYS A 66 -0.985 3.875 16.139 1.00 35.23 S ATOM 0 H CYS A 66 -3.447 3.455 14.551 1.00 72.05 H new ATOM 0 HA CYS A 66 -3.027 6.120 15.698 1.00 41.15 H new ATOM 0 HB2 CYS A 66 -1.293 4.453 13.836 1.00 32.41 H new ATOM 0 HB3 CYS A 66 -0.792 5.840 14.784 1.00 32.41 H new ATOM 0 HG CYS A 66 0.257 3.518 16.001 1.00 35.23 H new ATOM 921 N PRO A 67 -3.153 7.566 13.590 1.00 22.13 N ATOM 922 CA PRO A 67 -3.481 8.427 12.431 1.00 43.24 C ATOM 923 C PRO A 67 -2.559 8.199 11.221 1.00 70.20 C ATOM 924 O PRO A 67 -2.586 8.965 10.254 1.00 54.02 O ATOM 925 CB PRO A 67 -3.302 9.859 12.980 1.00 74.42 C ATOM 926 CG PRO A 67 -3.335 9.712 14.464 1.00 20.20 C ATOM 927 CD PRO A 67 -2.727 8.369 14.750 1.00 11.04 C ATOM 0 HA PRO A 67 -4.482 8.216 12.055 1.00 43.24 H new ATOM 0 HB2 PRO A 67 -2.359 10.294 12.648 1.00 74.42 H new ATOM 0 HB3 PRO A 67 -4.097 10.517 12.631 1.00 74.42 H new ATOM 0 HG2 PRO A 67 -2.772 10.509 14.950 1.00 20.20 H new ATOM 0 HG3 PRO A 67 -4.356 9.768 14.841 1.00 20.20 H new ATOM 0 HD2 PRO A 67 -1.641 8.424 14.827 1.00 11.04 H new ATOM 0 HD3 PRO A 67 -3.092 7.951 15.688 1.00 11.04 H new ATOM 935 N LEU A 68 -1.748 7.142 11.278 1.00 33.22 N ATOM 936 CA LEU A 68 -0.832 6.795 10.194 1.00 24.21 C ATOM 937 C LEU A 68 -1.627 6.176 9.039 1.00 71.44 C ATOM 938 O LEU A 68 -1.139 6.070 7.912 1.00 74.02 O ATOM 939 CB LEU A 68 0.238 5.812 10.724 1.00 43.22 C ATOM 940 CG LEU A 68 1.663 5.975 10.154 1.00 30.43 C ATOM 941 CD1 LEU A 68 2.640 5.058 10.885 1.00 5.43 C ATOM 942 CD2 LEU A 68 1.705 5.702 8.654 1.00 14.42 C ATOM 0 H LEU A 68 -1.708 6.505 12.074 1.00 33.22 H new ATOM 0 HA LEU A 68 -0.327 7.688 9.825 1.00 24.21 H new ATOM 0 HB2 LEU A 68 0.290 5.915 11.808 1.00 43.22 H new ATOM 0 HB3 LEU A 68 -0.099 4.796 10.517 1.00 43.22 H new ATOM 0 HG LEU A 68 1.962 7.011 10.312 1.00 30.43 H new ATOM 0 HD11 LEU A 68 3.640 5.186 10.470 1.00 5.43 H new ATOM 0 HD12 LEU A 68 2.652 5.311 11.945 1.00 5.43 H new ATOM 0 HD13 LEU A 68 2.327 4.021 10.763 1.00 5.43 H new ATOM 0 HD21 LEU A 68 2.725 5.827 8.290 1.00 14.42 H new ATOM 0 HD22 LEU A 68 1.373 4.682 8.460 1.00 14.42 H new ATOM 0 HD23 LEU A 68 1.047 6.402 8.138 1.00 14.42 H new ATOM 954 N THR A 69 -2.865 5.787 9.335 1.00 23.32 N ATOM 955 CA THR A 69 -3.743 5.180 8.345 1.00 51.24 C ATOM 956 C THR A 69 -3.936 6.110 7.139 1.00 14.23 C ATOM 957 O THR A 69 -3.817 5.680 5.992 1.00 42.23 O ATOM 958 CB THR A 69 -5.114 4.795 8.963 1.00 0.41 C ATOM 959 OG1 THR A 69 -5.918 4.103 8.003 1.00 62.13 O ATOM 960 CG2 THR A 69 -5.871 6.016 9.477 1.00 34.20 C ATOM 0 H THR A 69 -3.283 5.884 10.261 1.00 23.32 H new ATOM 0 HA THR A 69 -3.263 4.264 7.999 1.00 51.24 H new ATOM 0 HB THR A 69 -4.911 4.141 9.811 1.00 0.41 H new ATOM 0 HG1 THR A 69 -5.840 3.137 8.147 1.00 62.13 H new ATOM 0 HG21 THR A 69 -6.824 5.701 9.901 1.00 34.20 H new ATOM 0 HG22 THR A 69 -5.279 6.514 10.245 1.00 34.20 H new ATOM 0 HG23 THR A 69 -6.051 6.706 8.653 1.00 34.20 H new ATOM 968 N ASP A 70 -4.191 7.394 7.405 1.00 30.12 N ATOM 969 CA ASP A 70 -4.363 8.384 6.340 1.00 24.20 C ATOM 970 C ASP A 70 -3.115 8.442 5.467 1.00 33.13 C ATOM 971 O ASP A 70 -3.196 8.519 4.244 1.00 44.01 O ATOM 972 CB ASP A 70 -4.627 9.780 6.928 1.00 23.13 C ATOM 973 CG ASP A 70 -5.882 9.843 7.783 1.00 4.12 C ATOM 974 OD1 ASP A 70 -5.836 9.376 8.941 1.00 54.01 O ATOM 975 OD2 ASP A 70 -6.907 10.385 7.316 1.00 2.35 O ATOM 0 H ASP A 70 -4.283 7.771 8.348 1.00 30.12 H new ATOM 0 HA ASP A 70 -5.220 8.082 5.738 1.00 24.20 H new ATOM 0 HB2 ASP A 70 -3.770 10.081 7.530 1.00 23.13 H new ATOM 0 HB3 ASP A 70 -4.714 10.499 6.114 1.00 23.13 H new ATOM 980 N VAL A 71 -1.959 8.393 6.125 1.00 0.41 N ATOM 981 CA VAL A 71 -0.672 8.498 5.447 1.00 52.11 C ATOM 982 C VAL A 71 -0.459 7.327 4.487 1.00 12.40 C ATOM 983 O VAL A 71 -0.165 7.529 3.304 1.00 2.11 O ATOM 984 CB VAL A 71 0.493 8.558 6.469 1.00 50.00 C ATOM 985 CG1 VAL A 71 1.841 8.696 5.762 1.00 42.03 C ATOM 986 CG2 VAL A 71 0.279 9.701 7.464 1.00 35.01 C ATOM 0 H VAL A 71 -1.889 8.280 7.136 1.00 0.41 H new ATOM 0 HA VAL A 71 -0.681 9.424 4.872 1.00 52.11 H new ATOM 0 HB VAL A 71 0.504 7.619 7.023 1.00 50.00 H new ATOM 0 HG11 VAL A 71 2.639 8.736 6.504 1.00 42.03 H new ATOM 0 HG12 VAL A 71 1.997 7.839 5.106 1.00 42.03 H new ATOM 0 HG13 VAL A 71 1.850 9.612 5.171 1.00 42.03 H new ATOM 0 HG21 VAL A 71 1.107 9.726 8.173 1.00 35.01 H new ATOM 0 HG22 VAL A 71 0.233 10.648 6.926 1.00 35.01 H new ATOM 0 HG23 VAL A 71 -0.655 9.544 8.003 1.00 35.01 H new ATOM 996 N ILE A 72 -0.620 6.097 4.985 1.00 40.35 N ATOM 997 CA ILE A 72 -0.427 4.918 4.143 1.00 70.52 C ATOM 998 C ILE A 72 -1.442 4.886 2.997 1.00 55.22 C ATOM 999 O ILE A 72 -1.082 4.592 1.855 1.00 72.21 O ATOM 1000 CB ILE A 72 -0.488 3.595 4.942 1.00 34.34 C ATOM 1001 CG1 ILE A 72 -1.823 3.454 5.677 1.00 52.54 C ATOM 1002 CG2 ILE A 72 0.681 3.510 5.924 1.00 13.14 C ATOM 1003 CD1 ILE A 72 -1.929 2.172 6.460 1.00 23.12 C ATOM 0 H ILE A 72 -0.879 5.896 5.951 1.00 40.35 H new ATOM 0 HA ILE A 72 0.578 5.002 3.729 1.00 70.52 H new ATOM 0 HB ILE A 72 -0.408 2.769 4.235 1.00 34.34 H new ATOM 0 HG12 ILE A 72 -1.950 4.299 6.354 1.00 52.54 H new ATOM 0 HG13 ILE A 72 -2.637 3.500 4.953 1.00 52.54 H new ATOM 0 HG21 ILE A 72 0.623 2.573 6.478 1.00 13.14 H new ATOM 0 HG22 ILE A 72 1.621 3.549 5.374 1.00 13.14 H new ATOM 0 HG23 ILE A 72 0.633 4.347 6.620 1.00 13.14 H new ATOM 0 HD11 ILE A 72 -2.897 2.129 6.959 1.00 23.12 H new ATOM 0 HD12 ILE A 72 -1.832 1.323 5.783 1.00 23.12 H new ATOM 0 HD13 ILE A 72 -1.135 2.134 7.205 1.00 23.12 H new ATOM 1015 N GLU A 73 -2.695 5.224 3.298 1.00 25.25 N ATOM 1016 CA GLU A 73 -3.753 5.243 2.289 1.00 21.23 C ATOM 1017 C GLU A 73 -3.444 6.263 1.200 1.00 22.33 C ATOM 1018 O GLU A 73 -3.462 5.937 0.012 1.00 52.33 O ATOM 1019 CB GLU A 73 -5.112 5.557 2.930 1.00 21.44 C ATOM 1020 CG GLU A 73 -5.649 4.437 3.808 1.00 0.21 C ATOM 1021 CD GLU A 73 -6.979 4.790 4.473 1.00 42.21 C ATOM 1022 OE1 GLU A 73 -8.047 4.483 3.896 1.00 73.34 O ATOM 1023 OE2 GLU A 73 -6.959 5.373 5.583 1.00 44.34 O ATOM 0 H GLU A 73 -3.003 5.489 4.234 1.00 25.25 H new ATOM 0 HA GLU A 73 -3.800 4.252 1.837 1.00 21.23 H new ATOM 0 HB2 GLU A 73 -5.020 6.463 3.529 1.00 21.44 H new ATOM 0 HB3 GLU A 73 -5.835 5.767 2.142 1.00 21.44 H new ATOM 0 HG2 GLU A 73 -5.777 3.538 3.204 1.00 0.21 H new ATOM 0 HG3 GLU A 73 -4.914 4.202 4.578 1.00 0.21 H new ATOM 1030 N ASP A 74 -3.139 7.493 1.610 1.00 71.20 N ATOM 1031 CA ASP A 74 -2.896 8.583 0.666 1.00 74.43 C ATOM 1032 C ASP A 74 -1.698 8.275 -0.223 1.00 4.23 C ATOM 1033 O ASP A 74 -1.799 8.323 -1.445 1.00 35.21 O ATOM 1034 CB ASP A 74 -2.652 9.904 1.407 1.00 20.53 C ATOM 1035 CG ASP A 74 -2.397 11.066 0.453 1.00 53.25 C ATOM 1036 OD1 ASP A 74 -3.376 11.695 -0.003 1.00 41.32 O ATOM 1037 OD2 ASP A 74 -1.218 11.360 0.154 1.00 55.25 O ATOM 0 H ASP A 74 -3.054 7.760 2.591 1.00 71.20 H new ATOM 0 HA ASP A 74 -3.786 8.682 0.044 1.00 74.43 H new ATOM 0 HB2 ASP A 74 -3.516 10.133 2.031 1.00 20.53 H new ATOM 0 HB3 ASP A 74 -1.798 9.791 2.074 1.00 20.53 H new ATOM 1042 N GLN A 75 -0.576 7.923 0.399 1.00 24.14 N ATOM 1043 CA GLN A 75 0.667 7.674 -0.332 1.00 72.33 C ATOM 1044 C GLN A 75 0.527 6.473 -1.263 1.00 3.43 C ATOM 1045 O GLN A 75 0.950 6.523 -2.423 1.00 45.44 O ATOM 1046 CB GLN A 75 1.836 7.469 0.644 1.00 2.22 C ATOM 1047 CG GLN A 75 2.194 8.729 1.429 1.00 64.33 C ATOM 1048 CD GLN A 75 3.319 8.518 2.431 1.00 5.20 C ATOM 1049 OE1 GLN A 75 4.103 9.430 2.703 1.00 54.20 O ATOM 1050 NE2 GLN A 75 3.399 7.325 3.000 1.00 70.43 N ATOM 0 H GLN A 75 -0.500 7.803 1.409 1.00 24.14 H new ATOM 0 HA GLN A 75 0.878 8.550 -0.945 1.00 72.33 H new ATOM 0 HB2 GLN A 75 1.581 6.673 1.344 1.00 2.22 H new ATOM 0 HB3 GLN A 75 2.711 7.135 0.087 1.00 2.22 H new ATOM 0 HG2 GLN A 75 2.483 9.514 0.730 1.00 64.33 H new ATOM 0 HG3 GLN A 75 1.309 9.083 1.957 1.00 64.33 H new ATOM 0 HE21 GLN A 75 2.732 6.595 2.750 1.00 70.43 H new ATOM 0 HE22 GLN A 75 4.127 7.136 3.689 1.00 70.43 H new ATOM 1059 N SER A 76 -0.082 5.402 -0.761 1.00 65.35 N ATOM 1060 CA SER A 76 -0.276 4.195 -1.553 1.00 12.41 C ATOM 1061 C SER A 76 -1.219 4.476 -2.722 1.00 54.00 C ATOM 1062 O SER A 76 -0.835 4.330 -3.885 1.00 21.21 O ATOM 1063 CB SER A 76 -0.826 3.061 -0.680 1.00 0.23 C ATOM 1064 OG SER A 76 -0.954 1.852 -1.410 1.00 11.43 O ATOM 0 H SER A 76 -0.448 5.347 0.189 1.00 65.35 H new ATOM 0 HA SER A 76 0.689 3.882 -1.952 1.00 12.41 H new ATOM 0 HB2 SER A 76 -0.164 2.904 0.172 1.00 0.23 H new ATOM 0 HB3 SER A 76 -1.798 3.349 -0.279 1.00 0.23 H new ATOM 0 HG SER A 76 -0.831 1.090 -0.806 1.00 11.43 H new ATOM 1070 N ARG A 77 -2.445 4.913 -2.410 1.00 41.14 N ATOM 1071 CA ARG A 77 -3.455 5.176 -3.438 1.00 23.11 C ATOM 1072 C ARG A 77 -2.926 6.158 -4.480 1.00 71.41 C ATOM 1073 O ARG A 77 -3.059 5.924 -5.680 1.00 53.24 O ATOM 1074 CB ARG A 77 -4.746 5.721 -2.803 1.00 60.03 C ATOM 1075 CG ARG A 77 -5.906 5.859 -3.790 1.00 50.31 C ATOM 1076 CD ARG A 77 -7.191 6.316 -3.105 1.00 30.25 C ATOM 1077 NE ARG A 77 -8.336 6.295 -4.022 1.00 53.32 N ATOM 1078 CZ ARG A 77 -9.614 6.284 -3.638 1.00 62.14 C ATOM 1079 NH1 ARG A 77 -9.934 6.349 -2.350 1.00 23.32 N ATOM 1080 NH2 ARG A 77 -10.571 6.216 -4.550 1.00 33.05 N ATOM 0 H ARG A 77 -2.760 5.091 -1.456 1.00 41.14 H new ATOM 0 HA ARG A 77 -3.682 4.233 -3.936 1.00 23.11 H new ATOM 0 HB2 ARG A 77 -5.048 5.060 -1.991 1.00 60.03 H new ATOM 0 HB3 ARG A 77 -4.539 6.695 -2.360 1.00 60.03 H new ATOM 0 HG2 ARG A 77 -5.637 6.573 -4.568 1.00 50.31 H new ATOM 0 HG3 ARG A 77 -6.079 4.902 -4.282 1.00 50.31 H new ATOM 0 HD2 ARG A 77 -7.397 5.670 -2.252 1.00 30.25 H new ATOM 0 HD3 ARG A 77 -7.056 7.325 -2.716 1.00 30.25 H new ATOM 0 HE ARG A 77 -8.142 6.288 -5.023 1.00 53.32 H new ATOM 0 HH11 ARG A 77 -9.200 6.408 -1.644 1.00 23.32 H new ATOM 0 HH12 ARG A 77 -10.914 6.340 -2.067 1.00 23.32 H new ATOM 0 HH21 ARG A 77 -10.330 6.172 -5.540 1.00 33.05 H new ATOM 0 HH22 ARG A 77 -11.550 6.207 -4.263 1.00 33.05 H new ATOM 1094 N SER A 78 -2.303 7.234 -4.003 1.00 52.24 N ATOM 1095 CA SER A 78 -1.783 8.289 -4.867 1.00 74.25 C ATOM 1096 C SER A 78 -0.828 7.720 -5.919 1.00 12.40 C ATOM 1097 O SER A 78 -0.938 8.034 -7.106 1.00 23.14 O ATOM 1098 CB SER A 78 -1.066 9.350 -4.020 1.00 20.41 C ATOM 1099 OG SER A 78 -0.690 10.482 -4.788 1.00 61.24 O ATOM 0 H SER A 78 -2.145 7.398 -3.009 1.00 52.24 H new ATOM 0 HA SER A 78 -2.622 8.750 -5.388 1.00 74.25 H new ATOM 0 HB2 SER A 78 -1.719 9.665 -3.206 1.00 20.41 H new ATOM 0 HB3 SER A 78 -0.179 8.911 -3.565 1.00 20.41 H new ATOM 0 HG SER A 78 -0.238 11.133 -4.211 1.00 61.24 H new ATOM 1105 N ALA A 79 0.104 6.877 -5.481 1.00 40.20 N ATOM 1106 CA ALA A 79 1.100 6.323 -6.388 1.00 73.20 C ATOM 1107 C ALA A 79 0.487 5.252 -7.290 1.00 41.23 C ATOM 1108 O ALA A 79 0.571 5.341 -8.513 1.00 74.12 O ATOM 1109 CB ALA A 79 2.270 5.747 -5.595 1.00 44.24 C ATOM 0 H ALA A 79 0.189 6.566 -4.513 1.00 40.20 H new ATOM 0 HA ALA A 79 1.467 7.128 -7.025 1.00 73.20 H new ATOM 0 HB1 ALA A 79 3.008 5.336 -6.283 1.00 44.24 H new ATOM 0 HB2 ALA A 79 2.729 6.536 -4.999 1.00 44.24 H new ATOM 0 HB3 ALA A 79 1.909 4.958 -4.936 1.00 44.24 H new ATOM 1115 N LEU A 80 -0.205 4.292 -6.676 1.00 73.32 N ATOM 1116 CA LEU A 80 -0.729 3.131 -7.397 1.00 53.15 C ATOM 1117 C LEU A 80 -1.680 3.553 -8.516 1.00 51.10 C ATOM 1118 O LEU A 80 -1.652 2.984 -9.613 1.00 41.21 O ATOM 1119 CB LEU A 80 -1.437 2.171 -6.429 1.00 14.31 C ATOM 1120 CG LEU A 80 -0.529 1.521 -5.366 1.00 45.40 C ATOM 1121 CD1 LEU A 80 -1.331 0.586 -4.465 1.00 14.51 C ATOM 1122 CD2 LEU A 80 0.629 0.775 -6.026 1.00 14.54 C ATOM 0 H LEU A 80 -0.416 4.295 -5.678 1.00 73.32 H new ATOM 0 HA LEU A 80 0.116 2.613 -7.852 1.00 53.15 H new ATOM 0 HB2 LEU A 80 -2.233 2.715 -5.920 1.00 14.31 H new ATOM 0 HB3 LEU A 80 -1.912 1.381 -7.010 1.00 14.31 H new ATOM 0 HG LEU A 80 -0.113 2.315 -4.745 1.00 45.40 H new ATOM 0 HD11 LEU A 80 -0.669 0.139 -3.723 1.00 14.51 H new ATOM 0 HD12 LEU A 80 -2.114 1.151 -3.959 1.00 14.51 H new ATOM 0 HD13 LEU A 80 -1.784 -0.201 -5.068 1.00 14.51 H new ATOM 0 HD21 LEU A 80 1.257 0.324 -5.257 1.00 14.54 H new ATOM 0 HD22 LEU A 80 0.235 -0.006 -6.677 1.00 14.54 H new ATOM 0 HD23 LEU A 80 1.223 1.473 -6.616 1.00 14.54 H new ATOM 1134 N VAL A 81 -2.504 4.561 -8.244 1.00 24.42 N ATOM 1135 CA VAL A 81 -3.424 5.081 -9.247 1.00 14.43 C ATOM 1136 C VAL A 81 -2.643 5.814 -10.339 1.00 35.33 C ATOM 1137 O VAL A 81 -3.061 5.862 -11.498 1.00 44.11 O ATOM 1138 CB VAL A 81 -4.487 6.030 -8.626 1.00 52.43 C ATOM 1139 CG1 VAL A 81 -3.874 7.372 -8.217 1.00 1.10 C ATOM 1140 CG2 VAL A 81 -5.656 6.236 -9.585 1.00 51.35 C ATOM 0 H VAL A 81 -2.553 5.032 -7.340 1.00 24.42 H new ATOM 0 HA VAL A 81 -3.954 4.233 -9.680 1.00 14.43 H new ATOM 0 HB VAL A 81 -4.865 5.553 -7.722 1.00 52.43 H new ATOM 0 HG11 VAL A 81 -4.647 8.009 -7.787 1.00 1.10 H new ATOM 0 HG12 VAL A 81 -3.090 7.204 -7.479 1.00 1.10 H new ATOM 0 HG13 VAL A 81 -3.448 7.860 -9.094 1.00 1.10 H new ATOM 0 HG21 VAL A 81 -6.387 6.903 -9.129 1.00 51.35 H new ATOM 0 HG22 VAL A 81 -5.292 6.676 -10.513 1.00 51.35 H new ATOM 0 HG23 VAL A 81 -6.125 5.276 -9.799 1.00 51.35 H new ATOM 1150 N GLY A 82 -1.483 6.358 -9.964 1.00 14.41 N ATOM 1151 CA GLY A 82 -0.672 7.113 -10.899 1.00 24.23 C ATOM 1152 C GLY A 82 0.157 6.206 -11.781 1.00 65.12 C ATOM 1153 O GLY A 82 0.494 6.558 -12.913 1.00 42.53 O ATOM 0 H GLY A 82 -1.093 6.286 -9.024 1.00 14.41 H new ATOM 0 HA2 GLY A 82 -1.317 7.735 -11.520 1.00 24.23 H new ATOM 0 HA3 GLY A 82 -0.014 7.786 -10.349 1.00 24.23 H new ATOM 1157 N SER A 83 0.484 5.033 -11.254 1.00 74.04 N ATOM 1158 CA SER A 83 1.235 4.029 -11.992 1.00 43.12 C ATOM 1159 C SER A 83 0.369 3.416 -13.093 1.00 65.14 C ATOM 1160 O SER A 83 0.881 2.888 -14.083 1.00 23.34 O ATOM 1161 CB SER A 83 1.716 2.939 -11.031 1.00 25.21 C ATOM 1162 OG SER A 83 2.433 3.496 -9.941 1.00 13.31 O ATOM 0 H SER A 83 0.236 4.752 -10.305 1.00 74.04 H new ATOM 0 HA SER A 83 2.098 4.504 -12.458 1.00 43.12 H new ATOM 0 HB2 SER A 83 0.860 2.376 -10.657 1.00 25.21 H new ATOM 0 HB3 SER A 83 2.352 2.234 -11.566 1.00 25.21 H new ATOM 0 HG SER A 83 3.289 3.029 -9.840 1.00 13.31 H new ATOM 1168 N GLY A 84 -0.949 3.496 -12.912 1.00 73.41 N ATOM 1169 CA GLY A 84 -1.882 2.977 -13.900 1.00 70.41 C ATOM 1170 C GLY A 84 -2.123 1.485 -13.766 1.00 12.12 C ATOM 1171 O GLY A 84 -3.022 0.940 -14.409 1.00 41.22 O ATOM 0 H GLY A 84 -1.389 3.914 -12.092 1.00 73.41 H new ATOM 0 HA2 GLY A 84 -2.832 3.502 -13.805 1.00 70.41 H new ATOM 0 HA3 GLY A 84 -1.500 3.189 -14.898 1.00 70.41 H new ATOM 1175 N LEU A 85 -1.323 0.822 -12.933 1.00 2.04 N ATOM 1176 CA LEU A 85 -1.450 -0.620 -12.716 1.00 44.01 C ATOM 1177 C LEU A 85 -2.823 -0.959 -12.134 1.00 61.52 C ATOM 1178 O LEU A 85 -3.434 -1.966 -12.507 1.00 41.11 O ATOM 1179 CB LEU A 85 -0.328 -1.137 -11.792 1.00 1.43 C ATOM 1180 CG LEU A 85 1.048 -1.350 -12.463 1.00 3.03 C ATOM 1181 CD1 LEU A 85 1.560 -0.071 -13.112 1.00 43.24 C ATOM 1182 CD2 LEU A 85 2.068 -1.872 -11.450 1.00 13.52 C ATOM 0 H LEU A 85 -0.577 1.262 -12.395 1.00 2.04 H new ATOM 0 HA LEU A 85 -1.353 -1.117 -13.681 1.00 44.01 H new ATOM 0 HB2 LEU A 85 -0.206 -0.432 -10.970 1.00 1.43 H new ATOM 0 HB3 LEU A 85 -0.649 -2.083 -11.355 1.00 1.43 H new ATOM 0 HG LEU A 85 0.916 -2.095 -13.248 1.00 3.03 H new ATOM 0 HD11 LEU A 85 2.529 -0.260 -13.573 1.00 43.24 H new ATOM 0 HD12 LEU A 85 0.854 0.258 -13.874 1.00 43.24 H new ATOM 0 HD13 LEU A 85 1.664 0.705 -12.354 1.00 43.24 H new ATOM 0 HD21 LEU A 85 3.030 -2.015 -11.943 1.00 13.52 H new ATOM 0 HD22 LEU A 85 2.179 -1.151 -10.641 1.00 13.52 H new ATOM 0 HD23 LEU A 85 1.723 -2.823 -11.044 1.00 13.52 H new ATOM 1194 N VAL A 86 -3.299 -0.112 -11.222 1.00 70.14 N ATOM 1195 CA VAL A 86 -4.631 -0.252 -10.627 1.00 20.34 C ATOM 1196 C VAL A 86 -5.244 1.128 -10.404 1.00 73.24 C ATOM 1197 O VAL A 86 -4.518 2.108 -10.229 1.00 72.52 O ATOM 1198 CB VAL A 86 -4.599 -1.017 -9.271 1.00 12.00 C ATOM 1199 CG1 VAL A 86 -4.204 -2.482 -9.464 1.00 0.41 C ATOM 1200 CG2 VAL A 86 -3.656 -0.331 -8.282 1.00 75.02 C ATOM 0 H VAL A 86 -2.774 0.690 -10.874 1.00 70.14 H new ATOM 0 HA VAL A 86 -5.234 -0.833 -11.325 1.00 20.34 H new ATOM 0 HB VAL A 86 -5.607 -0.996 -8.858 1.00 12.00 H new ATOM 0 HG11 VAL A 86 -4.192 -2.986 -8.498 1.00 0.41 H new ATOM 0 HG12 VAL A 86 -4.926 -2.970 -10.119 1.00 0.41 H new ATOM 0 HG13 VAL A 86 -3.212 -2.535 -9.914 1.00 0.41 H new ATOM 0 HG21 VAL A 86 -3.650 -0.883 -7.342 1.00 75.02 H new ATOM 0 HG22 VAL A 86 -2.648 -0.309 -8.696 1.00 75.02 H new ATOM 0 HG23 VAL A 86 -3.997 0.689 -8.102 1.00 75.02 H new ATOM 1210 N ASP A 87 -6.570 1.202 -10.423 1.00 75.55 N ATOM 1211 CA ASP A 87 -7.275 2.463 -10.173 1.00 44.25 C ATOM 1212 C ASP A 87 -7.847 2.471 -8.760 1.00 61.01 C ATOM 1213 O ASP A 87 -7.798 3.484 -8.058 1.00 3.25 O ATOM 1214 CB ASP A 87 -8.399 2.672 -11.200 1.00 61.23 C ATOM 1215 CG ASP A 87 -9.141 3.988 -10.995 1.00 25.24 C ATOM 1216 OD1 ASP A 87 -8.576 5.057 -11.318 1.00 23.54 O ATOM 1217 OD2 ASP A 87 -10.302 3.966 -10.534 1.00 13.15 O ATOM 0 H ASP A 87 -7.182 0.407 -10.608 1.00 75.55 H new ATOM 0 HA ASP A 87 -6.562 3.282 -10.273 1.00 44.25 H new ATOM 0 HB2 ASP A 87 -7.977 2.649 -12.205 1.00 61.23 H new ATOM 0 HB3 ASP A 87 -9.106 1.846 -11.133 1.00 61.23 H new ATOM 1222 N ASP A 88 -8.385 1.330 -8.345 1.00 55.53 N ATOM 1223 CA ASP A 88 -8.946 1.175 -7.008 1.00 63.31 C ATOM 1224 C ASP A 88 -7.979 0.402 -6.128 1.00 0.25 C ATOM 1225 O ASP A 88 -7.350 -0.555 -6.578 1.00 23.45 O ATOM 1226 CB ASP A 88 -10.284 0.419 -7.058 1.00 13.51 C ATOM 1227 CG ASP A 88 -11.320 1.079 -7.949 1.00 64.14 C ATOM 1228 OD1 ASP A 88 -11.953 2.060 -7.510 1.00 55.24 O ATOM 1229 OD2 ASP A 88 -11.520 0.603 -9.092 1.00 11.03 O ATOM 0 H ASP A 88 -8.445 0.491 -8.922 1.00 55.53 H new ATOM 0 HA ASP A 88 -9.114 2.170 -6.596 1.00 63.31 H new ATOM 0 HB2 ASP A 88 -10.105 -0.596 -7.412 1.00 13.51 H new ATOM 0 HB3 ASP A 88 -10.684 0.338 -6.047 1.00 13.51 H new ATOM 1234 N ILE A 89 -7.843 0.823 -4.879 1.00 2.22 N ATOM 1235 CA ILE A 89 -7.106 0.050 -3.889 1.00 33.32 C ATOM 1236 C ILE A 89 -7.912 -0.011 -2.604 1.00 12.33 C ATOM 1237 O ILE A 89 -8.918 0.691 -2.462 1.00 70.44 O ATOM 1238 CB ILE A 89 -5.697 0.632 -3.572 1.00 31.20 C ATOM 1239 CG1 ILE A 89 -5.799 1.875 -2.665 1.00 63.14 C ATOM 1240 CG2 ILE A 89 -4.945 0.971 -4.859 1.00 75.41 C ATOM 1241 CD1 ILE A 89 -4.485 2.259 -2.018 1.00 21.10 C ATOM 0 H ILE A 89 -8.234 1.697 -4.526 1.00 2.22 H new ATOM 0 HA ILE A 89 -6.954 -0.942 -4.314 1.00 33.32 H new ATOM 0 HB ILE A 89 -5.136 -0.134 -3.036 1.00 31.20 H new ATOM 0 HG12 ILE A 89 -6.164 2.716 -3.254 1.00 63.14 H new ATOM 0 HG13 ILE A 89 -6.538 1.687 -1.886 1.00 63.14 H new ATOM 0 HG21 ILE A 89 -3.964 1.376 -4.611 1.00 75.41 H new ATOM 0 HG22 ILE A 89 -4.824 0.069 -5.458 1.00 75.41 H new ATOM 0 HG23 ILE A 89 -5.510 1.711 -5.426 1.00 75.41 H new ATOM 0 HD11 ILE A 89 -4.631 3.141 -1.394 1.00 21.10 H new ATOM 0 HD12 ILE A 89 -4.128 1.434 -1.402 1.00 21.10 H new ATOM 0 HD13 ILE A 89 -3.749 2.479 -2.791 1.00 21.10 H new ATOM 1253 N ARG A 90 -7.476 -0.854 -1.682 1.00 63.25 N ATOM 1254 CA ARG A 90 -8.069 -0.932 -0.354 1.00 5.41 C ATOM 1255 C ARG A 90 -7.058 -1.508 0.631 1.00 13.24 C ATOM 1256 O ARG A 90 -6.746 -2.701 0.593 1.00 33.21 O ATOM 1257 CB ARG A 90 -9.362 -1.774 -0.381 1.00 14.23 C ATOM 1258 CG ARG A 90 -10.632 -0.942 -0.591 1.00 44.42 C ATOM 1259 CD ARG A 90 -11.725 -1.720 -1.320 1.00 3.52 C ATOM 1260 NE ARG A 90 -12.968 -0.948 -1.455 1.00 64.34 N ATOM 1261 CZ ARG A 90 -13.116 0.143 -2.223 1.00 42.23 C ATOM 1262 NH1 ARG A 90 -12.098 0.646 -2.911 1.00 63.02 N ATOM 1263 NH2 ARG A 90 -14.296 0.739 -2.303 1.00 55.23 N ATOM 0 H ARG A 90 -6.703 -1.503 -1.831 1.00 63.25 H new ATOM 0 HA ARG A 90 -8.337 0.073 -0.027 1.00 5.41 H new ATOM 0 HB2 ARG A 90 -9.287 -2.514 -1.177 1.00 14.23 H new ATOM 0 HB3 ARG A 90 -9.448 -2.323 0.557 1.00 14.23 H new ATOM 0 HG2 ARG A 90 -11.010 -0.610 0.376 1.00 44.42 H new ATOM 0 HG3 ARG A 90 -10.386 -0.046 -1.161 1.00 44.42 H new ATOM 0 HD2 ARG A 90 -11.367 -2.003 -2.310 1.00 3.52 H new ATOM 0 HD3 ARG A 90 -11.931 -2.644 -0.780 1.00 3.52 H new ATOM 0 HE ARG A 90 -13.780 -1.265 -0.925 1.00 64.34 H new ATOM 0 HH11 ARG A 90 -11.181 0.202 -2.862 1.00 63.02 H new ATOM 0 HH12 ARG A 90 -12.233 1.476 -3.488 1.00 63.02 H new ATOM 0 HH21 ARG A 90 -15.091 0.369 -1.781 1.00 55.23 H new ATOM 0 HH22 ARG A 90 -14.410 1.568 -2.886 1.00 55.23 H new ATOM 1277 N ILE A 91 -6.531 -0.636 1.484 1.00 60.55 N ATOM 1278 CA ILE A 91 -5.610 -1.034 2.540 1.00 63.41 C ATOM 1279 C ILE A 91 -6.406 -1.328 3.799 1.00 71.14 C ATOM 1280 O ILE A 91 -7.024 -0.434 4.372 1.00 53.53 O ATOM 1281 CB ILE A 91 -4.564 0.073 2.840 1.00 43.22 C ATOM 1282 CG1 ILE A 91 -3.695 0.341 1.601 1.00 42.33 C ATOM 1283 CG2 ILE A 91 -3.693 -0.317 4.038 1.00 11.02 C ATOM 1284 CD1 ILE A 91 -2.656 1.422 1.813 1.00 32.12 C ATOM 0 H ILE A 91 -6.730 0.364 1.462 1.00 60.55 H new ATOM 0 HA ILE A 91 -5.070 -1.921 2.207 1.00 63.41 H new ATOM 0 HB ILE A 91 -5.096 0.990 3.091 1.00 43.22 H new ATOM 0 HG12 ILE A 91 -3.193 -0.583 1.313 1.00 42.33 H new ATOM 0 HG13 ILE A 91 -4.340 0.626 0.770 1.00 42.33 H new ATOM 0 HG21 ILE A 91 -2.966 0.472 4.232 1.00 11.02 H new ATOM 0 HG22 ILE A 91 -4.323 -0.454 4.917 1.00 11.02 H new ATOM 0 HG23 ILE A 91 -3.169 -1.247 3.819 1.00 11.02 H new ATOM 0 HD11 ILE A 91 -2.080 1.557 0.898 1.00 32.12 H new ATOM 0 HD12 ILE A 91 -3.152 2.358 2.071 1.00 32.12 H new ATOM 0 HD13 ILE A 91 -1.987 1.130 2.623 1.00 32.12 H new ATOM 1296 N ASN A 92 -6.414 -2.583 4.209 1.00 45.20 N ATOM 1297 CA ASN A 92 -7.203 -2.999 5.355 1.00 12.22 C ATOM 1298 C ASN A 92 -6.311 -3.247 6.559 1.00 22.31 C ATOM 1299 O ASN A 92 -5.209 -3.781 6.432 1.00 14.21 O ATOM 1300 CB ASN A 92 -8.024 -4.241 5.013 1.00 33.31 C ATOM 1301 CG ASN A 92 -7.180 -5.433 4.606 1.00 32.10 C ATOM 1302 OD1 ASN A 92 -6.825 -5.585 3.438 1.00 13.21 O ATOM 1303 ND2 ASN A 92 -6.904 -6.316 5.549 1.00 65.21 N ATOM 0 H ASN A 92 -5.883 -3.333 3.766 1.00 45.20 H new ATOM 0 HA ASN A 92 -7.894 -2.196 5.612 1.00 12.22 H new ATOM 0 HB2 ASN A 92 -8.631 -4.514 5.876 1.00 33.31 H new ATOM 0 HB3 ASN A 92 -8.712 -4.000 4.203 1.00 33.31 H new ATOM 0 HD21 ASN A 92 -6.379 -7.160 5.320 1.00 65.21 H new ATOM 0 HD22 ASN A 92 -7.216 -6.154 6.507 1.00 65.21 H new ATOM 1310 N TRP A 93 -6.794 -2.844 7.725 1.00 52.32 N ATOM 1311 CA TRP A 93 -6.014 -2.896 8.955 1.00 5.24 C ATOM 1312 C TRP A 93 -6.547 -4.008 9.852 1.00 64.44 C ATOM 1313 O TRP A 93 -7.622 -3.874 10.438 1.00 30.25 O ATOM 1314 CB TRP A 93 -6.102 -1.542 9.681 1.00 74.50 C ATOM 1315 CG TRP A 93 -6.136 -0.373 8.740 1.00 64.54 C ATOM 1316 CD1 TRP A 93 -5.082 0.386 8.319 1.00 0.31 C ATOM 1317 CD2 TRP A 93 -7.296 0.154 8.082 1.00 42.12 C ATOM 1318 NE1 TRP A 93 -5.520 1.355 7.448 1.00 13.53 N ATOM 1319 CE2 TRP A 93 -6.873 1.232 7.288 1.00 65.43 C ATOM 1320 CE3 TRP A 93 -8.654 -0.182 8.092 1.00 73.34 C ATOM 1321 CZ2 TRP A 93 -7.756 1.978 6.511 1.00 3.15 C ATOM 1322 CZ3 TRP A 93 -9.529 0.557 7.318 1.00 43.40 C ATOM 1323 CH2 TRP A 93 -9.077 1.628 6.537 1.00 34.50 C ATOM 0 H TRP A 93 -7.736 -2.472 7.846 1.00 52.32 H new ATOM 0 HA TRP A 93 -4.971 -3.102 8.716 1.00 5.24 H new ATOM 0 HB2 TRP A 93 -6.997 -1.527 10.303 1.00 74.50 H new ATOM 0 HB3 TRP A 93 -5.248 -1.438 10.350 1.00 74.50 H new ATOM 0 HD1 TRP A 93 -4.056 0.246 8.625 1.00 0.31 H new ATOM 0 HE1 TRP A 93 -4.931 2.053 6.994 1.00 13.53 H new ATOM 0 HE3 TRP A 93 -9.012 -1.004 8.694 1.00 73.34 H new ATOM 0 HZ2 TRP A 93 -7.409 2.805 5.909 1.00 3.15 H new ATOM 0 HZ3 TRP A 93 -10.579 0.304 7.316 1.00 43.40 H new ATOM 0 HH2 TRP A 93 -9.785 2.188 5.944 1.00 34.50 H new ATOM 1334 N VAL A 94 -5.803 -5.105 9.951 1.00 43.34 N ATOM 1335 CA VAL A 94 -6.241 -6.260 10.733 1.00 23.11 C ATOM 1336 C VAL A 94 -5.364 -6.488 11.957 1.00 31.12 C ATOM 1337 O VAL A 94 -4.133 -6.477 11.876 1.00 13.21 O ATOM 1338 CB VAL A 94 -6.280 -7.557 9.881 1.00 65.10 C ATOM 1339 CG1 VAL A 94 -7.451 -7.515 8.907 1.00 61.14 C ATOM 1340 CG2 VAL A 94 -4.960 -7.766 9.135 1.00 21.31 C ATOM 0 H VAL A 94 -4.895 -5.220 9.501 1.00 43.34 H new ATOM 0 HA VAL A 94 -7.253 -6.028 11.066 1.00 23.11 H new ATOM 0 HB VAL A 94 -6.419 -8.403 10.554 1.00 65.10 H new ATOM 0 HG11 VAL A 94 -7.466 -8.431 8.316 1.00 61.14 H new ATOM 0 HG12 VAL A 94 -8.384 -7.427 9.463 1.00 61.14 H new ATOM 0 HG13 VAL A 94 -7.342 -6.657 8.244 1.00 61.14 H new ATOM 0 HG21 VAL A 94 -5.016 -8.682 8.546 1.00 21.31 H new ATOM 0 HG22 VAL A 94 -4.778 -6.919 8.473 1.00 21.31 H new ATOM 0 HG23 VAL A 94 -4.145 -7.846 9.854 1.00 21.31 H new ATOM 1350 N TRP A 95 -6.023 -6.661 13.095 1.00 45.33 N ATOM 1351 CA TRP A 95 -5.358 -7.034 14.339 1.00 34.44 C ATOM 1352 C TRP A 95 -6.320 -7.797 15.258 1.00 2.14 C ATOM 1353 O TRP A 95 -5.988 -8.079 16.407 1.00 21.11 O ATOM 1354 CB TRP A 95 -4.814 -5.783 15.049 1.00 35.30 C ATOM 1355 CG TRP A 95 -5.871 -4.775 15.413 1.00 25.22 C ATOM 1356 CD1 TRP A 95 -6.650 -4.052 14.555 1.00 52.24 C ATOM 1357 CD2 TRP A 95 -6.251 -4.369 16.735 1.00 21.12 C ATOM 1358 NE1 TRP A 95 -7.492 -3.229 15.260 1.00 63.32 N ATOM 1359 CE2 TRP A 95 -7.269 -3.405 16.599 1.00 65.53 C ATOM 1360 CE3 TRP A 95 -5.834 -4.730 18.020 1.00 35.12 C ATOM 1361 CZ2 TRP A 95 -7.870 -2.798 17.698 1.00 4.32 C ATOM 1362 CZ3 TRP A 95 -6.432 -4.128 19.110 1.00 53.52 C ATOM 1363 CH2 TRP A 95 -7.441 -3.171 18.943 1.00 45.34 C ATOM 0 H TRP A 95 -7.033 -6.547 13.183 1.00 45.33 H new ATOM 0 HA TRP A 95 -4.521 -7.690 14.100 1.00 34.44 H new ATOM 0 HB2 TRP A 95 -4.293 -6.091 15.956 1.00 35.30 H new ATOM 0 HB3 TRP A 95 -4.077 -5.304 14.404 1.00 35.30 H new ATOM 0 HD1 TRP A 95 -6.609 -4.118 13.478 1.00 52.24 H new ATOM 0 HE1 TRP A 95 -8.174 -2.589 14.852 1.00 63.32 H new ATOM 0 HE3 TRP A 95 -5.057 -5.467 18.158 1.00 35.12 H new ATOM 0 HZ2 TRP A 95 -8.647 -2.059 17.573 1.00 4.32 H new ATOM 0 HZ3 TRP A 95 -6.117 -4.399 20.107 1.00 53.52 H new ATOM 0 HH2 TRP A 95 -7.890 -2.718 19.815 1.00 45.34 H new ATOM 1374 N ASN A 96 -7.499 -8.153 14.729 1.00 52.31 N ATOM 1375 CA ASN A 96 -8.549 -8.815 15.512 1.00 34.20 C ATOM 1376 C ASN A 96 -9.646 -9.389 14.601 1.00 33.41 C ATOM 1377 O ASN A 96 -9.868 -10.601 14.600 1.00 32.42 O ATOM 1378 CB ASN A 96 -9.184 -7.860 16.555 1.00 2.00 C ATOM 1379 CG ASN A 96 -8.461 -7.851 17.893 1.00 1.44 C ATOM 1380 OD1 ASN A 96 -7.867 -8.850 18.298 1.00 72.50 O ATOM 1381 ND2 ASN A 96 -8.519 -6.730 18.597 1.00 13.31 N ATOM 0 H ASN A 96 -7.749 -7.991 13.754 1.00 52.31 H new ATOM 0 HA ASN A 96 -8.068 -9.634 16.047 1.00 34.20 H new ATOM 0 HB2 ASN A 96 -9.194 -6.848 16.150 1.00 2.00 H new ATOM 0 HB3 ASN A 96 -10.223 -8.149 16.715 1.00 2.00 H new ATOM 0 HD21 ASN A 96 -8.062 -6.675 19.507 1.00 13.31 H new ATOM 0 HD22 ASN A 96 -9.021 -5.922 18.229 1.00 13.31 H new ATOM 1388 N PRO A 97 -10.340 -8.542 13.795 1.00 61.42 N ATOM 1389 CA PRO A 97 -11.517 -8.982 13.029 1.00 22.23 C ATOM 1390 C PRO A 97 -11.152 -9.768 11.764 1.00 72.44 C ATOM 1391 O PRO A 97 -10.023 -9.684 11.271 1.00 14.34 O ATOM 1392 CB PRO A 97 -12.196 -7.657 12.665 1.00 75.12 C ATOM 1393 CG PRO A 97 -11.066 -6.693 12.523 1.00 3.23 C ATOM 1394 CD PRO A 97 -10.035 -7.112 13.543 1.00 1.20 C ATOM 0 HA PRO A 97 -12.143 -9.667 13.600 1.00 22.23 H new ATOM 0 HB2 PRO A 97 -12.765 -7.742 11.739 1.00 75.12 H new ATOM 0 HB3 PRO A 97 -12.894 -7.341 13.440 1.00 75.12 H new ATOM 0 HG2 PRO A 97 -10.652 -6.722 11.515 1.00 3.23 H new ATOM 0 HG3 PRO A 97 -11.400 -5.671 12.702 1.00 3.23 H new ATOM 0 HD2 PRO A 97 -9.022 -6.981 13.163 1.00 1.20 H new ATOM 0 HD3 PRO A 97 -10.113 -6.521 14.455 1.00 1.20 H new ATOM 1402 N PRO A 98 -12.113 -10.562 11.238 1.00 43.33 N ATOM 1403 CA PRO A 98 -11.942 -11.301 9.979 1.00 45.23 C ATOM 1404 C PRO A 98 -11.885 -10.357 8.773 1.00 33.01 C ATOM 1405 O PRO A 98 -12.677 -9.418 8.679 1.00 23.52 O ATOM 1406 CB PRO A 98 -13.194 -12.201 9.902 1.00 31.03 C ATOM 1407 CG PRO A 98 -13.799 -12.157 11.268 1.00 52.32 C ATOM 1408 CD PRO A 98 -13.436 -10.814 11.831 1.00 11.53 C ATOM 0 HA PRO A 98 -11.008 -11.863 9.958 1.00 45.23 H new ATOM 0 HB2 PRO A 98 -13.894 -11.837 9.150 1.00 31.03 H new ATOM 0 HB3 PRO A 98 -12.928 -13.221 9.623 1.00 31.03 H new ATOM 0 HG2 PRO A 98 -14.881 -12.282 11.221 1.00 52.32 H new ATOM 0 HG3 PRO A 98 -13.412 -12.961 11.894 1.00 52.32 H new ATOM 0 HD2 PRO A 98 -14.159 -10.048 11.549 1.00 11.53 H new ATOM 0 HD3 PRO A 98 -13.395 -10.829 12.920 1.00 11.53 H new ATOM 1416 N TRP A 99 -10.956 -10.635 7.860 1.00 42.44 N ATOM 1417 CA TRP A 99 -10.732 -9.802 6.678 1.00 23.04 C ATOM 1418 C TRP A 99 -12.030 -9.596 5.887 1.00 51.42 C ATOM 1419 O TRP A 99 -12.547 -10.526 5.256 1.00 44.12 O ATOM 1420 CB TRP A 99 -9.666 -10.444 5.780 1.00 43.30 C ATOM 1421 CG TRP A 99 -8.384 -10.766 6.493 1.00 64.23 C ATOM 1422 CD1 TRP A 99 -7.288 -9.960 6.628 1.00 45.22 C ATOM 1423 CD2 TRP A 99 -8.062 -11.991 7.163 1.00 74.43 C ATOM 1424 NE1 TRP A 99 -6.312 -10.608 7.343 1.00 23.55 N ATOM 1425 CE2 TRP A 99 -6.762 -11.854 7.684 1.00 25.22 C ATOM 1426 CE3 TRP A 99 -8.750 -13.188 7.375 1.00 24.35 C ATOM 1427 CZ2 TRP A 99 -6.139 -12.867 8.407 1.00 65.13 C ATOM 1428 CZ3 TRP A 99 -8.130 -14.195 8.089 1.00 71.34 C ATOM 1429 CH2 TRP A 99 -6.835 -14.028 8.598 1.00 21.34 C ATOM 0 H TRP A 99 -10.337 -11.444 7.918 1.00 42.44 H new ATOM 0 HA TRP A 99 -10.383 -8.825 7.013 1.00 23.04 H new ATOM 0 HB2 TRP A 99 -10.071 -11.360 5.350 1.00 43.30 H new ATOM 0 HB3 TRP A 99 -9.450 -9.771 4.951 1.00 43.30 H new ATOM 0 HD1 TRP A 99 -7.203 -8.960 6.230 1.00 45.22 H new ATOM 0 HE1 TRP A 99 -5.398 -10.223 7.582 1.00 23.55 H new ATOM 0 HE3 TRP A 99 -9.749 -13.324 6.988 1.00 24.35 H new ATOM 0 HZ2 TRP A 99 -5.142 -12.740 8.803 1.00 65.13 H new ATOM 0 HZ3 TRP A 99 -8.651 -15.126 8.258 1.00 71.34 H new ATOM 0 HH2 TRP A 99 -6.377 -14.834 9.153 1.00 21.34 H new ATOM 1440 N GLY A 100 -12.543 -8.373 5.925 1.00 63.40 N ATOM 1441 CA GLY A 100 -13.782 -8.042 5.248 1.00 52.55 C ATOM 1442 C GLY A 100 -14.180 -6.593 5.475 1.00 43.34 C ATOM 1443 O GLY A 100 -13.971 -5.750 4.601 1.00 30.34 O ATOM 0 H GLY A 100 -12.114 -7.592 6.422 1.00 63.40 H new ATOM 0 HA2 GLY A 100 -13.672 -8.226 4.179 1.00 52.55 H new ATOM 0 HA3 GLY A 100 -14.577 -8.697 5.604 1.00 52.55 H new ATOM 1447 N PRO A 101 -14.746 -6.265 6.653 1.00 22.33 N ATOM 1448 CA PRO A 101 -15.144 -4.889 6.990 1.00 64.54 C ATOM 1449 C PRO A 101 -13.948 -3.938 6.952 1.00 11.24 C ATOM 1450 O PRO A 101 -14.054 -2.794 6.513 1.00 24.04 O ATOM 1451 CB PRO A 101 -15.707 -5.005 8.419 1.00 31.45 C ATOM 1452 CG PRO A 101 -16.050 -6.450 8.580 1.00 11.52 C ATOM 1453 CD PRO A 101 -15.047 -7.206 7.750 1.00 54.34 C ATOM 0 HA PRO A 101 -15.866 -4.481 6.282 1.00 64.54 H new ATOM 0 HB2 PRO A 101 -14.973 -4.688 9.160 1.00 31.45 H new ATOM 0 HB3 PRO A 101 -16.586 -4.373 8.550 1.00 31.45 H new ATOM 0 HG2 PRO A 101 -15.997 -6.750 9.627 1.00 11.52 H new ATOM 0 HG3 PRO A 101 -17.067 -6.650 8.242 1.00 11.52 H new ATOM 0 HD2 PRO A 101 -14.155 -7.455 8.324 1.00 54.34 H new ATOM 0 HD3 PRO A 101 -15.458 -8.144 7.376 1.00 54.34 H new ATOM 1461 N ASP A 102 -12.805 -4.449 7.392 1.00 45.30 N ATOM 1462 CA ASP A 102 -11.547 -3.700 7.398 1.00 10.32 C ATOM 1463 C ASP A 102 -11.164 -3.232 5.994 1.00 2.24 C ATOM 1464 O ASP A 102 -10.384 -2.295 5.840 1.00 50.20 O ATOM 1465 CB ASP A 102 -10.424 -4.567 7.994 1.00 14.22 C ATOM 1466 CG ASP A 102 -10.430 -5.987 7.444 1.00 41.40 C ATOM 1467 OD1 ASP A 102 -11.278 -6.781 7.891 1.00 32.13 O ATOM 1468 OD2 ASP A 102 -9.608 -6.312 6.561 1.00 61.25 O ATOM 0 H ASP A 102 -12.720 -5.398 7.757 1.00 45.30 H new ATOM 0 HA ASP A 102 -11.687 -2.813 8.016 1.00 10.32 H new ATOM 0 HB2 ASP A 102 -9.460 -4.103 7.783 1.00 14.22 H new ATOM 0 HB3 ASP A 102 -10.531 -4.600 9.078 1.00 14.22 H new ATOM 1473 N LYS A 103 -11.719 -3.881 4.974 1.00 23.20 N ATOM 1474 CA LYS A 103 -11.406 -3.547 3.585 1.00 41.31 C ATOM 1475 C LYS A 103 -12.343 -2.470 3.036 1.00 51.24 C ATOM 1476 O LYS A 103 -12.351 -2.198 1.833 1.00 14.44 O ATOM 1477 CB LYS A 103 -11.449 -4.809 2.707 1.00 2.13 C ATOM 1478 CG LYS A 103 -10.320 -5.786 3.018 1.00 24.44 C ATOM 1479 CD LYS A 103 -10.250 -6.949 2.030 1.00 70.44 C ATOM 1480 CE LYS A 103 -8.909 -7.677 2.125 1.00 61.42 C ATOM 1481 NZ LYS A 103 -8.641 -8.198 3.492 1.00 14.23 N ATOM 0 H LYS A 103 -12.389 -4.643 5.082 1.00 23.20 H new ATOM 0 HA LYS A 103 -10.395 -3.139 3.561 1.00 41.31 H new ATOM 0 HB2 LYS A 103 -12.406 -5.311 2.847 1.00 2.13 H new ATOM 0 HB3 LYS A 103 -11.393 -4.518 1.658 1.00 2.13 H new ATOM 0 HG2 LYS A 103 -9.371 -5.251 3.009 1.00 24.44 H new ATOM 0 HG3 LYS A 103 -10.454 -6.180 4.026 1.00 24.44 H new ATOM 0 HD2 LYS A 103 -11.061 -7.649 2.230 1.00 70.44 H new ATOM 0 HD3 LYS A 103 -10.393 -6.577 1.016 1.00 70.44 H new ATOM 0 HE2 LYS A 103 -8.897 -8.504 1.415 1.00 61.42 H new ATOM 0 HE3 LYS A 103 -8.108 -6.997 1.835 1.00 61.42 H new ATOM 0 HZ1 LYS A 103 -7.650 -8.010 3.747 1.00 14.23 H new ATOM 0 HZ2 LYS A 103 -9.270 -7.726 4.173 1.00 14.23 H new ATOM 0 HZ3 LYS A 103 -8.815 -9.223 3.513 1.00 14.23 H new