USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 663 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 20 THR OG1 : rot 26:sc= 1.16 USER MOD Set 1.2: A 23 THR OG1 : rot 5:sc= 0.716 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 1.13 (180deg=0.612) USER MOD Single : A 27 THR OG1 : rot 170:sc= -0.978 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.074 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.5) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 31:sc= 0.186 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-0.7) USER MOD Single : A 62 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.5) USER MOD Single : A 69 SER OG : rot -55:sc= 0.7 USER MOD Single : A 70 THR OG1 : rot -138:sc= -1.57 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -96:sc= 0.963 USER MOD Single : A 73 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 77 GLN : amide:sc= -0.872 X(o=-0.87,f=-0.85) USER MOD Single : A 79 MET CE :methyl -158:sc= -0.0245 (180deg=-0.239) USER MOD Single : A 82 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 83 SER OG : rot 19:sc= 0.861 USER MOD Single : A 89 SER OG : rot 31:sc= 0.175 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -167:sc= 2.17 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 16.689 -5.615 -2.076 1.00 0.00 N ATOM 86 CA GLU A 9 15.422 -6.335 -2.108 1.00 0.00 C ATOM 87 C GLU A 9 14.245 -5.370 -1.989 1.00 0.00 C ATOM 88 O GLU A 9 14.394 -4.250 -1.502 1.00 0.00 O ATOM 89 CB GLU A 9 15.366 -7.365 -0.978 1.00 0.00 C ATOM 90 CG GLU A 9 16.273 -8.563 -1.202 1.00 0.00 C ATOM 91 CD GLU A 9 15.767 -9.480 -2.300 1.00 0.00 C ATOM 92 OE1 GLU A 9 14.537 -9.536 -2.507 1.00 0.00 O ATOM 93 OE2 GLU A 9 16.603 -10.140 -2.952 1.00 0.00 O ATOM 0 HA GLU A 9 15.352 -6.852 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.643 -6.880 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.339 -7.713 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.274 -8.214 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.360 -9.127 -0.273 1.00 0.00 H new ATOM 100 N ALA A 10 13.076 -5.813 -2.439 1.00 0.00 N ATOM 101 CA ALA A 10 11.874 -4.991 -2.382 1.00 0.00 C ATOM 102 C ALA A 10 11.074 -5.275 -1.116 1.00 0.00 C ATOM 103 O ALA A 10 11.295 -6.268 -0.422 1.00 0.00 O ATOM 104 CB ALA A 10 11.014 -5.227 -3.616 1.00 0.00 C ATOM 0 H ALA A 10 12.936 -6.737 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 10 12.180 -3.945 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.119 -4.607 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.581 -4.967 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.725 -6.277 -3.663 1.00 0.00 H new ATOM 110 N PRO A 11 10.122 -4.383 -0.804 1.00 0.00 N ATOM 111 CA PRO A 11 9.270 -4.516 0.382 1.00 0.00 C ATOM 112 C PRO A 11 8.284 -5.672 0.260 1.00 0.00 C ATOM 113 O PRO A 11 7.966 -6.115 -0.844 1.00 0.00 O ATOM 114 CB PRO A 11 8.524 -3.180 0.435 1.00 0.00 C ATOM 115 CG PRO A 11 8.517 -2.694 -0.974 1.00 0.00 C ATOM 116 CD PRO A 11 9.804 -3.175 -1.584 1.00 0.00 C ATOM 0 HA PRO A 11 9.851 -4.731 1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.510 -3.307 0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.025 -2.472 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.657 -3.086 -1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.450 -1.607 -1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.686 -3.401 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.592 -2.426 -1.503 1.00 0.00 H new ATOM 124 N ARG A 12 7.803 -6.156 1.400 1.00 0.00 N ATOM 125 CA ARG A 12 6.853 -7.262 1.420 1.00 0.00 C ATOM 126 C ARG A 12 5.968 -7.196 2.662 1.00 0.00 C ATOM 127 O ARG A 12 6.086 -6.277 3.472 1.00 0.00 O ATOM 128 CB ARG A 12 7.594 -8.600 1.380 1.00 0.00 C ATOM 129 CG ARG A 12 8.349 -8.916 2.660 1.00 0.00 C ATOM 130 CD ARG A 12 9.739 -8.299 2.654 1.00 0.00 C ATOM 131 NE ARG A 12 10.560 -8.810 1.559 1.00 0.00 N ATOM 132 CZ ARG A 12 11.882 -8.689 1.513 1.00 0.00 C ATOM 133 NH1 ARG A 12 12.530 -8.079 2.496 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.559 -9.180 0.483 1.00 0.00 N ATOM 0 H ARG A 12 8.055 -5.800 2.322 1.00 0.00 H new ATOM 0 HA ARG A 12 6.219 -7.179 0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.877 -9.397 1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.296 -8.592 0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.788 -8.542 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.430 -9.996 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.654 -7.216 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.232 -8.506 3.604 1.00 0.00 H new ATOM 0 HE ARG A 12 10.092 -9.286 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.013 -7.701 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.545 -7.988 2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.064 -9.651 -0.275 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.574 -9.086 0.449 1.00 0.00 H new ATOM 148 N ASP A 13 5.081 -8.175 2.803 1.00 0.00 N ATOM 149 CA ASP A 13 4.176 -8.229 3.945 1.00 0.00 C ATOM 150 C ASP A 13 3.266 -7.005 3.975 1.00 0.00 C ATOM 151 O ASP A 13 2.884 -6.528 5.044 1.00 0.00 O ATOM 152 CB ASP A 13 4.971 -8.320 5.249 1.00 0.00 C ATOM 153 CG ASP A 13 5.899 -9.519 5.278 1.00 0.00 C ATOM 154 OD1 ASP A 13 6.281 -10.000 4.191 1.00 0.00 O ATOM 155 OD2 ASP A 13 6.243 -9.976 6.388 1.00 0.00 O ATOM 0 H ASP A 13 4.969 -8.942 2.140 1.00 0.00 H new ATOM 0 HA ASP A 13 3.555 -9.119 3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.555 -7.409 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.280 -8.379 6.090 1.00 0.00 H new ATOM 160 N LEU A 14 2.922 -6.502 2.795 1.00 0.00 N ATOM 161 CA LEU A 14 2.057 -5.332 2.685 1.00 0.00 C ATOM 162 C LEU A 14 0.605 -5.700 2.975 1.00 0.00 C ATOM 163 O LEU A 14 -0.097 -6.224 2.110 1.00 0.00 O ATOM 164 CB LEU A 14 2.170 -4.719 1.288 1.00 0.00 C ATOM 165 CG LEU A 14 1.076 -3.722 0.902 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.370 -2.352 1.494 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.945 -3.635 -0.612 1.00 0.00 C ATOM 0 H LEU A 14 3.228 -6.885 1.901 1.00 0.00 H new ATOM 0 HA LEU A 14 2.382 -4.599 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.135 -4.218 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.171 -5.528 0.557 1.00 0.00 H new ATOM 0 HG LEU A 14 0.128 -4.075 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.581 -1.656 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.413 -2.427 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.327 -1.991 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.162 -2.921 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.891 -3.306 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.687 -4.616 -1.012 1.00 0.00 H new ATOM 179 N GLU A 15 0.161 -5.420 4.196 1.00 0.00 N ATOM 180 CA GLU A 15 -1.207 -5.721 4.599 1.00 0.00 C ATOM 181 C GLU A 15 -1.893 -4.480 5.166 1.00 0.00 C ATOM 182 O GLU A 15 -1.251 -3.458 5.404 1.00 0.00 O ATOM 183 CB GLU A 15 -1.222 -6.844 5.637 1.00 0.00 C ATOM 184 CG GLU A 15 -2.618 -7.332 5.986 1.00 0.00 C ATOM 185 CD GLU A 15 -2.621 -8.742 6.545 1.00 0.00 C ATOM 186 OE1 GLU A 15 -1.926 -9.608 5.972 1.00 0.00 O ATOM 187 OE2 GLU A 15 -3.317 -8.980 7.554 1.00 0.00 O ATOM 0 H GLU A 15 0.729 -4.985 4.923 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.755 -6.047 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.637 -7.683 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.731 -6.494 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.064 -6.655 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.244 -7.297 5.095 1.00 0.00 H new ATOM 194 N ALA A 16 -3.201 -4.580 5.378 1.00 0.00 N ATOM 195 CA ALA A 16 -3.973 -3.468 5.918 1.00 0.00 C ATOM 196 C ALA A 16 -4.066 -3.550 7.438 1.00 0.00 C ATOM 197 O ALA A 16 -4.246 -4.630 8.002 1.00 0.00 O ATOM 198 CB ALA A 16 -5.365 -3.444 5.303 1.00 0.00 C ATOM 0 H ALA A 16 -3.748 -5.419 5.184 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.458 -2.542 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.931 -2.608 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.283 -3.329 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.879 -4.378 5.530 1.00 0.00 H new ATOM 204 N LYS A 17 -3.943 -2.403 8.097 1.00 0.00 N ATOM 205 CA LYS A 17 -4.014 -2.345 9.552 1.00 0.00 C ATOM 206 C LYS A 17 -4.958 -1.237 10.007 1.00 0.00 C ATOM 207 O LYS A 17 -5.294 -0.340 9.234 1.00 0.00 O ATOM 208 CB LYS A 17 -2.620 -2.116 10.142 1.00 0.00 C ATOM 209 CG LYS A 17 -1.608 -3.174 9.740 1.00 0.00 C ATOM 210 CD LYS A 17 -1.582 -4.326 10.731 1.00 0.00 C ATOM 211 CE LYS A 17 -1.212 -5.636 10.053 1.00 0.00 C ATOM 212 NZ LYS A 17 -2.341 -6.183 9.250 1.00 0.00 N ATOM 0 H LYS A 17 -3.794 -1.500 7.646 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.402 -3.299 9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.257 -1.139 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.694 -2.091 11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.851 -3.552 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.617 -2.725 9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.865 -4.110 11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.559 -4.423 11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.349 -5.479 9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.916 -6.365 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.978 -6.885 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.030 -6.636 9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.804 -5.410 8.731 1.00 0.00 H new ATOM 226 N GLU A 18 -5.381 -1.305 11.265 1.00 0.00 N ATOM 227 CA GLU A 18 -6.286 -0.306 11.822 1.00 0.00 C ATOM 228 C GLU A 18 -7.269 0.186 10.764 1.00 0.00 C ATOM 229 O GLU A 18 -7.407 1.389 10.541 1.00 0.00 O ATOM 230 CB GLU A 18 -5.494 0.874 12.387 1.00 0.00 C ATOM 231 CG GLU A 18 -4.510 0.481 13.476 1.00 0.00 C ATOM 232 CD GLU A 18 -5.152 -0.349 14.570 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.764 0.244 15.483 1.00 0.00 O ATOM 234 OE2 GLU A 18 -5.044 -1.592 14.514 1.00 0.00 O ATOM 0 H GLU A 18 -5.112 -2.041 11.918 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.851 -0.774 12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.951 1.358 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.191 1.610 12.787 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.689 -0.082 13.033 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.079 1.382 13.914 1.00 0.00 H new ATOM 241 N VAL A 19 -7.950 -0.752 10.114 1.00 0.00 N ATOM 242 CA VAL A 19 -8.920 -0.415 9.079 1.00 0.00 C ATOM 243 C VAL A 19 -10.202 0.141 9.689 1.00 0.00 C ATOM 244 O VAL A 19 -10.827 -0.496 10.537 1.00 0.00 O ATOM 245 CB VAL A 19 -9.266 -1.640 8.213 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.281 -1.269 7.143 1.00 0.00 C ATOM 247 CG2 VAL A 19 -8.008 -2.222 7.587 1.00 0.00 C ATOM 0 H VAL A 19 -7.848 -1.752 10.286 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.460 0.346 8.449 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.711 -2.401 8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.513 -2.148 6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.192 -0.903 7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.867 -0.490 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.271 -3.087 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.532 -1.468 6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.318 -2.528 8.374 1.00 0.00 H new ATOM 257 N THR A 20 -10.590 1.335 9.250 1.00 0.00 N ATOM 258 CA THR A 20 -11.798 1.978 9.752 1.00 0.00 C ATOM 259 C THR A 20 -12.564 2.664 8.627 1.00 0.00 C ATOM 260 O THR A 20 -12.021 2.957 7.562 1.00 0.00 O ATOM 261 CB THR A 20 -11.470 3.017 10.842 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.179 3.588 10.601 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.498 2.379 12.223 1.00 0.00 C ATOM 0 H THR A 20 -10.085 1.876 8.548 1.00 0.00 H new ATOM 0 HA THR A 20 -12.418 1.192 10.184 1.00 0.00 H new ATOM 0 HB THR A 20 -12.226 3.801 10.806 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.970 3.533 9.645 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.264 3.131 12.976 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.490 1.970 12.415 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.760 1.578 12.269 1.00 0.00 H new ATOM 271 N PRO A 21 -13.858 2.928 8.866 1.00 0.00 N ATOM 272 CA PRO A 21 -14.726 3.584 7.885 1.00 0.00 C ATOM 273 C PRO A 21 -14.364 5.050 7.678 1.00 0.00 C ATOM 274 O PRO A 21 -14.903 5.714 6.792 1.00 0.00 O ATOM 275 CB PRO A 21 -16.120 3.459 8.505 1.00 0.00 C ATOM 276 CG PRO A 21 -15.874 3.344 9.970 1.00 0.00 C ATOM 277 CD PRO A 21 -14.571 2.606 10.114 1.00 0.00 C ATOM 0 HA PRO A 21 -14.641 3.129 6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.735 4.328 8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.647 2.585 8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.819 4.328 10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.684 2.805 10.461 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.016 2.938 10.991 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.727 1.533 10.223 1.00 0.00 H new ATOM 285 N ARG A 22 -13.448 5.550 8.501 1.00 0.00 N ATOM 286 CA ARG A 22 -13.014 6.939 8.409 1.00 0.00 C ATOM 287 C ARG A 22 -11.545 7.024 8.003 1.00 0.00 C ATOM 288 O ARG A 22 -11.117 7.995 7.377 1.00 0.00 O ATOM 289 CB ARG A 22 -13.227 7.652 9.745 1.00 0.00 C ATOM 290 CG ARG A 22 -14.671 8.055 9.996 1.00 0.00 C ATOM 291 CD ARG A 22 -15.065 9.264 9.162 1.00 0.00 C ATOM 292 NE ARG A 22 -16.513 9.453 9.121 1.00 0.00 N ATOM 293 CZ ARG A 22 -17.122 10.281 8.280 1.00 0.00 C ATOM 294 NH1 ARG A 22 -16.413 10.994 7.416 1.00 0.00 N ATOM 295 NH2 ARG A 22 -18.444 10.398 8.303 1.00 0.00 N ATOM 0 H ARG A 22 -12.992 5.014 9.239 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.614 7.431 7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.895 7.000 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.599 8.543 9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.329 7.219 9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.808 8.281 11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.594 10.157 9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.686 9.143 8.147 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.088 8.920 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.397 10.907 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.884 11.629 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.993 9.852 8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.911 11.034 7.657 1.00 0.00 H new ATOM 309 N THR A 23 -10.776 6.002 8.365 1.00 0.00 N ATOM 310 CA THR A 23 -9.356 5.961 8.041 1.00 0.00 C ATOM 311 C THR A 23 -8.869 4.526 7.881 1.00 0.00 C ATOM 312 O THR A 23 -9.585 3.578 8.204 1.00 0.00 O ATOM 313 CB THR A 23 -8.513 6.660 9.125 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.723 6.028 10.392 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.871 8.135 9.222 1.00 0.00 C ATOM 0 H THR A 23 -11.114 5.191 8.883 1.00 0.00 H new ATOM 0 HA THR A 23 -9.232 6.490 7.096 1.00 0.00 H new ATOM 0 HB THR A 23 -7.462 6.576 8.847 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.296 5.241 10.274 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.263 8.607 9.994 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.681 8.619 8.264 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.926 8.237 9.478 1.00 0.00 H new ATOM 323 N ALA A 24 -7.647 4.372 7.382 1.00 0.00 N ATOM 324 CA ALA A 24 -7.064 3.052 7.182 1.00 0.00 C ATOM 325 C ALA A 24 -5.547 3.136 7.049 1.00 0.00 C ATOM 326 O ALA A 24 -5.028 3.796 6.148 1.00 0.00 O ATOM 327 CB ALA A 24 -7.667 2.389 5.953 1.00 0.00 C ATOM 0 H ALA A 24 -7.042 5.146 7.109 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.293 2.445 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.222 1.403 5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.744 2.285 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.468 3.002 5.074 1.00 0.00 H new ATOM 333 N LEU A 25 -4.840 2.464 7.952 1.00 0.00 N ATOM 334 CA LEU A 25 -3.382 2.464 7.936 1.00 0.00 C ATOM 335 C LEU A 25 -2.846 1.257 7.172 1.00 0.00 C ATOM 336 O LEU A 25 -3.445 0.181 7.191 1.00 0.00 O ATOM 337 CB LEU A 25 -2.836 2.460 9.365 1.00 0.00 C ATOM 338 CG LEU A 25 -1.325 2.272 9.506 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.616 3.616 9.489 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.000 1.511 10.783 1.00 0.00 C ATOM 0 H LEU A 25 -5.253 1.913 8.704 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.049 3.370 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.111 3.402 9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.334 1.666 9.921 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.970 1.687 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.458 3.462 9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.822 4.124 8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.975 4.227 10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.080 1.386 10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.369 2.069 11.643 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.477 0.532 10.754 1.00 0.00 H new ATOM 352 N LEU A 26 -1.715 1.443 6.501 1.00 0.00 N ATOM 353 CA LEU A 26 -1.096 0.368 5.732 1.00 0.00 C ATOM 354 C LEU A 26 0.335 0.119 6.198 1.00 0.00 C ATOM 355 O LEU A 26 1.179 1.015 6.155 1.00 0.00 O ATOM 356 CB LEU A 26 -1.106 0.711 4.241 1.00 0.00 C ATOM 357 CG LEU A 26 -2.336 0.254 3.456 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.563 1.151 2.249 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.184 -1.197 3.023 1.00 0.00 C ATOM 0 H LEU A 26 -1.208 2.327 6.473 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.675 -0.541 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.014 1.792 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.222 0.270 3.781 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.207 0.329 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.443 0.810 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.718 2.177 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.691 1.109 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.069 -1.505 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.303 -1.297 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.071 -1.830 3.904 1.00 0.00 H new ATOM 371 N THR A 27 0.602 -1.105 6.643 1.00 0.00 N ATOM 372 CA THR A 27 1.931 -1.473 7.116 1.00 0.00 C ATOM 373 C THR A 27 2.649 -2.357 6.103 1.00 0.00 C ATOM 374 O THR A 27 2.067 -3.296 5.561 1.00 0.00 O ATOM 375 CB THR A 27 1.861 -2.211 8.466 1.00 0.00 C ATOM 376 OG1 THR A 27 1.044 -3.380 8.345 1.00 0.00 O ATOM 377 CG2 THR A 27 1.299 -1.303 9.550 1.00 0.00 C ATOM 0 H THR A 27 -0.084 -1.858 6.686 1.00 0.00 H new ATOM 0 HA THR A 27 2.489 -0.546 7.245 1.00 0.00 H new ATOM 0 HB THR A 27 2.873 -2.504 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.134 -3.927 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.259 -1.846 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.940 -0.429 9.661 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.295 -0.983 9.272 1.00 0.00 H new ATOM 385 N TRP A 28 3.918 -2.052 5.854 1.00 0.00 N ATOM 386 CA TRP A 28 4.717 -2.821 4.906 1.00 0.00 C ATOM 387 C TRP A 28 6.134 -3.025 5.429 1.00 0.00 C ATOM 388 O TRP A 28 6.661 -2.192 6.167 1.00 0.00 O ATOM 389 CB TRP A 28 4.757 -2.113 3.550 1.00 0.00 C ATOM 390 CG TRP A 28 5.578 -0.860 3.559 1.00 0.00 C ATOM 391 CD1 TRP A 28 6.933 -0.768 3.697 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.095 0.482 3.425 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.322 0.549 3.657 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.213 1.335 3.490 1.00 0.00 C ATOM 395 CE3 TRP A 28 3.827 1.044 3.254 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.100 2.720 3.392 1.00 0.00 C ATOM 397 CZ3 TRP A 28 3.716 2.418 3.158 1.00 0.00 C ATOM 398 CH2 TRP A 28 4.846 3.244 3.226 1.00 0.00 C ATOM 0 H TRP A 28 4.415 -1.278 6.295 1.00 0.00 H new ATOM 0 HA TRP A 28 4.251 -3.799 4.784 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.159 -2.797 2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.739 -1.870 3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.601 -1.608 3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.281 0.887 3.738 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.950 0.416 3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.970 3.357 3.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.741 2.863 3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.725 4.314 3.146 1.00 0.00 H new ATOM 409 N THR A 29 6.748 -4.139 5.042 1.00 0.00 N ATOM 410 CA THR A 29 8.105 -4.453 5.472 1.00 0.00 C ATOM 411 C THR A 29 9.136 -3.861 4.518 1.00 0.00 C ATOM 412 O THR A 29 9.320 -4.355 3.406 1.00 0.00 O ATOM 413 CB THR A 29 8.325 -5.974 5.569 1.00 0.00 C ATOM 414 OG1 THR A 29 7.612 -6.502 6.693 1.00 0.00 O ATOM 415 CG2 THR A 29 9.806 -6.299 5.703 1.00 0.00 C ATOM 0 H THR A 29 6.327 -4.839 4.431 1.00 0.00 H new ATOM 0 HA THR A 29 8.234 -4.011 6.460 1.00 0.00 H new ATOM 0 HB THR A 29 7.950 -6.432 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.756 -7.470 6.746 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.937 -7.379 5.770 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.342 -5.922 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.202 -5.829 6.603 1.00 0.00 H new ATOM 423 N GLU A 30 9.805 -2.801 4.960 1.00 0.00 N ATOM 424 CA GLU A 30 10.818 -2.143 4.143 1.00 0.00 C ATOM 425 C GLU A 30 12.128 -2.925 4.165 1.00 0.00 C ATOM 426 O GLU A 30 12.505 -3.524 5.172 1.00 0.00 O ATOM 427 CB GLU A 30 11.055 -0.715 4.638 1.00 0.00 C ATOM 428 CG GLU A 30 12.077 -0.621 5.758 1.00 0.00 C ATOM 429 CD GLU A 30 11.882 -1.689 6.817 1.00 0.00 C ATOM 430 OE1 GLU A 30 10.719 -1.952 7.187 1.00 0.00 O ATOM 431 OE2 GLU A 30 12.894 -2.261 7.275 1.00 0.00 O ATOM 0 H GLU A 30 9.664 -2.380 5.878 1.00 0.00 H new ATOM 0 HA GLU A 30 10.454 -2.108 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.387 -0.100 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.109 -0.298 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.079 -0.709 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.011 0.363 6.223 1.00 0.00 H new ATOM 438 N PRO A 31 12.839 -2.921 3.028 1.00 0.00 N ATOM 439 CA PRO A 31 14.117 -3.625 2.891 1.00 0.00 C ATOM 440 C PRO A 31 15.229 -2.971 3.703 1.00 0.00 C ATOM 441 O PRO A 31 15.084 -1.863 4.221 1.00 0.00 O ATOM 442 CB PRO A 31 14.419 -3.524 1.393 1.00 0.00 C ATOM 443 CG PRO A 31 13.690 -2.306 0.941 1.00 0.00 C ATOM 444 CD PRO A 31 12.450 -2.228 1.788 1.00 0.00 C ATOM 0 HA PRO A 31 14.060 -4.649 3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.490 -3.435 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.077 -4.411 0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.305 -1.414 1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.436 -2.373 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.159 -1.195 1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.602 -2.714 1.305 1.00 0.00 H new ATOM 452 N PRO A 32 16.368 -3.670 3.820 1.00 0.00 N ATOM 453 CA PRO A 32 17.528 -3.175 4.568 1.00 0.00 C ATOM 454 C PRO A 32 18.206 -1.998 3.875 1.00 0.00 C ATOM 455 O PRO A 32 19.209 -1.474 4.359 1.00 0.00 O ATOM 456 CB PRO A 32 18.465 -4.384 4.609 1.00 0.00 C ATOM 457 CG PRO A 32 18.090 -5.195 3.417 1.00 0.00 C ATOM 458 CD PRO A 32 16.612 -4.997 3.229 1.00 0.00 C ATOM 0 HA PRO A 32 17.249 -2.801 5.553 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.510 -4.077 4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.338 -4.952 5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 32 18.642 -4.871 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 32 18.326 -6.248 3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.334 -5.025 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 32 16.035 -5.773 3.732 1.00 0.00 H new ATOM 466 N VAL A 33 17.652 -1.588 2.738 1.00 0.00 N ATOM 467 CA VAL A 33 18.203 -0.472 1.979 1.00 0.00 C ATOM 468 C VAL A 33 17.182 0.652 1.834 1.00 0.00 C ATOM 469 O VAL A 33 16.177 0.505 1.139 1.00 0.00 O ATOM 470 CB VAL A 33 18.661 -0.918 0.578 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.101 0.282 -0.248 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.782 -1.941 0.685 1.00 0.00 C ATOM 0 H VAL A 33 16.822 -2.012 2.323 1.00 0.00 H new ATOM 0 HA VAL A 33 19.066 -0.106 2.536 1.00 0.00 H new ATOM 0 HB VAL A 33 17.818 -1.388 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.421 -0.053 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.268 0.976 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.930 0.783 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.094 -2.245 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.629 -1.499 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.428 -2.812 1.236 1.00 0.00 H new ATOM 482 N ARG A 34 17.448 1.774 2.495 1.00 0.00 N ATOM 483 CA ARG A 34 16.551 2.922 2.441 1.00 0.00 C ATOM 484 C ARG A 34 16.464 3.477 1.022 1.00 0.00 C ATOM 485 O ARG A 34 17.425 4.026 0.484 1.00 0.00 O ATOM 486 CB ARG A 34 17.030 4.015 3.399 1.00 0.00 C ATOM 487 CG ARG A 34 15.954 5.028 3.753 1.00 0.00 C ATOM 488 CD ARG A 34 16.364 5.883 4.942 1.00 0.00 C ATOM 489 NE ARG A 34 17.184 7.023 4.540 1.00 0.00 N ATOM 490 CZ ARG A 34 17.391 8.087 5.308 1.00 0.00 C ATOM 491 NH1 ARG A 34 16.841 8.157 6.512 1.00 0.00 N ATOM 492 NH2 ARG A 34 18.150 9.084 4.871 1.00 0.00 N ATOM 0 H ARG A 34 18.277 1.912 3.074 1.00 0.00 H new ATOM 0 HA ARG A 34 15.558 2.591 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.395 3.550 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.874 4.537 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.759 5.668 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.024 4.508 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.472 6.241 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.918 5.271 5.654 1.00 0.00 H new ATOM 0 HE ARG A 34 17.622 7.001 3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.257 7.393 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.002 8.975 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.575 9.034 3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.309 9.901 5.461 1.00 0.00 H new ATOM 506 N PRO A 35 15.284 3.330 0.401 1.00 0.00 N ATOM 507 CA PRO A 35 15.043 3.810 -0.963 1.00 0.00 C ATOM 508 C PRO A 35 15.007 5.332 -1.045 1.00 0.00 C ATOM 509 O PRO A 35 14.752 6.010 -0.050 1.00 0.00 O ATOM 510 CB PRO A 35 13.671 3.224 -1.308 1.00 0.00 C ATOM 511 CG PRO A 35 13.002 3.028 0.009 1.00 0.00 C ATOM 512 CD PRO A 35 14.095 2.685 0.983 1.00 0.00 C ATOM 0 HA PRO A 35 15.836 3.507 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.101 3.900 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.767 2.282 -1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.475 3.931 0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.262 2.229 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.879 3.067 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.227 1.607 1.076 1.00 0.00 H new ATOM 520 N ALA A 36 15.265 5.862 -2.236 1.00 0.00 N ATOM 521 CA ALA A 36 15.260 7.305 -2.447 1.00 0.00 C ATOM 522 C ALA A 36 13.910 7.909 -2.076 1.00 0.00 C ATOM 523 O ALA A 36 13.839 8.875 -1.317 1.00 0.00 O ATOM 524 CB ALA A 36 15.605 7.627 -3.893 1.00 0.00 C ATOM 0 H ALA A 36 15.480 5.314 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 36 16.016 7.746 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.598 8.707 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.596 7.236 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.869 7.168 -4.553 1.00 0.00 H new ATOM 530 N GLY A 37 12.840 7.334 -2.617 1.00 0.00 N ATOM 531 CA GLY A 37 11.507 7.830 -2.331 1.00 0.00 C ATOM 532 C GLY A 37 10.453 6.744 -2.419 1.00 0.00 C ATOM 533 O GLY A 37 10.725 5.642 -2.895 1.00 0.00 O ATOM 0 H GLY A 37 12.873 6.533 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.492 8.267 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.261 8.628 -3.032 1.00 0.00 H new ATOM 537 N TYR A 38 9.247 7.054 -1.956 1.00 0.00 N ATOM 538 CA TYR A 38 8.149 6.095 -1.981 1.00 0.00 C ATOM 539 C TYR A 38 6.948 6.660 -2.733 1.00 0.00 C ATOM 540 O TYR A 38 6.696 7.866 -2.709 1.00 0.00 O ATOM 541 CB TYR A 38 7.741 5.719 -0.555 1.00 0.00 C ATOM 542 CG TYR A 38 8.513 4.546 0.006 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.499 3.312 -0.630 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.256 4.674 1.173 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.202 2.237 -0.120 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.964 3.606 1.689 1.00 0.00 C ATOM 547 CZ TYR A 38 9.933 2.390 1.040 1.00 0.00 C ATOM 548 OH TYR A 38 10.636 1.322 1.550 1.00 0.00 O ATOM 0 H TYR A 38 9.005 7.962 -1.559 1.00 0.00 H new ATOM 0 HA TYR A 38 8.493 5.201 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.885 6.582 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.677 5.483 -0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.929 3.190 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.280 5.624 1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.179 1.283 -0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.539 3.723 2.596 1.00 0.00 H new ATOM 0 HH TYR A 38 11.098 1.596 2.370 1.00 0.00 H new ATOM 558 N LEU A 39 6.210 5.781 -3.401 1.00 0.00 N ATOM 559 CA LEU A 39 5.034 6.190 -4.161 1.00 0.00 C ATOM 560 C LEU A 39 3.839 5.299 -3.838 1.00 0.00 C ATOM 561 O LEU A 39 3.727 4.183 -4.348 1.00 0.00 O ATOM 562 CB LEU A 39 5.330 6.142 -5.661 1.00 0.00 C ATOM 563 CG LEU A 39 4.156 6.461 -6.588 1.00 0.00 C ATOM 564 CD1 LEU A 39 3.823 7.944 -6.536 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.470 6.033 -8.014 1.00 0.00 C ATOM 0 H LEU A 39 6.405 4.780 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 39 4.787 7.213 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.136 6.844 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.700 5.147 -5.906 1.00 0.00 H new ATOM 0 HG LEU A 39 3.285 5.901 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.985 8.152 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.554 8.221 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.691 8.523 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.623 6.268 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.354 6.564 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.658 4.960 -8.039 1.00 0.00 H new ATOM 577 N LEU A 40 2.948 5.798 -2.989 1.00 0.00 N ATOM 578 CA LEU A 40 1.759 5.048 -2.599 1.00 0.00 C ATOM 579 C LEU A 40 0.563 5.433 -3.465 1.00 0.00 C ATOM 580 O LEU A 40 0.033 6.538 -3.352 1.00 0.00 O ATOM 581 CB LEU A 40 1.436 5.296 -1.125 1.00 0.00 C ATOM 582 CG LEU A 40 0.376 4.383 -0.507 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.975 3.030 -0.157 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.234 5.033 0.727 1.00 0.00 C ATOM 0 H LEU A 40 3.026 6.719 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 40 1.964 3.988 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.356 5.192 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.106 6.329 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.415 4.228 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.206 2.394 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.363 2.559 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.786 3.165 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.986 4.369 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.547 5.218 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.700 5.978 0.448 1.00 0.00 H new ATOM 596 N SER A 41 0.143 4.513 -4.328 1.00 0.00 N ATOM 597 CA SER A 41 -0.989 4.757 -5.214 1.00 0.00 C ATOM 598 C SER A 41 -2.230 4.016 -4.726 1.00 0.00 C ATOM 599 O SER A 41 -2.298 2.788 -4.788 1.00 0.00 O ATOM 600 CB SER A 41 -0.649 4.322 -6.641 1.00 0.00 C ATOM 601 OG SER A 41 0.411 5.098 -7.172 1.00 0.00 O ATOM 0 H SER A 41 0.570 3.592 -4.432 1.00 0.00 H new ATOM 0 HA SER A 41 -1.200 5.826 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.371 3.268 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.530 4.422 -7.275 1.00 0.00 H new ATOM 0 HG SER A 41 0.610 4.799 -8.084 1.00 0.00 H new ATOM 607 N PHE A 42 -3.209 4.771 -4.241 1.00 0.00 N ATOM 608 CA PHE A 42 -4.449 4.188 -3.741 1.00 0.00 C ATOM 609 C PHE A 42 -5.644 4.665 -4.560 1.00 0.00 C ATOM 610 O PHE A 42 -5.807 5.862 -4.802 1.00 0.00 O ATOM 611 CB PHE A 42 -4.649 4.548 -2.267 1.00 0.00 C ATOM 612 CG PHE A 42 -5.271 5.900 -2.060 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.504 7.050 -2.146 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.623 6.019 -1.780 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.073 8.295 -1.954 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.198 7.262 -1.589 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.422 8.401 -1.677 1.00 0.00 C ATOM 0 H PHE A 42 -3.168 5.789 -4.183 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.376 3.105 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.279 3.792 -1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.685 4.519 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.449 6.973 -2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.234 5.131 -1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.463 9.184 -2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.253 7.342 -1.371 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.869 9.373 -1.529 1.00 0.00 H new ATOM 627 N HIS A 43 -6.478 3.721 -4.985 1.00 0.00 N ATOM 628 CA HIS A 43 -7.659 4.045 -5.778 1.00 0.00 C ATOM 629 C HIS A 43 -8.782 3.046 -5.512 1.00 0.00 C ATOM 630 O HIS A 43 -8.534 1.912 -5.100 1.00 0.00 O ATOM 631 CB HIS A 43 -7.313 4.056 -7.267 1.00 0.00 C ATOM 632 CG HIS A 43 -7.485 2.726 -7.932 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.828 1.586 -7.519 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.248 2.356 -8.988 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.178 0.574 -8.292 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.039 1.014 -9.191 1.00 0.00 N ATOM 0 H HIS A 43 -6.358 2.726 -4.794 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.002 5.038 -5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.942 4.789 -7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.280 4.383 -7.389 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.900 2.997 -9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.821 -0.441 -8.204 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.478 0.449 -9.918 1.00 0.00 H new ATOM 645 N THR A 44 -10.017 3.475 -5.750 1.00 0.00 N ATOM 646 CA THR A 44 -11.178 2.620 -5.535 1.00 0.00 C ATOM 647 C THR A 44 -11.582 1.908 -6.821 1.00 0.00 C ATOM 648 O THR A 44 -11.330 2.384 -7.928 1.00 0.00 O ATOM 649 CB THR A 44 -12.380 3.427 -5.009 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.174 3.894 -6.104 1.00 0.00 O ATOM 651 CG2 THR A 44 -11.914 4.609 -4.173 1.00 0.00 C ATOM 0 H THR A 44 -10.239 4.410 -6.092 1.00 0.00 H new ATOM 0 HA THR A 44 -10.892 1.880 -4.788 1.00 0.00 H new ATOM 0 HB THR A 44 -12.981 2.772 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.937 4.405 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.780 5.164 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.335 4.248 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.292 5.264 -4.783 1.00 0.00 H new ATOM 659 N PRO A 45 -12.225 0.740 -6.674 1.00 0.00 N ATOM 660 CA PRO A 45 -12.680 -0.062 -7.814 1.00 0.00 C ATOM 661 C PRO A 45 -13.836 0.594 -8.560 1.00 0.00 C ATOM 662 O PRO A 45 -14.999 0.251 -8.348 1.00 0.00 O ATOM 663 CB PRO A 45 -13.135 -1.372 -7.167 1.00 0.00 C ATOM 664 CG PRO A 45 -13.494 -1.000 -5.770 1.00 0.00 C ATOM 665 CD PRO A 45 -12.560 0.113 -5.385 1.00 0.00 C ATOM 0 HA PRO A 45 -11.897 -0.189 -8.561 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.988 -1.799 -7.695 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.342 -2.119 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.533 -0.677 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.384 -1.852 -5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.036 0.820 -4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.671 -0.265 -4.879 1.00 0.00 H new ATOM 704 N THR A 49 -8.245 7.952 -9.233 1.00 0.00 N ATOM 705 CA THR A 49 -7.008 7.512 -8.600 1.00 0.00 C ATOM 706 C THR A 49 -6.201 8.699 -8.087 1.00 0.00 C ATOM 707 O THR A 49 -6.048 9.703 -8.781 1.00 0.00 O ATOM 708 CB THR A 49 -6.137 6.698 -9.576 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.921 5.670 -10.192 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.953 6.074 -8.853 1.00 0.00 C ATOM 0 HA THR A 49 -7.291 6.878 -7.760 1.00 0.00 H new ATOM 0 HB THR A 49 -5.759 7.375 -10.342 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.850 5.971 -10.273 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.353 5.504 -9.562 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.342 6.860 -8.410 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.315 5.410 -8.068 1.00 0.00 H new ATOM 718 N GLN A 50 -5.686 8.576 -6.867 1.00 0.00 N ATOM 719 CA GLN A 50 -4.895 9.640 -6.262 1.00 0.00 C ATOM 720 C GLN A 50 -3.490 9.150 -5.926 1.00 0.00 C ATOM 721 O GLN A 50 -3.313 8.038 -5.430 1.00 0.00 O ATOM 722 CB GLN A 50 -5.582 10.159 -4.997 1.00 0.00 C ATOM 723 CG GLN A 50 -4.900 11.374 -4.390 1.00 0.00 C ATOM 724 CD GLN A 50 -5.767 12.077 -3.363 1.00 0.00 C ATOM 725 OE1 GLN A 50 -6.680 11.481 -2.792 1.00 0.00 O ATOM 726 NE2 GLN A 50 -5.484 13.352 -3.122 1.00 0.00 N ATOM 0 H GLN A 50 -5.803 7.750 -6.279 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.814 10.453 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.616 10.413 -5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.611 9.361 -4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.966 11.065 -3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.642 12.075 -5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.718 13.807 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.033 13.876 -2.440 1.00 0.00 H new ATOM 735 N GLU A 51 -2.495 9.987 -6.202 1.00 0.00 N ATOM 736 CA GLU A 51 -1.106 9.638 -5.930 1.00 0.00 C ATOM 737 C GLU A 51 -0.540 10.493 -4.799 1.00 0.00 C ATOM 738 O GLU A 51 -0.615 11.721 -4.840 1.00 0.00 O ATOM 739 CB GLU A 51 -0.256 9.813 -7.190 1.00 0.00 C ATOM 740 CG GLU A 51 -0.468 8.720 -8.224 1.00 0.00 C ATOM 741 CD GLU A 51 0.333 8.951 -9.490 1.00 0.00 C ATOM 742 OE1 GLU A 51 0.255 10.067 -10.046 1.00 0.00 O ATOM 743 OE2 GLU A 51 1.037 8.017 -9.926 1.00 0.00 O ATOM 0 H GLU A 51 -2.625 10.911 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.076 8.593 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.485 10.778 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.797 9.835 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.190 7.758 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.527 8.662 -8.474 1.00 0.00 H new ATOM 750 N ILE A 52 0.024 9.834 -3.793 1.00 0.00 N ATOM 751 CA ILE A 52 0.602 10.533 -2.652 1.00 0.00 C ATOM 752 C ILE A 52 2.113 10.339 -2.596 1.00 0.00 C ATOM 753 O ILE A 52 2.601 9.222 -2.417 1.00 0.00 O ATOM 754 CB ILE A 52 -0.015 10.052 -1.325 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.538 10.196 -1.364 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.566 10.834 -0.156 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.234 9.578 -0.172 1.00 0.00 C ATOM 0 H ILE A 52 0.093 8.817 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 52 0.378 11.592 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 52 0.229 8.998 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.794 11.254 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.915 9.732 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.120 10.482 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.645 10.686 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.349 11.895 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.311 9.718 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.009 8.512 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.885 10.058 0.742 1.00 0.00 H new ATOM 769 N LEU A 53 2.851 11.433 -2.750 1.00 0.00 N ATOM 770 CA LEU A 53 4.308 11.385 -2.715 1.00 0.00 C ATOM 771 C LEU A 53 4.814 11.231 -1.284 1.00 0.00 C ATOM 772 O LEU A 53 4.786 12.180 -0.499 1.00 0.00 O ATOM 773 CB LEU A 53 4.895 12.650 -3.343 1.00 0.00 C ATOM 774 CG LEU A 53 6.386 12.602 -3.682 1.00 0.00 C ATOM 775 CD1 LEU A 53 6.642 11.631 -4.824 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.897 13.991 -4.035 1.00 0.00 C ATOM 0 H LEU A 53 2.464 12.365 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 53 4.632 10.518 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.342 12.868 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.725 13.483 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 53 6.928 12.250 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.708 11.610 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.313 10.633 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.089 11.953 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.959 13.938 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.350 14.372 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.748 14.660 -3.187 1.00 0.00 H new ATOM 788 N LEU A 54 5.279 10.032 -0.952 1.00 0.00 N ATOM 789 CA LEU A 54 5.794 9.754 0.384 1.00 0.00 C ATOM 790 C LEU A 54 7.146 10.426 0.597 1.00 0.00 C ATOM 791 O LEU A 54 7.899 10.674 -0.345 1.00 0.00 O ATOM 792 CB LEU A 54 5.923 8.244 0.599 1.00 0.00 C ATOM 793 CG LEU A 54 4.620 7.492 0.873 1.00 0.00 C ATOM 794 CD1 LEU A 54 4.081 7.844 2.251 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.588 7.803 -0.201 1.00 0.00 C ATOM 0 H LEU A 54 5.310 9.237 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 54 5.089 10.159 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.391 7.810 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.601 8.073 1.435 1.00 0.00 H new ATOM 0 HG LEU A 54 4.828 6.422 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.154 7.300 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.814 7.569 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.889 8.916 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.667 7.259 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.383 8.874 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.973 7.500 -1.174 1.00 0.00 H new ATOM 807 N PRO A 55 7.464 10.728 1.865 1.00 0.00 N ATOM 808 CA PRO A 55 8.728 11.373 2.232 1.00 0.00 C ATOM 809 C PRO A 55 9.926 10.448 2.048 1.00 0.00 C ATOM 810 O PRO A 55 11.075 10.885 2.104 1.00 0.00 O ATOM 811 CB PRO A 55 8.537 11.712 3.712 1.00 0.00 C ATOM 812 CG PRO A 55 7.531 10.727 4.199 1.00 0.00 C ATOM 813 CD PRO A 55 6.615 10.461 3.038 1.00 0.00 C ATOM 0 HA PRO A 55 8.940 12.240 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.474 11.626 4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.184 12.735 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.014 9.809 4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.977 11.123 5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.248 9.435 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.741 11.112 3.058 1.00 0.00 H new ATOM 821 N GLY A 56 9.650 9.166 1.827 1.00 0.00 N ATOM 822 CA GLY A 56 10.716 8.200 1.637 1.00 0.00 C ATOM 823 C GLY A 56 11.437 7.871 2.930 1.00 0.00 C ATOM 824 O GLY A 56 12.186 8.693 3.457 1.00 0.00 O ATOM 0 H GLY A 56 8.707 8.780 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.302 7.285 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.432 8.591 0.914 1.00 0.00 H new ATOM 828 N GLY A 57 11.210 6.666 3.443 1.00 0.00 N ATOM 829 CA GLY A 57 11.849 6.253 4.678 1.00 0.00 C ATOM 830 C GLY A 57 10.849 5.946 5.775 1.00 0.00 C ATOM 831 O GLY A 57 11.084 6.256 6.943 1.00 0.00 O ATOM 0 H GLY A 57 10.595 5.968 3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.459 5.370 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.523 7.040 5.015 1.00 0.00 H new ATOM 835 N ILE A 58 9.729 5.338 5.399 1.00 0.00 N ATOM 836 CA ILE A 58 8.689 4.990 6.359 1.00 0.00 C ATOM 837 C ILE A 58 8.283 3.527 6.224 1.00 0.00 C ATOM 838 O ILE A 58 8.702 2.837 5.293 1.00 0.00 O ATOM 839 CB ILE A 58 7.442 5.876 6.183 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.535 5.306 5.091 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.848 7.304 5.851 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.312 6.154 4.817 1.00 0.00 C ATOM 0 H ILE A 58 9.519 5.076 4.436 1.00 0.00 H new ATOM 0 HA ILE A 58 9.107 5.158 7.352 1.00 0.00 H new ATOM 0 HB ILE A 58 6.887 5.887 7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.109 5.203 4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.216 4.305 5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.955 7.917 5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.458 7.706 6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.423 7.313 4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.715 5.689 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.715 6.236 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.623 7.148 4.496 1.00 0.00 H new ATOM 854 N THR A 59 7.462 3.057 7.159 1.00 0.00 N ATOM 855 CA THR A 59 6.998 1.676 7.144 1.00 0.00 C ATOM 856 C THR A 59 5.476 1.607 7.169 1.00 0.00 C ATOM 857 O THR A 59 4.893 0.523 7.141 1.00 0.00 O ATOM 858 CB THR A 59 7.556 0.883 8.341 1.00 0.00 C ATOM 859 OG1 THR A 59 7.334 1.608 9.556 1.00 0.00 O ATOM 860 CG2 THR A 59 9.044 0.618 8.168 1.00 0.00 C ATOM 0 H THR A 59 7.105 3.613 7.936 1.00 0.00 H new ATOM 0 HA THR A 59 7.364 1.230 6.219 1.00 0.00 H new ATOM 0 HB THR A 59 7.035 -0.073 8.389 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.690 1.096 10.312 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.416 0.057 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.207 0.041 7.258 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.577 1.566 8.097 1.00 0.00 H new ATOM 868 N SER A 60 4.836 2.771 7.220 1.00 0.00 N ATOM 869 CA SER A 60 3.380 2.842 7.252 1.00 0.00 C ATOM 870 C SER A 60 2.901 4.275 7.038 1.00 0.00 C ATOM 871 O SER A 60 3.562 5.230 7.448 1.00 0.00 O ATOM 872 CB SER A 60 2.851 2.310 8.585 1.00 0.00 C ATOM 873 OG SER A 60 3.274 3.125 9.664 1.00 0.00 O ATOM 0 H SER A 60 5.303 3.678 7.240 1.00 0.00 H new ATOM 0 HA SER A 60 2.993 2.223 6.443 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.762 2.273 8.559 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.201 1.289 8.737 1.00 0.00 H new ATOM 0 HG SER A 60 2.921 2.764 10.504 1.00 0.00 H new ATOM 879 N HIS A 61 1.748 4.417 6.392 1.00 0.00 N ATOM 880 CA HIS A 61 1.180 5.733 6.124 1.00 0.00 C ATOM 881 C HIS A 61 -0.318 5.747 6.414 1.00 0.00 C ATOM 882 O HIS A 61 -1.052 4.861 5.977 1.00 0.00 O ATOM 883 CB HIS A 61 1.433 6.134 4.670 1.00 0.00 C ATOM 884 CG HIS A 61 1.532 7.615 4.466 1.00 0.00 C ATOM 885 ND1 HIS A 61 0.831 8.289 3.489 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.256 8.552 5.122 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.119 9.576 3.551 1.00 0.00 C ATOM 888 NE2 HIS A 61 1.982 9.763 4.534 1.00 0.00 N ATOM 0 H HIS A 61 1.189 3.637 6.045 1.00 0.00 H new ATOM 0 HA HIS A 61 1.667 6.453 6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.356 5.666 4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.628 5.743 4.048 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.924 8.380 5.953 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.718 10.345 2.908 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.380 10.660 4.811 1.00 0.00 H new ATOM 897 N GLN A 62 -0.763 6.758 7.153 1.00 0.00 N ATOM 898 CA GLN A 62 -2.173 6.886 7.502 1.00 0.00 C ATOM 899 C GLN A 62 -2.946 7.597 6.397 1.00 0.00 C ATOM 900 O GLN A 62 -2.723 8.779 6.131 1.00 0.00 O ATOM 901 CB GLN A 62 -2.327 7.648 8.820 1.00 0.00 C ATOM 902 CG GLN A 62 -3.774 7.914 9.203 1.00 0.00 C ATOM 903 CD GLN A 62 -4.437 6.713 9.849 1.00 0.00 C ATOM 904 OE1 GLN A 62 -4.249 6.450 11.037 1.00 0.00 O ATOM 905 NE2 GLN A 62 -5.218 5.977 9.068 1.00 0.00 N ATOM 0 H GLN A 62 -0.168 7.500 7.521 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.584 5.883 7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.847 7.080 9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.799 8.599 8.744 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.815 8.760 9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.335 8.199 8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.345 6.232 8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.691 5.157 9.447 1.00 0.00 H new ATOM 914 N LEU A 63 -3.854 6.871 5.755 1.00 0.00 N ATOM 915 CA LEU A 63 -4.660 7.432 4.677 1.00 0.00 C ATOM 916 C LEU A 63 -5.910 8.110 5.228 1.00 0.00 C ATOM 917 O LEU A 63 -6.698 7.494 5.946 1.00 0.00 O ATOM 918 CB LEU A 63 -5.056 6.337 3.685 1.00 0.00 C ATOM 919 CG LEU A 63 -3.911 5.701 2.896 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.358 4.389 2.270 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.403 6.658 1.827 1.00 0.00 C ATOM 0 H LEU A 63 -4.051 5.892 5.962 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.060 8.181 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.575 5.550 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.770 6.757 2.976 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.093 5.491 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.530 3.951 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.672 3.700 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.193 4.574 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.588 6.188 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.214 6.900 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.042 7.572 2.299 1.00 0.00 H new ATOM 933 N LEU A 64 -6.087 9.382 4.885 1.00 0.00 N ATOM 934 CA LEU A 64 -7.243 10.144 5.344 1.00 0.00 C ATOM 935 C LEU A 64 -8.221 10.391 4.200 1.00 0.00 C ATOM 936 O LEU A 64 -7.820 10.744 3.092 1.00 0.00 O ATOM 937 CB LEU A 64 -6.795 11.478 5.943 1.00 0.00 C ATOM 938 CG LEU A 64 -5.661 11.407 6.966 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.120 12.797 7.262 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.138 10.734 8.245 1.00 0.00 C ATOM 0 H LEU A 64 -5.445 9.907 4.291 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.750 9.560 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.483 12.132 5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.656 11.948 6.417 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.854 10.809 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.314 12.726 7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.739 13.242 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.919 13.421 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.318 10.692 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.963 11.305 8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.475 9.722 8.020 1.00 0.00 H new ATOM 952 N GLY A 65 -9.508 10.204 4.477 1.00 0.00 N ATOM 953 CA GLY A 65 -10.524 10.413 3.462 1.00 0.00 C ATOM 954 C GLY A 65 -10.874 9.138 2.721 1.00 0.00 C ATOM 955 O GLY A 65 -10.504 8.964 1.559 1.00 0.00 O ATOM 0 H GLY A 65 -9.865 9.911 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.422 10.816 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.173 11.159 2.749 1.00 0.00 H new ATOM 959 N LEU A 66 -11.588 8.242 3.393 1.00 0.00 N ATOM 960 CA LEU A 66 -11.988 6.974 2.792 1.00 0.00 C ATOM 961 C LEU A 66 -13.499 6.787 2.869 1.00 0.00 C ATOM 962 O LEU A 66 -14.187 7.499 3.602 1.00 0.00 O ATOM 963 CB LEU A 66 -11.282 5.811 3.491 1.00 0.00 C ATOM 964 CG LEU A 66 -9.759 5.913 3.592 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.205 4.786 4.449 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.130 5.890 2.206 1.00 0.00 C ATOM 0 H LEU A 66 -11.902 8.370 4.355 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.696 6.990 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.688 5.719 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.530 4.891 2.962 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.508 6.861 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.120 4.875 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.631 4.847 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.466 3.827 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.046 5.963 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.390 4.958 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.503 6.732 1.623 1.00 0.00 H new ATOM 978 N PHE A 67 -14.011 5.823 2.111 1.00 0.00 N ATOM 979 CA PHE A 67 -15.441 5.541 2.094 1.00 0.00 C ATOM 980 C PHE A 67 -15.771 4.349 2.988 1.00 0.00 C ATOM 981 O PHE A 67 -14.990 3.407 3.122 1.00 0.00 O ATOM 982 CB PHE A 67 -15.912 5.265 0.665 1.00 0.00 C ATOM 983 CG PHE A 67 -15.832 6.466 -0.234 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.258 7.709 0.208 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.332 6.353 -1.521 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.186 8.815 -0.617 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.258 7.456 -2.351 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.685 8.688 -1.898 1.00 0.00 C ATOM 0 H PHE A 67 -13.456 5.224 1.500 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.963 6.418 2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.309 4.462 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.942 4.909 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.651 7.814 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -14.996 5.392 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.521 9.778 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.867 7.354 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.627 9.551 -2.544 1.00 0.00 H new ATOM 998 N PRO A 68 -16.955 4.391 3.616 1.00 0.00 N ATOM 999 CA PRO A 68 -17.416 3.323 4.509 1.00 0.00 C ATOM 1000 C PRO A 68 -17.751 2.041 3.754 1.00 0.00 C ATOM 1001 O PRO A 68 -18.607 2.035 2.870 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.677 3.913 5.146 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.165 4.918 4.160 1.00 0.00 C ATOM 1004 CD PRO A 68 -17.936 5.483 3.503 1.00 0.00 C ATOM 0 HA PRO A 68 -16.651 3.037 5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.426 3.142 5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.455 4.377 6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.823 4.456 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.739 5.702 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.123 5.749 2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.591 6.386 4.006 1.00 0.00 H new ATOM 1012 N SER A 69 -17.070 0.956 4.110 1.00 0.00 N ATOM 1013 CA SER A 69 -17.293 -0.332 3.463 1.00 0.00 C ATOM 1014 C SER A 69 -16.896 -0.277 1.991 1.00 0.00 C ATOM 1015 O SER A 69 -17.531 -0.901 1.140 1.00 0.00 O ATOM 1016 CB SER A 69 -18.761 -0.744 3.592 1.00 0.00 C ATOM 1017 OG SER A 69 -18.970 -2.051 3.088 1.00 0.00 O ATOM 0 H SER A 69 -16.360 0.943 4.842 1.00 0.00 H new ATOM 0 HA SER A 69 -16.669 -1.074 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.063 -0.702 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.389 -0.037 3.050 1.00 0.00 H new ATOM 0 HG SER A 69 -18.640 -2.103 2.167 1.00 0.00 H new ATOM 1023 N THR A 70 -15.839 0.474 1.698 1.00 0.00 N ATOM 1024 CA THR A 70 -15.356 0.613 0.330 1.00 0.00 C ATOM 1025 C THR A 70 -13.972 -0.006 0.170 1.00 0.00 C ATOM 1026 O THR A 70 -13.070 0.253 0.967 1.00 0.00 O ATOM 1027 CB THR A 70 -15.297 2.091 -0.098 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.605 2.671 -0.038 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.742 2.225 -1.508 1.00 0.00 C ATOM 0 H THR A 70 -15.301 0.995 2.390 1.00 0.00 H new ATOM 0 HA THR A 70 -16.064 0.085 -0.310 1.00 0.00 H new ATOM 0 HB THR A 70 -14.634 2.618 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.747 3.239 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.710 3.278 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.735 1.809 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.383 1.684 -2.204 1.00 0.00 H new ATOM 1037 N SER A 71 -13.811 -0.825 -0.865 1.00 0.00 N ATOM 1038 CA SER A 71 -12.537 -1.483 -1.127 1.00 0.00 C ATOM 1039 C SER A 71 -11.535 -0.506 -1.736 1.00 0.00 C ATOM 1040 O SER A 71 -11.897 0.343 -2.551 1.00 0.00 O ATOM 1041 CB SER A 71 -12.738 -2.675 -2.065 1.00 0.00 C ATOM 1042 OG SER A 71 -11.496 -3.244 -2.441 1.00 0.00 O ATOM 0 H SER A 71 -14.547 -1.048 -1.535 1.00 0.00 H new ATOM 0 HA SER A 71 -12.139 -1.840 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.353 -3.429 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.279 -2.354 -2.955 1.00 0.00 H new ATOM 0 HG SER A 71 -11.652 -4.005 -3.039 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.276 -0.633 -1.334 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.221 0.239 -1.837 1.00 0.00 C ATOM 1050 C TYR A 72 -8.001 -0.571 -2.264 1.00 0.00 C ATOM 1051 O TYR A 72 -7.609 -1.524 -1.592 1.00 0.00 O ATOM 1052 CB TYR A 72 -8.822 1.259 -0.770 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.833 2.369 -0.585 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -10.878 2.238 0.322 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -9.744 3.546 -1.316 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -11.804 3.249 0.494 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -10.665 4.562 -1.149 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.693 4.409 -0.243 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.613 5.418 -0.075 1.00 0.00 O ATOM 0 H TYR A 72 -9.961 -1.332 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.607 0.767 -2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.683 0.743 0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.860 1.696 -1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -10.968 1.331 0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.941 3.669 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -12.611 3.131 1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.580 5.472 -1.725 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.306 5.347 -0.764 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.405 -0.183 -3.387 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.228 -0.873 -3.904 1.00 0.00 C ATOM 1071 C ASN A 73 -4.987 0.008 -3.789 1.00 0.00 C ATOM 1072 O ASN A 73 -4.792 0.929 -4.582 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.449 -1.275 -5.364 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.297 -2.090 -5.919 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -4.191 -1.580 -6.101 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -5.552 -3.364 -6.192 1.00 0.00 N ATOM 0 H ASN A 73 -7.717 0.604 -3.956 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.071 -1.771 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.370 -1.852 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.581 -0.378 -5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.816 -3.962 -6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.484 -3.745 -6.025 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.152 -0.283 -2.797 1.00 0.00 N ATOM 1084 CA ALA A 74 -2.929 0.479 -2.580 1.00 0.00 C ATOM 1085 C ALA A 74 -1.763 -0.118 -3.361 1.00 0.00 C ATOM 1086 O ALA A 74 -1.809 -1.278 -3.772 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.599 0.536 -1.096 1.00 0.00 C ATOM 0 H ALA A 74 -4.300 -1.041 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.093 1.493 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.683 1.108 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.417 1.016 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.460 -0.476 -0.715 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.721 0.681 -3.562 1.00 0.00 N ATOM 1094 CA ARG A 75 0.456 0.230 -4.295 1.00 0.00 C ATOM 1095 C ARG A 75 1.697 1.005 -3.860 1.00 0.00 C ATOM 1096 O ARG A 75 1.851 2.184 -4.182 1.00 0.00 O ATOM 1097 CB ARG A 75 0.240 0.397 -5.801 1.00 0.00 C ATOM 1098 CG ARG A 75 1.264 -0.340 -6.648 1.00 0.00 C ATOM 1099 CD ARG A 75 1.493 0.359 -7.979 1.00 0.00 C ATOM 1100 NE ARG A 75 0.528 -0.061 -8.991 1.00 0.00 N ATOM 1101 CZ ARG A 75 0.493 0.434 -10.223 1.00 0.00 C ATOM 1102 NH1 ARG A 75 1.363 1.363 -10.593 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -0.415 0.001 -11.088 1.00 0.00 N ATOM 0 H ARG A 75 -0.667 1.643 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 75 0.610 -0.826 -4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.757 0.039 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.272 1.458 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.206 -0.408 -6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.924 -1.360 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.424 1.438 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.503 0.147 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.157 -0.773 -8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.062 1.700 -9.931 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.334 1.741 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.087 -0.713 -10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.441 0.382 -12.034 1.00 0.00 H new ATOM 1117 N LEU A 76 2.579 0.334 -3.127 1.00 0.00 N ATOM 1118 CA LEU A 76 3.807 0.959 -2.646 1.00 0.00 C ATOM 1119 C LEU A 76 4.965 0.689 -3.601 1.00 0.00 C ATOM 1120 O LEU A 76 5.286 -0.463 -3.892 1.00 0.00 O ATOM 1121 CB LEU A 76 4.152 0.442 -1.249 1.00 0.00 C ATOM 1122 CG LEU A 76 5.515 0.861 -0.696 1.00 0.00 C ATOM 1123 CD1 LEU A 76 5.459 2.284 -0.162 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.968 -0.102 0.392 1.00 0.00 C ATOM 0 H LEU A 76 2.467 -0.642 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 76 3.643 2.036 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.381 0.782 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.108 -0.647 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 76 6.242 0.828 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.437 2.565 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.180 2.964 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.720 2.344 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.940 0.212 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.241 -0.101 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.048 -1.107 -0.022 1.00 0.00 H new ATOM 1136 N GLN A 77 5.588 1.759 -4.084 1.00 0.00 N ATOM 1137 CA GLN A 77 6.712 1.637 -5.006 1.00 0.00 C ATOM 1138 C GLN A 77 7.841 2.585 -4.616 1.00 0.00 C ATOM 1139 O GLN A 77 7.632 3.789 -4.473 1.00 0.00 O ATOM 1140 CB GLN A 77 6.258 1.926 -6.438 1.00 0.00 C ATOM 1141 CG GLN A 77 7.128 1.267 -7.496 1.00 0.00 C ATOM 1142 CD GLN A 77 6.781 1.719 -8.901 1.00 0.00 C ATOM 1143 OE1 GLN A 77 5.757 2.367 -9.122 1.00 0.00 O ATOM 1144 NE2 GLN A 77 7.633 1.378 -9.860 1.00 0.00 N ATOM 0 H GLN A 77 5.334 2.719 -3.853 1.00 0.00 H new ATOM 0 HA GLN A 77 7.086 0.615 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.230 1.585 -6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.257 3.004 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.175 1.494 -7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.018 0.185 -7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.469 0.841 -9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.451 1.653 -10.825 1.00 0.00 H new ATOM 1153 N ALA A 78 9.038 2.033 -4.444 1.00 0.00 N ATOM 1154 CA ALA A 78 10.200 2.829 -4.072 1.00 0.00 C ATOM 1155 C ALA A 78 11.066 3.139 -5.289 1.00 0.00 C ATOM 1156 O ALA A 78 11.246 2.293 -6.165 1.00 0.00 O ATOM 1157 CB ALA A 78 11.017 2.107 -3.011 1.00 0.00 C ATOM 0 H ALA A 78 9.228 1.037 -4.557 1.00 0.00 H new ATOM 0 HA ALA A 78 9.845 3.774 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.882 2.713 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.401 1.942 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.354 1.147 -3.402 1.00 0.00 H new ATOM 1163 N MET A 79 11.598 4.355 -5.337 1.00 0.00 N ATOM 1164 CA MET A 79 12.445 4.775 -6.447 1.00 0.00 C ATOM 1165 C MET A 79 13.902 4.402 -6.191 1.00 0.00 C ATOM 1166 O MET A 79 14.521 4.894 -5.247 1.00 0.00 O ATOM 1167 CB MET A 79 12.324 6.284 -6.667 1.00 0.00 C ATOM 1168 CG MET A 79 10.888 6.770 -6.768 1.00 0.00 C ATOM 1169 SD MET A 79 10.771 8.483 -7.321 1.00 0.00 S ATOM 1170 CE MET A 79 9.950 9.236 -5.918 1.00 0.00 C ATOM 0 H MET A 79 11.458 5.067 -4.620 1.00 0.00 H new ATOM 0 HA MET A 79 12.108 4.256 -7.344 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.818 6.803 -5.846 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.855 6.554 -7.580 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.340 6.131 -7.460 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.406 6.673 -5.795 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.462 10.158 -6.234 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.203 8.548 -5.521 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.684 9.461 -5.144 1.00 0.00 H new ATOM 1180 N TRP A 80 14.442 3.531 -7.035 1.00 0.00 N ATOM 1181 CA TRP A 80 15.827 3.092 -6.899 1.00 0.00 C ATOM 1182 C TRP A 80 16.656 3.526 -8.102 1.00 0.00 C ATOM 1183 O TRP A 80 16.609 2.898 -9.159 1.00 0.00 O ATOM 1184 CB TRP A 80 15.888 1.572 -6.742 1.00 0.00 C ATOM 1185 CG TRP A 80 15.696 1.112 -5.329 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.643 1.063 -4.347 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.481 0.634 -4.741 1.00 0.00 C ATOM 1188 NE1 TRP A 80 16.090 0.584 -3.184 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.765 0.314 -3.399 1.00 0.00 C ATOM 1190 CE3 TRP A 80 13.180 0.448 -5.218 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.796 -0.183 -2.532 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 12.220 -0.046 -4.355 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.531 -0.356 -3.025 1.00 0.00 C ATOM 0 H TRP A 80 13.943 3.114 -7.821 1.00 0.00 H new ATOM 0 HA TRP A 80 16.245 3.559 -6.007 1.00 0.00 H new ATOM 0 HB2 TRP A 80 15.122 1.118 -7.371 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.852 1.215 -7.105 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.675 1.357 -4.467 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.586 0.451 -2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.930 0.686 -6.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 14.034 -0.424 -1.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 11.212 -0.196 -4.713 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.758 -0.739 -2.376 1.00 0.00 H new ATOM 1204 N GLY A 81 17.417 4.604 -7.935 1.00 0.00 N ATOM 1205 CA GLY A 81 18.246 5.102 -9.016 1.00 0.00 C ATOM 1206 C GLY A 81 17.601 4.914 -10.375 1.00 0.00 C ATOM 1207 O GLY A 81 16.436 5.259 -10.569 1.00 0.00 O ATOM 0 H GLY A 81 17.474 5.141 -7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.448 6.161 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.207 4.588 -8.999 1.00 0.00 H new ATOM 1211 N GLN A 82 18.361 4.366 -11.318 1.00 0.00 N ATOM 1212 CA GLN A 82 17.857 4.136 -12.666 1.00 0.00 C ATOM 1213 C GLN A 82 17.049 2.844 -12.732 1.00 0.00 C ATOM 1214 O GLN A 82 17.172 2.071 -13.682 1.00 0.00 O ATOM 1215 CB GLN A 82 19.015 4.078 -13.664 1.00 0.00 C ATOM 1216 CG GLN A 82 19.706 5.416 -13.873 1.00 0.00 C ATOM 1217 CD GLN A 82 18.748 6.503 -14.320 1.00 0.00 C ATOM 1218 OE1 GLN A 82 18.141 6.411 -15.388 1.00 0.00 O ATOM 1219 NE2 GLN A 82 18.607 7.540 -13.503 1.00 0.00 N ATOM 0 H GLN A 82 19.327 4.073 -11.173 1.00 0.00 H new ATOM 0 HA GLN A 82 17.202 4.967 -12.928 1.00 0.00 H new ATOM 0 HB2 GLN A 82 19.748 3.351 -13.315 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.640 3.719 -14.622 1.00 0.00 H new ATOM 0 HG2 GLN A 82 20.188 5.721 -12.944 1.00 0.00 H new ATOM 0 HG3 GLN A 82 20.493 5.302 -14.618 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.130 7.575 -12.628 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.976 8.302 -13.750 1.00 0.00 H new ATOM 1228 N SER A 83 16.224 2.616 -11.715 1.00 0.00 N ATOM 1229 CA SER A 83 15.399 1.415 -11.655 1.00 0.00 C ATOM 1230 C SER A 83 14.202 1.624 -10.732 1.00 0.00 C ATOM 1231 O SER A 83 14.236 2.463 -9.831 1.00 0.00 O ATOM 1232 CB SER A 83 16.228 0.224 -11.172 1.00 0.00 C ATOM 1233 OG SER A 83 17.106 -0.232 -12.187 1.00 0.00 O ATOM 0 H SER A 83 16.109 3.247 -10.922 1.00 0.00 H new ATOM 0 HA SER A 83 15.030 1.207 -12.659 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.803 0.510 -10.291 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.564 -0.586 -10.870 1.00 0.00 H new ATOM 0 HG SER A 83 17.227 0.473 -12.856 1.00 0.00 H new ATOM 1239 N LEU A 84 13.144 0.854 -10.963 1.00 0.00 N ATOM 1240 CA LEU A 84 11.934 0.954 -10.153 1.00 0.00 C ATOM 1241 C LEU A 84 11.451 -0.428 -9.724 1.00 0.00 C ATOM 1242 O LEU A 84 10.530 -0.988 -10.320 1.00 0.00 O ATOM 1243 CB LEU A 84 10.832 1.673 -10.933 1.00 0.00 C ATOM 1244 CG LEU A 84 11.229 2.995 -11.591 1.00 0.00 C ATOM 1245 CD1 LEU A 84 10.138 3.467 -12.540 1.00 0.00 C ATOM 1246 CD2 LEU A 84 11.514 4.052 -10.535 1.00 0.00 C ATOM 0 H LEU A 84 13.099 0.154 -11.704 1.00 0.00 H new ATOM 0 HA LEU A 84 12.171 1.530 -9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.465 1.000 -11.708 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.000 1.863 -10.255 1.00 0.00 H new ATOM 0 HG LEU A 84 12.139 2.833 -12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.438 4.409 -12.999 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.982 2.718 -13.317 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.211 3.612 -11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.795 4.986 -11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.621 4.212 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.330 3.716 -9.895 1.00 0.00 H new ATOM 1258 N LEU A 85 12.077 -0.972 -8.686 1.00 0.00 N ATOM 1259 CA LEU A 85 11.709 -2.288 -8.175 1.00 0.00 C ATOM 1260 C LEU A 85 10.203 -2.508 -8.269 1.00 0.00 C ATOM 1261 O LEU A 85 9.411 -1.565 -8.243 1.00 0.00 O ATOM 1262 CB LEU A 85 12.169 -2.440 -6.724 1.00 0.00 C ATOM 1263 CG LEU A 85 13.669 -2.277 -6.474 1.00 0.00 C ATOM 1264 CD1 LEU A 85 14.009 -2.611 -5.030 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.467 -3.153 -7.429 1.00 0.00 C ATOM 0 H LEU A 85 12.841 -0.522 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 85 12.206 -3.040 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.638 -1.707 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.867 -3.426 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 85 13.938 -1.237 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.080 -2.489 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.465 -1.941 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.726 -3.642 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.532 -3.024 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 85 14.195 -4.198 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.246 -2.865 -8.457 1.00 0.00 H new ATOM 1277 N PRO A 86 9.796 -3.781 -8.379 1.00 0.00 N ATOM 1278 CA PRO A 86 8.381 -4.154 -8.476 1.00 0.00 C ATOM 1279 C PRO A 86 7.630 -3.924 -7.169 1.00 0.00 C ATOM 1280 O PRO A 86 7.892 -4.568 -6.153 1.00 0.00 O ATOM 1281 CB PRO A 86 8.431 -5.648 -8.809 1.00 0.00 C ATOM 1282 CG PRO A 86 9.738 -6.113 -8.267 1.00 0.00 C ATOM 1283 CD PRO A 86 10.685 -4.954 -8.417 1.00 0.00 C ATOM 0 HA PRO A 86 7.851 -3.555 -9.217 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.599 -6.184 -8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.366 -5.816 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.644 -6.408 -7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 86 10.099 -6.985 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.419 -4.928 -7.612 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.240 -5.007 -9.353 1.00 0.00 H new ATOM 1291 N PRO A 87 6.673 -2.985 -7.194 1.00 0.00 N ATOM 1292 CA PRO A 87 5.864 -2.649 -6.019 1.00 0.00 C ATOM 1293 C PRO A 87 4.895 -3.765 -5.644 1.00 0.00 C ATOM 1294 O PRO A 87 4.754 -4.749 -6.371 1.00 0.00 O ATOM 1295 CB PRO A 87 5.096 -1.401 -6.462 1.00 0.00 C ATOM 1296 CG PRO A 87 5.032 -1.503 -7.947 1.00 0.00 C ATOM 1297 CD PRO A 87 6.307 -2.178 -8.370 1.00 0.00 C ATOM 0 HA PRO A 87 6.478 -2.496 -5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.098 -1.374 -6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.607 -0.490 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.162 -2.080 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.943 -0.517 -8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.159 -2.799 -9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.083 -1.453 -8.617 1.00 0.00 H new ATOM 1305 N VAL A 88 4.228 -3.607 -4.505 1.00 0.00 N ATOM 1306 CA VAL A 88 3.271 -4.601 -4.034 1.00 0.00 C ATOM 1307 C VAL A 88 1.858 -4.032 -4.004 1.00 0.00 C ATOM 1308 O VAL A 88 1.625 -2.948 -3.470 1.00 0.00 O ATOM 1309 CB VAL A 88 3.638 -5.111 -2.627 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.850 -6.027 -2.690 1.00 0.00 C ATOM 1311 CG2 VAL A 88 3.890 -3.942 -1.687 1.00 0.00 C ATOM 0 H VAL A 88 4.333 -2.799 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 88 3.309 -5.434 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 88 2.799 -5.687 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.094 -6.377 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.627 -6.882 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.699 -5.480 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.148 -4.320 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.712 -3.338 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.991 -3.330 -1.619 1.00 0.00 H new ATOM 1321 N SER A 89 0.916 -4.771 -4.582 1.00 0.00 N ATOM 1322 CA SER A 89 -0.476 -4.338 -4.625 1.00 0.00 C ATOM 1323 C SER A 89 -1.350 -5.232 -3.750 1.00 0.00 C ATOM 1324 O SER A 89 -1.331 -6.457 -3.877 1.00 0.00 O ATOM 1325 CB SER A 89 -0.993 -4.354 -6.065 1.00 0.00 C ATOM 1326 OG SER A 89 -0.838 -5.635 -6.649 1.00 0.00 O ATOM 0 H SER A 89 1.091 -5.672 -5.027 1.00 0.00 H new ATOM 0 HA SER A 89 -0.526 -3.320 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.045 -4.069 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.454 -3.614 -6.656 1.00 0.00 H new ATOM 0 HG SER A 89 -0.910 -6.322 -5.954 1.00 0.00 H new ATOM 1332 N THR A 90 -2.117 -4.610 -2.860 1.00 0.00 N ATOM 1333 CA THR A 90 -2.997 -5.347 -1.962 1.00 0.00 C ATOM 1334 C THR A 90 -4.366 -4.684 -1.868 1.00 0.00 C ATOM 1335 O THR A 90 -4.519 -3.504 -2.186 1.00 0.00 O ATOM 1336 CB THR A 90 -2.394 -5.456 -0.548 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.047 -6.499 0.184 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.531 -4.140 0.202 1.00 0.00 C ATOM 0 H THR A 90 -2.146 -3.597 -2.742 1.00 0.00 H new ATOM 0 HA THR A 90 -3.108 -6.348 -2.380 1.00 0.00 H new ATOM 0 HB THR A 90 -1.334 -5.691 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.657 -6.563 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.098 -4.242 1.197 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.007 -3.354 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.586 -3.879 0.290 1.00 0.00 H new ATOM 1346 N SER A 91 -5.360 -5.449 -1.428 1.00 0.00 N ATOM 1347 CA SER A 91 -6.719 -4.935 -1.294 1.00 0.00 C ATOM 1348 C SER A 91 -7.192 -5.021 0.153 1.00 0.00 C ATOM 1349 O SER A 91 -6.818 -5.935 0.888 1.00 0.00 O ATOM 1350 CB SER A 91 -7.672 -5.715 -2.202 1.00 0.00 C ATOM 1351 OG SER A 91 -7.864 -7.036 -1.726 1.00 0.00 O ATOM 0 H SER A 91 -5.250 -6.427 -1.158 1.00 0.00 H new ATOM 0 HA SER A 91 -6.717 -3.887 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.632 -5.201 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.271 -5.745 -3.215 1.00 0.00 H new ATOM 0 HG SER A 91 -8.478 -7.513 -2.323 1.00 0.00 H new ATOM 1357 N PHE A 92 -8.018 -4.061 0.557 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.543 -4.026 1.917 1.00 0.00 C ATOM 1359 C PHE A 92 -9.892 -3.314 1.961 1.00 0.00 C ATOM 1360 O PHE A 92 -10.090 -2.291 1.304 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.554 -3.326 2.850 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.379 -1.865 2.551 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.509 -1.447 1.556 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -8.083 -0.908 3.264 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.346 -0.103 1.278 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.925 0.437 2.990 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.054 0.840 1.997 1.00 0.00 C ATOM 0 H PHE A 92 -8.338 -3.297 -0.038 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.683 -5.054 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.895 -3.440 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.586 -3.822 2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.952 -2.180 0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.764 -1.217 4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.666 0.209 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.482 1.172 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.927 1.891 1.783 1.00 0.00 H new ATOM 1377 N THR A 93 -10.819 -3.864 2.739 1.00 0.00 N ATOM 1378 CA THR A 93 -12.150 -3.284 2.869 1.00 0.00 C ATOM 1379 C THR A 93 -12.278 -2.484 4.160 1.00 0.00 C ATOM 1380 O THR A 93 -11.860 -2.936 5.227 1.00 0.00 O ATOM 1381 CB THR A 93 -13.242 -4.370 2.841 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.042 -5.237 1.718 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.626 -3.745 2.765 1.00 0.00 C ATOM 0 H THR A 93 -10.672 -4.711 3.289 1.00 0.00 H new ATOM 0 HA THR A 93 -12.288 -2.618 2.017 1.00 0.00 H new ATOM 0 HB THR A 93 -13.172 -4.948 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.739 -5.926 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.380 -4.532 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.786 -3.109 3.636 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.705 -3.145 1.858 1.00 0.00 H new ATOM 1391 N THR A 94 -12.860 -1.293 4.058 1.00 0.00 N ATOM 1392 CA THR A 94 -13.043 -0.430 5.218 1.00 0.00 C ATOM 1393 C THR A 94 -14.280 -0.831 6.013 1.00 0.00 C ATOM 1394 O THR A 94 -15.142 -1.555 5.515 1.00 0.00 O ATOM 1395 CB THR A 94 -13.170 1.048 4.804 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.151 1.185 3.770 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.835 1.591 4.318 1.00 0.00 C ATOM 0 H THR A 94 -13.213 -0.904 3.183 1.00 0.00 H new ATOM 0 HA THR A 94 -12.158 -0.550 5.843 1.00 0.00 H new ATOM 0 HB THR A 94 -13.481 1.621 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.083 2.078 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.950 2.636 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.098 1.513 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.499 1.013 3.457 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.363 -0.356 7.252 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.500 -0.676 8.095 1.00 0.00 C ATOM 1407 C GLY A 95 -16.736 0.121 7.729 1.00 0.00 C ATOM 1408 O GLY A 95 -16.741 0.851 6.739 1.00 0.00 O ATOM 0 H GLY A 95 -13.663 0.245 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.721 -1.740 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.242 -0.483 9.136 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.788 -0.021 8.529 1.00 0.00 N ATOM 1413 CA GLY A 96 -19.022 0.697 8.266 1.00 0.00 C ATOM 1414 C GLY A 96 -19.319 1.744 9.320 1.00 0.00 C ATOM 1415 O GLY A 96 -18.735 1.728 10.405 1.00 0.00 O ATOM 0 H GLY A 96 -17.808 -0.620 9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.958 1.177 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.849 -0.012 8.220 1.00 0.00 H new ATOM 1419 N LEU A 97 -20.229 2.659 9.003 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.602 3.721 9.931 1.00 0.00 C ATOM 1421 C LEU A 97 -21.674 3.241 10.905 1.00 0.00 C ATOM 1422 O LEU A 97 -22.852 3.565 10.755 1.00 0.00 O ATOM 1423 CB LEU A 97 -21.106 4.943 9.162 1.00 0.00 C ATOM 1424 CG LEU A 97 -20.047 5.739 8.398 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.704 6.783 7.507 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -19.075 6.398 9.365 1.00 0.00 C ATOM 0 H LEU A 97 -20.722 2.687 8.110 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.716 3.999 10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.866 4.613 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -21.597 5.614 9.867 1.00 0.00 H new ATOM 0 HG LEU A 97 -19.488 5.050 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.935 7.340 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -21.360 6.289 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -21.288 7.469 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -18.328 6.960 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -19.619 7.075 10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.580 5.632 9.961 1.00 0.00 H new