USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 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 74 SER OG : rot 140:sc= -1.02 USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= 0.137 F(o=-2.4!,f=-0.88) USER MOD Set 2.1: A 38 LYS NZ :NH3+ 174:sc= 0.00437 (180deg=0) USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0.00518 USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.569) USER MOD Single : A 15 HIS : no HE2:sc= -4.57 K(o=-4.6,f=-6.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 140:sc= -1.06 (180deg=-2.73!) USER MOD Single : A 48 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-4.9!) USER MOD Single : A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 THR OG1 : rot 28:sc= 0.765 USER MOD Single : A 51 ASN : amide:sc= -1.5! C(o=-1.5!,f=-4.2!) USER MOD Single : A 52 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1.5) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -27:sc= 0.754 USER MOD Single : A 61 GLN :FLIP amide:sc= -2.11! C(o=-4.2!,f=-2.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -125:sc= -3.93! (180deg=-6.31!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.445 12.853 -9.952 1.00 0.00 N ATOM 67 CA ASP A 8 -0.826 11.730 -9.258 1.00 0.00 C ATOM 68 C ASP A 8 -1.729 11.217 -8.141 1.00 0.00 C ATOM 69 O ASP A 8 -2.641 11.915 -7.696 1.00 0.00 O ATOM 70 CB ASP A 8 0.531 12.142 -8.686 1.00 0.00 C ATOM 71 CG ASP A 8 1.349 12.960 -9.666 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.198 12.747 -10.887 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.141 13.813 -9.212 1.00 0.00 O ATOM 0 HA ASP A 8 -0.678 10.926 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.377 12.720 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.090 11.249 -8.407 1.00 0.00 H new ATOM 78 N VAL A 9 -1.470 9.993 -7.692 1.00 0.00 N ATOM 79 CA VAL A 9 -2.259 9.387 -6.627 1.00 0.00 C ATOM 80 C VAL A 9 -1.546 9.496 -5.284 1.00 0.00 C ATOM 81 O VAL A 9 -0.525 8.846 -5.057 1.00 0.00 O ATOM 82 CB VAL A 9 -2.552 7.903 -6.921 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.333 7.276 -5.775 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.308 7.760 -8.233 1.00 0.00 C ATOM 0 H VAL A 9 -0.720 9.402 -8.050 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.201 9.934 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.603 7.374 -7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.531 6.228 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.750 7.346 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.278 7.804 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.507 6.706 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.252 8.302 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.708 8.170 -9.045 1.00 0.00 H new ATOM 94 N ARG A 10 -2.090 10.322 -4.397 1.00 0.00 N ATOM 95 CA ARG A 10 -1.506 10.517 -3.075 1.00 0.00 C ATOM 96 C ARG A 10 -1.684 9.272 -2.212 1.00 0.00 C ATOM 97 O ARG A 10 -2.806 8.896 -1.870 1.00 0.00 O ATOM 98 CB ARG A 10 -2.143 11.725 -2.386 1.00 0.00 C ATOM 99 CG ARG A 10 -1.259 12.355 -1.322 1.00 0.00 C ATOM 100 CD ARG A 10 -2.033 13.355 -0.476 1.00 0.00 C ATOM 101 NE ARG A 10 -2.102 14.669 -1.109 1.00 0.00 N ATOM 102 CZ ARG A 10 -2.301 15.798 -0.438 1.00 0.00 C ATOM 103 NH1 ARG A 10 -2.447 15.773 0.880 1.00 0.00 N ATOM 104 NH2 ARG A 10 -2.352 16.956 -1.084 1.00 0.00 N ATOM 0 H ARG A 10 -2.935 10.867 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.439 10.700 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.384 12.476 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.084 11.418 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.848 11.576 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.415 12.855 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.043 12.981 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.558 13.448 0.501 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.991 14.723 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.407 14.885 1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.600 16.641 1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.238 16.980 -2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.505 17.822 -0.567 1.00 0.00 H new ATOM 118 N VAL A 11 -0.571 8.635 -1.863 1.00 0.00 N ATOM 119 CA VAL A 11 -0.604 7.433 -1.040 1.00 0.00 C ATOM 120 C VAL A 11 0.158 7.638 0.265 1.00 0.00 C ATOM 121 O VAL A 11 1.324 8.036 0.260 1.00 0.00 O ATOM 122 CB VAL A 11 -0.006 6.225 -1.786 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.005 4.996 -0.890 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.781 5.954 -3.067 1.00 0.00 C ATOM 0 H VAL A 11 0.365 8.932 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.652 7.231 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 11 1.024 6.459 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.431 4.153 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.607 5.197 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.015 4.756 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.345 5.098 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.822 5.740 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.732 6.830 -3.714 1.00 0.00 H new ATOM 134 N LYS A 12 -0.507 7.365 1.382 1.00 0.00 N ATOM 135 CA LYS A 12 0.107 7.517 2.695 1.00 0.00 C ATOM 136 C LYS A 12 0.454 6.159 3.295 1.00 0.00 C ATOM 137 O LYS A 12 -0.339 5.219 3.229 1.00 0.00 O ATOM 138 CB LYS A 12 -0.832 8.277 3.635 1.00 0.00 C ATOM 139 CG LYS A 12 -0.127 8.900 4.827 1.00 0.00 C ATOM 140 CD LYS A 12 -1.039 8.972 6.040 1.00 0.00 C ATOM 141 CE LYS A 12 -2.061 10.091 5.903 1.00 0.00 C ATOM 142 NZ LYS A 12 -1.509 11.402 6.343 1.00 0.00 N ATOM 0 H LYS A 12 -1.473 7.037 1.404 1.00 0.00 H new ATOM 0 HA LYS A 12 1.029 8.086 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.339 9.061 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.602 7.595 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.760 8.316 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.213 9.902 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.555 8.020 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.441 9.132 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.384 10.163 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.944 9.851 6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.011 12.171 5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.633 11.504 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.496 11.448 6.110 1.00 0.00 H new ATOM 156 N PHE A 13 1.642 6.062 3.883 1.00 0.00 N ATOM 157 CA PHE A 13 2.093 4.818 4.495 1.00 0.00 C ATOM 158 C PHE A 13 2.098 4.931 6.017 1.00 0.00 C ATOM 159 O PHE A 13 2.187 6.028 6.567 1.00 0.00 O ATOM 160 CB PHE A 13 3.493 4.456 3.995 1.00 0.00 C ATOM 161 CG PHE A 13 3.510 3.934 2.587 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.698 2.873 2.218 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.337 4.503 1.632 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.712 2.390 0.923 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.355 4.025 0.335 1.00 0.00 C ATOM 166 CZ PHE A 13 3.541 2.967 -0.020 1.00 0.00 C ATOM 0 H PHE A 13 2.310 6.830 3.948 1.00 0.00 H new ATOM 0 HA PHE A 13 1.397 4.029 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.131 5.338 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.924 3.705 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.047 2.419 2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.976 5.330 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.075 1.562 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.004 4.478 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.552 2.592 -1.033 1.00 0.00 H new ATOM 176 N GLU A 14 2.002 3.789 6.690 1.00 0.00 N ATOM 177 CA GLU A 14 1.994 3.761 8.148 1.00 0.00 C ATOM 178 C GLU A 14 2.687 2.506 8.671 1.00 0.00 C ATOM 179 O GLU A 14 2.359 1.389 8.270 1.00 0.00 O ATOM 180 CB GLU A 14 0.559 3.821 8.674 1.00 0.00 C ATOM 181 CG GLU A 14 -0.027 5.223 8.687 1.00 0.00 C ATOM 182 CD GLU A 14 -1.543 5.222 8.676 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.140 4.265 9.210 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.132 6.181 8.134 1.00 0.00 O ATOM 0 H GLU A 14 1.929 2.872 6.250 1.00 0.00 H new ATOM 0 HA GLU A 14 2.541 4.634 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.071 3.179 8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.535 3.417 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.326 5.752 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.338 5.773 7.820 1.00 0.00 H new ATOM 191 N HIS A 15 3.648 2.698 9.569 1.00 0.00 N ATOM 192 CA HIS A 15 4.388 1.583 10.148 1.00 0.00 C ATOM 193 C HIS A 15 4.943 1.953 11.520 1.00 0.00 C ATOM 194 O HIS A 15 5.764 2.862 11.644 1.00 0.00 O ATOM 195 CB HIS A 15 5.528 1.163 9.220 1.00 0.00 C ATOM 196 CG HIS A 15 5.932 -0.271 9.378 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.981 -0.909 10.600 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.307 -1.192 8.459 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.369 -2.159 10.426 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.573 -2.357 9.136 1.00 0.00 N ATOM 0 H HIS A 15 3.932 3.616 9.911 1.00 0.00 H new ATOM 0 HA HIS A 15 3.700 0.746 10.268 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.227 1.335 8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.393 1.799 9.410 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.753 -0.482 11.498 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.383 -1.039 7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.498 -2.895 11.206 1.00 0.00 H new ATOM 209 N ARG A 16 4.490 1.243 12.548 1.00 0.00 N ATOM 210 CA ARG A 16 4.940 1.498 13.911 1.00 0.00 C ATOM 211 C ARG A 16 4.960 2.995 14.205 1.00 0.00 C ATOM 212 O ARG A 16 5.860 3.494 14.879 1.00 0.00 O ATOM 213 CB ARG A 16 6.333 0.906 14.130 1.00 0.00 C ATOM 214 CG ARG A 16 6.335 -0.607 14.281 1.00 0.00 C ATOM 215 CD ARG A 16 7.713 -1.128 14.657 1.00 0.00 C ATOM 216 NE ARG A 16 8.045 -0.843 16.050 1.00 0.00 N ATOM 217 CZ ARG A 16 9.289 -0.758 16.507 1.00 0.00 C ATOM 218 NH1 ARG A 16 10.314 -0.936 15.685 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.511 -0.495 17.788 1.00 0.00 N ATOM 0 H ARG A 16 3.811 0.486 12.463 1.00 0.00 H new ATOM 0 HA ARG A 16 4.238 1.020 14.594 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.971 1.180 13.290 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.772 1.352 15.022 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.614 -0.898 15.045 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.013 -1.067 13.347 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.752 -2.204 14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.461 -0.676 14.006 1.00 0.00 H new ATOM 0 HE ARG A 16 7.279 -0.701 16.709 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.148 -1.139 14.699 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.269 -0.870 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.725 -0.358 18.424 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.467 -0.430 18.137 1.00 0.00 H new ATOM 233 N GLY A 17 3.960 3.707 13.694 1.00 0.00 N ATOM 234 CA GLY A 17 3.883 5.140 13.912 1.00 0.00 C ATOM 235 C GLY A 17 4.470 5.934 12.762 1.00 0.00 C ATOM 236 O GLY A 17 4.005 7.032 12.457 1.00 0.00 O ATOM 0 H GLY A 17 3.202 3.317 13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.841 5.427 14.053 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.411 5.393 14.831 1.00 0.00 H new ATOM 240 N GLU A 18 5.496 5.379 12.125 1.00 0.00 N ATOM 241 CA GLU A 18 6.149 6.045 11.004 1.00 0.00 C ATOM 242 C GLU A 18 5.174 6.246 9.848 1.00 0.00 C ATOM 243 O GLU A 18 4.412 5.344 9.499 1.00 0.00 O ATOM 244 CB GLU A 18 7.357 5.233 10.533 1.00 0.00 C ATOM 245 CG GLU A 18 8.427 5.059 11.597 1.00 0.00 C ATOM 246 CD GLU A 18 9.632 4.290 11.093 1.00 0.00 C ATOM 247 OE1 GLU A 18 9.594 3.042 11.123 1.00 0.00 O ATOM 248 OE2 GLU A 18 10.614 4.936 10.668 1.00 0.00 O ATOM 0 H GLU A 18 5.893 4.471 12.366 1.00 0.00 H new ATOM 0 HA GLU A 18 6.489 7.023 11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.018 4.250 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.797 5.723 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.748 6.040 11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.000 4.538 12.454 1.00 0.00 H new ATOM 255 N LYS A 19 5.203 7.436 9.257 1.00 0.00 N ATOM 256 CA LYS A 19 4.324 7.757 8.139 1.00 0.00 C ATOM 257 C LYS A 19 5.104 8.410 7.003 1.00 0.00 C ATOM 258 O LYS A 19 6.022 9.195 7.239 1.00 0.00 O ATOM 259 CB LYS A 19 3.198 8.686 8.599 1.00 0.00 C ATOM 260 CG LYS A 19 2.397 8.139 9.768 1.00 0.00 C ATOM 261 CD LYS A 19 1.839 9.257 10.633 1.00 0.00 C ATOM 262 CE LYS A 19 2.928 9.913 11.467 1.00 0.00 C ATOM 263 NZ LYS A 19 2.410 11.077 12.238 1.00 0.00 N ATOM 0 H LYS A 19 5.826 8.194 9.534 1.00 0.00 H new ATOM 0 HA LYS A 19 3.892 6.827 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.625 9.649 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.524 8.869 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.578 7.524 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.031 7.491 10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.364 10.006 9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.066 8.859 11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.350 9.180 12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.737 10.241 10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.182 11.497 12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.030 11.788 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.655 10.760 12.879 1.00 0.00 H new ATOM 277 N ARG A 20 4.732 8.081 5.770 1.00 0.00 N ATOM 278 CA ARG A 20 5.398 8.636 4.597 1.00 0.00 C ATOM 279 C ARG A 20 4.466 8.629 3.389 1.00 0.00 C ATOM 280 O ARG A 20 3.992 7.575 2.965 1.00 0.00 O ATOM 281 CB ARG A 20 6.666 7.842 4.281 1.00 0.00 C ATOM 282 CG ARG A 20 7.914 8.396 4.950 1.00 0.00 C ATOM 283 CD ARG A 20 8.302 9.748 4.373 1.00 0.00 C ATOM 284 NE ARG A 20 9.227 9.620 3.250 1.00 0.00 N ATOM 285 CZ ARG A 20 9.968 10.621 2.790 1.00 0.00 C ATOM 286 NH1 ARG A 20 9.893 11.819 3.354 1.00 0.00 N ATOM 287 NH2 ARG A 20 10.786 10.426 1.764 1.00 0.00 N ATOM 0 H ARG A 20 3.973 7.433 5.557 1.00 0.00 H new ATOM 0 HA ARG A 20 5.670 9.668 4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.525 6.808 4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.817 7.830 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.741 8.493 6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.738 7.695 4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.405 10.273 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.761 10.356 5.152 1.00 0.00 H new ATOM 0 HE ARG A 20 9.308 8.711 2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.265 11.973 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.463 12.586 2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.846 9.506 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.355 11.196 1.412 1.00 0.00 H new ATOM 301 N ILE A 21 4.208 9.812 2.841 1.00 0.00 N ATOM 302 CA ILE A 21 3.334 9.941 1.682 1.00 0.00 C ATOM 303 C ILE A 21 4.140 9.992 0.388 1.00 0.00 C ATOM 304 O ILE A 21 5.254 10.516 0.358 1.00 0.00 O ATOM 305 CB ILE A 21 2.456 11.203 1.777 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.515 11.107 2.979 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.665 11.396 0.492 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.007 12.450 3.457 1.00 0.00 C ATOM 0 H ILE A 21 4.592 10.694 3.181 1.00 0.00 H new ATOM 0 HA ILE A 21 2.691 9.061 1.672 1.00 0.00 H new ATOM 0 HB ILE A 21 3.104 12.069 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.664 10.479 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.035 10.611 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.049 12.292 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.353 11.505 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.025 10.530 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.346 12.306 4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.851 13.074 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.458 12.939 2.652 1.00 0.00 H new ATOM 320 N LEU A 22 3.569 9.445 -0.680 1.00 0.00 N ATOM 321 CA LEU A 22 4.233 9.430 -1.978 1.00 0.00 C ATOM 322 C LEU A 22 3.293 9.916 -3.077 1.00 0.00 C ATOM 323 O LEU A 22 2.138 10.251 -2.814 1.00 0.00 O ATOM 324 CB LEU A 22 4.728 8.019 -2.303 1.00 0.00 C ATOM 325 CG LEU A 22 5.885 7.501 -1.448 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.080 8.437 -1.543 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.447 7.338 0.000 1.00 0.00 C ATOM 0 H LEU A 22 2.648 9.006 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 22 5.086 10.107 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.890 7.329 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.036 7.995 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 22 6.183 6.524 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.893 8.052 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.409 8.503 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.795 9.428 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.283 6.969 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.121 8.301 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.622 6.627 0.053 1.00 0.00 H new ATOM 339 N GLN A 23 3.796 9.950 -4.307 1.00 0.00 N ATOM 340 CA GLN A 23 3.000 10.394 -5.445 1.00 0.00 C ATOM 341 C GLN A 23 3.250 9.509 -6.662 1.00 0.00 C ATOM 342 O GLN A 23 4.348 9.498 -7.219 1.00 0.00 O ATOM 343 CB GLN A 23 3.322 11.850 -5.783 1.00 0.00 C ATOM 344 CG GLN A 23 2.705 12.850 -4.818 1.00 0.00 C ATOM 345 CD GLN A 23 2.833 14.281 -5.300 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.778 14.627 -6.011 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.882 15.124 -4.914 1.00 0.00 N ATOM 0 H GLN A 23 4.750 9.676 -4.541 1.00 0.00 H new ATOM 0 HA GLN A 23 1.947 10.317 -5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.404 11.982 -5.788 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.970 12.066 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.651 12.611 -4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.186 12.754 -3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.117 14.795 -4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.917 16.101 -5.207 1.00 0.00 H new ATOM 356 N PHE A 24 2.224 8.769 -7.070 1.00 0.00 N ATOM 357 CA PHE A 24 2.333 7.880 -8.221 1.00 0.00 C ATOM 358 C PHE A 24 1.406 8.331 -9.346 1.00 0.00 C ATOM 359 O PHE A 24 0.182 8.254 -9.245 1.00 0.00 O ATOM 360 CB PHE A 24 2.000 6.443 -7.815 1.00 0.00 C ATOM 361 CG PHE A 24 2.832 5.934 -6.673 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.480 6.217 -5.363 1.00 0.00 C ATOM 363 CD2 PHE A 24 3.965 5.173 -6.909 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.244 5.751 -4.310 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.733 4.704 -5.860 1.00 0.00 C ATOM 366 CZ PHE A 24 4.371 4.992 -4.558 1.00 0.00 C ATOM 0 H PHE A 24 1.308 8.767 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 24 3.360 7.919 -8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.947 6.387 -7.540 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.140 5.789 -8.676 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.599 6.808 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.252 4.943 -7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.960 5.980 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.615 4.113 -6.058 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.968 4.625 -3.736 1.00 0.00 H new ATOM 376 N PRO A 25 2.003 8.815 -10.446 1.00 0.00 N ATOM 377 CA PRO A 25 1.251 9.288 -11.612 1.00 0.00 C ATOM 378 C PRO A 25 0.570 8.149 -12.363 1.00 0.00 C ATOM 379 O PRO A 25 1.233 7.257 -12.891 1.00 0.00 O ATOM 380 CB PRO A 25 2.325 9.938 -12.487 1.00 0.00 C ATOM 381 CG PRO A 25 3.593 9.259 -12.098 1.00 0.00 C ATOM 382 CD PRO A 25 3.458 8.936 -10.636 1.00 0.00 C ATOM 0 HA PRO A 25 0.445 9.965 -11.330 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.110 9.799 -13.546 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.381 11.012 -12.312 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.747 8.354 -12.685 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.452 9.905 -12.277 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.975 8.011 -10.379 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.881 9.722 -10.010 1.00 0.00 H new ATOM 390 N ARG A 26 -0.758 8.187 -12.407 1.00 0.00 N ATOM 391 CA ARG A 26 -1.529 7.157 -13.094 1.00 0.00 C ATOM 392 C ARG A 26 -1.055 6.993 -14.535 1.00 0.00 C ATOM 393 O ARG A 26 -0.628 7.946 -15.186 1.00 0.00 O ATOM 394 CB ARG A 26 -3.019 7.506 -13.073 1.00 0.00 C ATOM 395 CG ARG A 26 -3.700 7.189 -11.751 1.00 0.00 C ATOM 396 CD ARG A 26 -5.165 7.594 -11.769 1.00 0.00 C ATOM 397 NE ARG A 26 -5.358 8.973 -11.328 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.407 9.714 -11.668 1.00 0.00 C ATOM 399 NH1 ARG A 26 -7.354 9.210 -12.448 1.00 0.00 N ATOM 400 NH2 ARG A 26 -6.511 10.961 -11.227 1.00 0.00 N ATOM 0 H ARG A 26 -1.322 8.919 -11.976 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.376 6.214 -12.570 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.138 8.568 -13.288 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.523 6.961 -13.871 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.619 6.122 -11.545 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.187 7.709 -10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.561 7.478 -12.778 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.734 6.924 -11.124 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.648 9.390 -10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.278 8.251 -12.788 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.158 9.781 -12.708 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.785 11.352 -10.626 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.317 11.529 -11.489 1.00 0.00 H new ATOM 414 N PRO A 27 -1.129 5.754 -15.045 1.00 0.00 N ATOM 415 CA PRO A 27 -1.634 4.612 -14.278 1.00 0.00 C ATOM 416 C PRO A 27 -0.685 4.199 -13.159 1.00 0.00 C ATOM 417 O PRO A 27 0.528 4.126 -13.356 1.00 0.00 O ATOM 418 CB PRO A 27 -1.740 3.501 -15.326 1.00 0.00 C ATOM 419 CG PRO A 27 -0.747 3.871 -16.373 1.00 0.00 C ATOM 420 CD PRO A 27 -0.725 5.375 -16.409 1.00 0.00 C ATOM 0 HA PRO A 27 -2.577 4.840 -13.781 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.515 2.526 -14.894 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.747 3.441 -15.739 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.239 3.472 -16.135 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.031 3.461 -17.342 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.266 5.757 -16.655 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.414 5.769 -17.156 1.00 0.00 H new ATOM 428 N VAL A 28 -1.244 3.930 -11.983 1.00 0.00 N ATOM 429 CA VAL A 28 -0.447 3.523 -10.832 1.00 0.00 C ATOM 430 C VAL A 28 -0.029 2.061 -10.942 1.00 0.00 C ATOM 431 O VAL A 28 -0.829 1.202 -11.314 1.00 0.00 O ATOM 432 CB VAL A 28 -1.218 3.728 -9.515 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.374 3.288 -8.328 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.644 5.181 -9.367 1.00 0.00 C ATOM 0 H VAL A 28 -2.246 3.987 -11.803 1.00 0.00 H new ATOM 0 HA VAL A 28 0.443 4.152 -10.825 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.116 3.111 -9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.935 3.440 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.124 2.232 -8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.543 3.876 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.188 5.307 -8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.761 5.820 -9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.289 5.458 -10.201 1.00 0.00 H new ATOM 444 N LYS A 29 1.228 1.785 -10.616 1.00 0.00 N ATOM 445 CA LYS A 29 1.754 0.426 -10.675 1.00 0.00 C ATOM 446 C LYS A 29 2.019 -0.117 -9.275 1.00 0.00 C ATOM 447 O LYS A 29 2.737 0.498 -8.485 1.00 0.00 O ATOM 448 CB LYS A 29 3.043 0.391 -11.500 1.00 0.00 C ATOM 449 CG LYS A 29 2.852 0.818 -12.945 1.00 0.00 C ATOM 450 CD LYS A 29 2.258 -0.301 -13.784 1.00 0.00 C ATOM 451 CE LYS A 29 1.469 0.245 -14.964 1.00 0.00 C ATOM 452 NZ LYS A 29 2.362 0.790 -16.023 1.00 0.00 N ATOM 0 H LYS A 29 1.903 2.485 -10.308 1.00 0.00 H new ATOM 0 HA LYS A 29 1.006 -0.205 -11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.782 1.042 -11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.450 -0.620 -11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.198 1.689 -12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.811 1.120 -13.366 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.057 -0.948 -14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.607 -0.916 -13.163 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.849 -0.547 -15.384 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.795 1.029 -14.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.786 1.152 -16.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.936 1.563 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.988 0.036 -16.371 1.00 0.00 H new ATOM 466 N LEU A 30 1.437 -1.272 -8.973 1.00 0.00 N ATOM 467 CA LEU A 30 1.612 -1.899 -7.667 1.00 0.00 C ATOM 468 C LEU A 30 3.088 -1.959 -7.285 1.00 0.00 C ATOM 469 O LEU A 30 3.471 -1.554 -6.189 1.00 0.00 O ATOM 470 CB LEU A 30 1.017 -3.308 -7.672 1.00 0.00 C ATOM 471 CG LEU A 30 1.266 -4.146 -6.418 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.564 -3.531 -5.217 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.801 -5.579 -6.633 1.00 0.00 C ATOM 0 H LEU A 30 0.840 -1.794 -9.614 1.00 0.00 H new ATOM 0 HA LEU A 30 1.089 -1.293 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.060 -3.226 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.418 -3.847 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 30 2.338 -4.159 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.752 -4.141 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.944 -2.523 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.509 -3.487 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.986 -6.161 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.266 -5.586 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.349 -6.018 -7.466 1.00 0.00 H new ATOM 485 N GLU A 31 3.910 -2.465 -8.199 1.00 0.00 N ATOM 486 CA GLU A 31 5.344 -2.577 -7.957 1.00 0.00 C ATOM 487 C GLU A 31 5.923 -1.243 -7.494 1.00 0.00 C ATOM 488 O GLU A 31 6.782 -1.199 -6.613 1.00 0.00 O ATOM 489 CB GLU A 31 6.063 -3.044 -9.225 1.00 0.00 C ATOM 490 CG GLU A 31 6.368 -1.920 -10.201 1.00 0.00 C ATOM 491 CD GLU A 31 6.612 -2.423 -11.611 1.00 0.00 C ATOM 492 OE1 GLU A 31 7.749 -2.853 -11.898 1.00 0.00 O ATOM 493 OE2 GLU A 31 5.667 -2.385 -12.427 1.00 0.00 O ATOM 0 H GLU A 31 3.608 -2.803 -9.113 1.00 0.00 H new ATOM 0 HA GLU A 31 5.497 -3.314 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.996 -3.533 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.449 -3.792 -9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.537 -1.215 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.246 -1.373 -9.857 1.00 0.00 H new ATOM 500 N ASP A 32 5.446 -0.158 -8.094 1.00 0.00 N ATOM 501 CA ASP A 32 5.914 1.178 -7.744 1.00 0.00 C ATOM 502 C ASP A 32 5.652 1.477 -6.271 1.00 0.00 C ATOM 503 O ASP A 32 6.561 1.859 -5.532 1.00 0.00 O ATOM 504 CB ASP A 32 5.229 2.228 -8.620 1.00 0.00 C ATOM 505 CG ASP A 32 6.063 3.485 -8.775 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.947 3.720 -7.925 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.831 4.234 -9.747 1.00 0.00 O ATOM 0 H ASP A 32 4.735 -0.178 -8.825 1.00 0.00 H new ATOM 0 HA ASP A 32 6.989 1.216 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.031 1.803 -9.604 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.264 2.487 -8.185 1.00 0.00 H new ATOM 512 N LEU A 33 4.404 1.302 -5.850 1.00 0.00 N ATOM 513 CA LEU A 33 4.022 1.553 -4.465 1.00 0.00 C ATOM 514 C LEU A 33 4.980 0.861 -3.501 1.00 0.00 C ATOM 515 O LEU A 33 5.457 1.468 -2.542 1.00 0.00 O ATOM 516 CB LEU A 33 2.592 1.071 -4.215 1.00 0.00 C ATOM 517 CG LEU A 33 1.477 2.011 -4.675 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.203 1.230 -4.959 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.222 3.088 -3.631 1.00 0.00 C ATOM 0 H LEU A 33 3.640 0.987 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 33 4.073 2.627 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.461 0.112 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.472 0.892 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 33 1.795 2.496 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.579 1.916 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.393 0.497 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.119 0.717 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.426 3.747 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.926 2.621 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.132 3.668 -3.477 1.00 0.00 H new ATOM 531 N ARG A 34 5.258 -0.412 -3.763 1.00 0.00 N ATOM 532 CA ARG A 34 6.160 -1.186 -2.919 1.00 0.00 C ATOM 533 C ARG A 34 7.579 -0.629 -2.985 1.00 0.00 C ATOM 534 O ARG A 34 8.185 -0.324 -1.958 1.00 0.00 O ATOM 535 CB ARG A 34 6.157 -2.655 -3.346 1.00 0.00 C ATOM 536 CG ARG A 34 4.779 -3.296 -3.314 1.00 0.00 C ATOM 537 CD ARG A 34 4.843 -4.773 -3.671 1.00 0.00 C ATOM 538 NE ARG A 34 5.136 -5.605 -2.508 1.00 0.00 N ATOM 539 CZ ARG A 34 4.208 -6.036 -1.660 1.00 0.00 C ATOM 540 NH1 ARG A 34 2.935 -5.714 -1.845 1.00 0.00 N ATOM 541 NH2 ARG A 34 4.553 -6.790 -0.624 1.00 0.00 N ATOM 0 H ARG A 34 4.872 -0.929 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 34 5.807 -1.113 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.561 -2.732 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.825 -3.216 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.345 -3.179 -2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.120 -2.780 -4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.893 -5.082 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.609 -4.929 -4.431 1.00 0.00 H new ATOM 0 HE ARG A 34 6.106 -5.870 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.666 -5.134 -2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.225 -6.046 -1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.531 -7.039 -0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.840 -7.120 0.026 1.00 0.00 H new ATOM 555 N SER A 35 8.102 -0.499 -4.200 1.00 0.00 N ATOM 556 CA SER A 35 9.451 0.017 -4.400 1.00 0.00 C ATOM 557 C SER A 35 9.693 1.254 -3.541 1.00 0.00 C ATOM 558 O SER A 35 10.662 1.319 -2.784 1.00 0.00 O ATOM 559 CB SER A 35 9.677 0.355 -5.875 1.00 0.00 C ATOM 560 OG SER A 35 11.046 0.238 -6.222 1.00 0.00 O ATOM 0 H SER A 35 7.612 -0.744 -5.061 1.00 0.00 H new ATOM 0 HA SER A 35 10.157 -0.757 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.082 -0.312 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.333 1.370 -6.075 1.00 0.00 H new ATOM 0 HG SER A 35 11.163 0.458 -7.170 1.00 0.00 H new ATOM 566 N LYS A 36 8.804 2.234 -3.663 1.00 0.00 N ATOM 567 CA LYS A 36 8.918 3.470 -2.897 1.00 0.00 C ATOM 568 C LYS A 36 9.026 3.177 -1.404 1.00 0.00 C ATOM 569 O LYS A 36 10.044 3.467 -0.777 1.00 0.00 O ATOM 570 CB LYS A 36 7.711 4.372 -3.165 1.00 0.00 C ATOM 571 CG LYS A 36 7.609 4.840 -4.606 1.00 0.00 C ATOM 572 CD LYS A 36 8.768 5.749 -4.980 1.00 0.00 C ATOM 573 CE LYS A 36 8.720 7.059 -4.208 1.00 0.00 C ATOM 574 NZ LYS A 36 9.648 8.073 -4.780 1.00 0.00 N ATOM 0 H LYS A 36 7.996 2.196 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 36 9.826 3.983 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.800 3.834 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.767 5.243 -2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.594 3.976 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.668 5.370 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.711 5.240 -4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.740 5.955 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.703 7.450 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.980 6.876 -3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.586 8.951 -4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.622 7.710 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.385 8.267 -5.767 1.00 0.00 H new ATOM 588 N ALA A 37 7.969 2.599 -0.841 1.00 0.00 N ATOM 589 CA ALA A 37 7.948 2.264 0.577 1.00 0.00 C ATOM 590 C ALA A 37 9.211 1.513 0.984 1.00 0.00 C ATOM 591 O ALA A 37 9.702 1.663 2.103 1.00 0.00 O ATOM 592 CB ALA A 37 6.713 1.439 0.906 1.00 0.00 C ATOM 0 H ALA A 37 7.117 2.354 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 37 7.912 3.195 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.710 1.196 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.818 2.011 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.725 0.518 0.323 1.00 0.00 H new ATOM 598 N LYS A 38 9.734 0.705 0.068 1.00 0.00 N ATOM 599 CA LYS A 38 10.941 -0.069 0.329 1.00 0.00 C ATOM 600 C LYS A 38 12.173 0.829 0.336 1.00 0.00 C ATOM 601 O LYS A 38 13.116 0.601 1.095 1.00 0.00 O ATOM 602 CB LYS A 38 11.104 -1.169 -0.723 1.00 0.00 C ATOM 603 CG LYS A 38 12.134 -2.221 -0.348 1.00 0.00 C ATOM 604 CD LYS A 38 12.175 -3.348 -1.366 1.00 0.00 C ATOM 605 CE LYS A 38 13.548 -4.001 -1.419 1.00 0.00 C ATOM 606 NZ LYS A 38 13.486 -5.378 -1.982 1.00 0.00 N ATOM 0 H LYS A 38 9.340 0.569 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 38 10.842 -0.527 1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.141 -1.655 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.390 -0.714 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.118 -1.758 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.900 -2.627 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.424 -4.097 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.917 -2.959 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.217 -3.391 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.972 -4.038 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.450 -5.750 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.951 -5.993 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.013 -5.354 -2.908 1.00 0.00 H new ATOM 620 N ILE A 39 12.159 1.852 -0.513 1.00 0.00 N ATOM 621 CA ILE A 39 13.274 2.786 -0.602 1.00 0.00 C ATOM 622 C ILE A 39 13.253 3.780 0.554 1.00 0.00 C ATOM 623 O ILE A 39 14.299 4.153 1.084 1.00 0.00 O ATOM 624 CB ILE A 39 13.254 3.562 -1.932 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.310 2.592 -3.115 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.414 4.545 -1.990 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.619 3.112 -4.356 1.00 0.00 C ATOM 0 H ILE A 39 11.387 2.054 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 39 14.187 2.193 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 39 12.323 4.126 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.353 2.380 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.851 1.648 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.386 5.086 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.333 5.253 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.356 4.002 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.698 2.373 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.568 3.297 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.092 4.041 -4.674 1.00 0.00 H new ATOM 639 N ALA A 40 12.054 4.204 0.940 1.00 0.00 N ATOM 640 CA ALA A 40 11.896 5.151 2.036 1.00 0.00 C ATOM 641 C ALA A 40 12.361 4.547 3.357 1.00 0.00 C ATOM 642 O ALA A 40 13.138 5.157 4.091 1.00 0.00 O ATOM 643 CB ALA A 40 10.445 5.600 2.141 1.00 0.00 C ATOM 0 H ALA A 40 11.178 3.906 0.510 1.00 0.00 H new ATOM 0 HA ALA A 40 12.520 6.019 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.342 6.307 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.144 6.080 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.809 4.734 2.325 1.00 0.00 H new ATOM 649 N PHE A 41 11.881 3.344 3.653 1.00 0.00 N ATOM 650 CA PHE A 41 12.246 2.657 4.886 1.00 0.00 C ATOM 651 C PHE A 41 13.519 1.837 4.695 1.00 0.00 C ATOM 652 O PHE A 41 14.366 1.769 5.585 1.00 0.00 O ATOM 653 CB PHE A 41 11.105 1.748 5.347 1.00 0.00 C ATOM 654 CG PHE A 41 9.897 2.500 5.828 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.155 3.278 4.955 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.504 2.429 7.155 1.00 0.00 C ATOM 657 CE1 PHE A 41 8.043 3.971 5.394 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.392 3.119 7.601 1.00 0.00 C ATOM 659 CZ PHE A 41 7.662 3.892 6.720 1.00 0.00 C ATOM 0 H PHE A 41 11.238 2.824 3.055 1.00 0.00 H new ATOM 0 HA PHE A 41 12.431 3.411 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.814 1.097 4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.465 1.104 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.449 3.344 3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.073 1.828 7.849 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.473 4.573 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.095 3.053 8.637 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.795 4.434 7.067 1.00 0.00 H new ATOM 669 N GLY A 42 13.645 1.214 3.528 1.00 0.00 N ATOM 670 CA GLY A 42 14.816 0.406 3.240 1.00 0.00 C ATOM 671 C GLY A 42 14.634 -1.043 3.647 1.00 0.00 C ATOM 672 O GLY A 42 15.601 -1.723 3.991 1.00 0.00 O ATOM 0 H GLY A 42 12.957 1.254 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.035 0.456 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.678 0.821 3.762 1.00 0.00 H new ATOM 676 N GLN A 43 13.393 -1.516 3.609 1.00 0.00 N ATOM 677 CA GLN A 43 13.088 -2.893 3.979 1.00 0.00 C ATOM 678 C GLN A 43 11.875 -3.407 3.212 1.00 0.00 C ATOM 679 O GLN A 43 11.036 -2.626 2.761 1.00 0.00 O ATOM 680 CB GLN A 43 12.836 -2.995 5.484 1.00 0.00 C ATOM 681 CG GLN A 43 14.092 -3.270 6.294 1.00 0.00 C ATOM 682 CD GLN A 43 14.001 -2.738 7.711 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.484 -1.644 8.008 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.380 -3.510 8.595 1.00 0.00 N ATOM 0 H GLN A 43 12.582 -0.966 3.326 1.00 0.00 H new ATOM 0 HA GLN A 43 13.947 -3.511 3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.385 -2.066 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.113 -3.789 5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.272 -4.345 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.948 -2.817 5.794 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.995 -4.409 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.288 -3.204 9.564 1.00 0.00 H new ATOM 693 N SER A 44 11.787 -4.725 3.067 1.00 0.00 N ATOM 694 CA SER A 44 10.678 -5.344 2.351 1.00 0.00 C ATOM 695 C SER A 44 9.454 -5.473 3.252 1.00 0.00 C ATOM 696 O SER A 44 9.470 -6.211 4.237 1.00 0.00 O ATOM 697 CB SER A 44 11.087 -6.722 1.826 1.00 0.00 C ATOM 698 OG SER A 44 11.643 -6.628 0.526 1.00 0.00 O ATOM 0 H SER A 44 12.471 -5.385 3.436 1.00 0.00 H new ATOM 0 HA SER A 44 10.420 -4.704 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.813 -7.172 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.218 -7.380 1.807 1.00 0.00 H new ATOM 0 HG SER A 44 11.898 -7.521 0.214 1.00 0.00 H new ATOM 704 N MET A 45 8.394 -4.749 2.907 1.00 0.00 N ATOM 705 CA MET A 45 7.160 -4.783 3.683 1.00 0.00 C ATOM 706 C MET A 45 5.940 -4.781 2.767 1.00 0.00 C ATOM 707 O MET A 45 5.943 -4.140 1.716 1.00 0.00 O ATOM 708 CB MET A 45 7.099 -3.587 4.635 1.00 0.00 C ATOM 709 CG MET A 45 7.454 -2.265 3.975 1.00 0.00 C ATOM 710 SD MET A 45 7.977 -1.013 5.162 1.00 0.00 S ATOM 711 CE MET A 45 9.293 -1.881 6.012 1.00 0.00 C ATOM 0 H MET A 45 8.365 -4.132 2.095 1.00 0.00 H new ATOM 0 HA MET A 45 7.152 -5.704 4.266 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.095 -3.517 5.053 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.779 -3.762 5.468 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.252 -2.428 3.250 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.590 -1.897 3.421 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.118 -1.194 6.203 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.919 -2.271 6.959 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.644 -2.706 5.393 1.00 0.00 H new ATOM 721 N ASP A 46 4.901 -5.503 3.171 1.00 0.00 N ATOM 722 CA ASP A 46 3.675 -5.584 2.386 1.00 0.00 C ATOM 723 C ASP A 46 2.885 -4.282 2.477 1.00 0.00 C ATOM 724 O ASP A 46 3.125 -3.458 3.361 1.00 0.00 O ATOM 725 CB ASP A 46 2.813 -6.753 2.867 1.00 0.00 C ATOM 726 CG ASP A 46 1.981 -7.355 1.752 1.00 0.00 C ATOM 727 OD1 ASP A 46 1.678 -6.632 0.780 1.00 0.00 O ATOM 728 OD2 ASP A 46 1.632 -8.550 1.851 1.00 0.00 O ATOM 0 H ASP A 46 4.883 -6.041 4.038 1.00 0.00 H new ATOM 0 HA ASP A 46 3.949 -5.749 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.456 -7.523 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.153 -6.411 3.664 1.00 0.00 H new ATOM 733 N LEU A 47 1.943 -4.103 1.558 1.00 0.00 N ATOM 734 CA LEU A 47 1.117 -2.900 1.533 1.00 0.00 C ATOM 735 C LEU A 47 -0.357 -3.247 1.716 1.00 0.00 C ATOM 736 O LEU A 47 -1.002 -3.761 0.801 1.00 0.00 O ATOM 737 CB LEU A 47 1.316 -2.148 0.216 1.00 0.00 C ATOM 738 CG LEU A 47 2.471 -1.146 0.183 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.805 -1.864 0.305 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.423 -0.319 -1.094 1.00 0.00 C ATOM 0 H LEU A 47 1.732 -4.775 0.820 1.00 0.00 H new ATOM 0 HA LEU A 47 1.426 -2.260 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.473 -2.879 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.394 -1.617 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 47 2.366 -0.472 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.615 -1.135 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.839 -2.411 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.920 -2.562 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.252 0.389 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.502 -0.979 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.480 0.226 -1.139 1.00 0.00 H new ATOM 752 N HIS A 48 -0.884 -2.962 2.902 1.00 0.00 N ATOM 753 CA HIS A 48 -2.283 -3.242 3.204 1.00 0.00 C ATOM 754 C HIS A 48 -3.090 -1.950 3.286 1.00 0.00 C ATOM 755 O HIS A 48 -2.921 -1.158 4.214 1.00 0.00 O ATOM 756 CB HIS A 48 -2.399 -4.013 4.519 1.00 0.00 C ATOM 757 CG HIS A 48 -1.840 -5.401 4.451 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.670 -5.710 3.789 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.296 -6.566 4.968 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.433 -7.005 3.901 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.404 -7.547 4.612 1.00 0.00 N ATOM 0 H HIS A 48 -0.364 -2.537 3.670 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.688 -3.852 2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.881 -3.459 5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.449 -4.067 4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.195 -6.699 5.552 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.412 -7.531 3.482 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.479 -8.534 4.857 1.00 0.00 H new ATOM 770 N TYR A 49 -3.966 -1.743 2.309 1.00 0.00 N ATOM 771 CA TYR A 49 -4.797 -0.545 2.269 1.00 0.00 C ATOM 772 C TYR A 49 -6.215 -0.850 2.740 1.00 0.00 C ATOM 773 O TYR A 49 -6.816 -1.847 2.338 1.00 0.00 O ATOM 774 CB TYR A 49 -4.831 0.030 0.852 1.00 0.00 C ATOM 775 CG TYR A 49 -6.017 -0.435 0.038 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.970 -1.627 -0.675 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.184 0.316 -0.020 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.050 -2.057 -1.421 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.270 -0.106 -0.762 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.198 -1.293 -1.460 1.00 0.00 C ATOM 781 OH TYR A 49 -9.277 -1.716 -2.202 1.00 0.00 O ATOM 0 H TYR A 49 -4.119 -2.389 1.534 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.360 0.192 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.846 1.118 0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.914 -0.249 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.073 -2.228 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.243 1.247 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.996 -2.985 -1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.170 0.490 -0.795 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.105 -1.391 -1.790 1.00 0.00 H new ATOM 791 N THR A 50 -6.747 0.017 3.597 1.00 0.00 N ATOM 792 CA THR A 50 -8.094 -0.157 4.125 1.00 0.00 C ATOM 793 C THR A 50 -9.097 0.707 3.369 1.00 0.00 C ATOM 794 O THR A 50 -9.005 1.933 3.378 1.00 0.00 O ATOM 795 CB THR A 50 -8.160 0.192 5.623 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.947 1.596 5.809 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.118 -0.592 6.408 1.00 0.00 C ATOM 0 H THR A 50 -6.264 0.847 3.940 1.00 0.00 H new ATOM 0 HA THR A 50 -8.351 -1.208 3.993 1.00 0.00 H new ATOM 0 HB THR A 50 -9.149 -0.077 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.241 2.080 5.009 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.184 -0.329 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.300 -1.660 6.288 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.123 -0.349 6.035 1.00 0.00 H new ATOM 805 N ASN A 51 -10.055 0.058 2.715 1.00 0.00 N ATOM 806 CA ASN A 51 -11.076 0.768 1.953 1.00 0.00 C ATOM 807 C ASN A 51 -11.989 1.565 2.880 1.00 0.00 C ATOM 808 O ASN A 51 -12.001 2.795 2.849 1.00 0.00 O ATOM 809 CB ASN A 51 -11.904 -0.218 1.127 1.00 0.00 C ATOM 810 CG ASN A 51 -13.218 0.378 0.661 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.422 1.590 0.732 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.117 -0.473 0.180 1.00 0.00 N ATOM 0 H ASN A 51 -10.146 -0.958 2.697 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.574 1.463 1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.325 -0.537 0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.103 -1.109 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.019 -0.130 -0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.905 -1.470 0.140 1.00 0.00 H new ATOM 819 N ASN A 52 -12.753 0.855 3.703 1.00 0.00 N ATOM 820 CA ASN A 52 -13.670 1.496 4.639 1.00 0.00 C ATOM 821 C ASN A 52 -13.384 1.053 6.070 1.00 0.00 C ATOM 822 O ASN A 52 -12.888 1.831 6.884 1.00 0.00 O ATOM 823 CB ASN A 52 -15.119 1.168 4.271 1.00 0.00 C ATOM 824 CG ASN A 52 -16.095 2.212 4.779 1.00 0.00 C ATOM 825 OD1 ASN A 52 -15.704 3.171 5.444 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.372 2.029 4.467 1.00 0.00 N ATOM 0 H ASN A 52 -12.756 -0.164 3.741 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.521 2.574 4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.207 1.089 3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.385 0.195 4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.075 2.698 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.651 1.219 3.913 1.00 0.00 H new ATOM 833 N GLU A 53 -13.701 -0.203 6.370 1.00 0.00 N ATOM 834 CA GLU A 53 -13.478 -0.749 7.703 1.00 0.00 C ATOM 835 C GLU A 53 -12.649 -2.028 7.636 1.00 0.00 C ATOM 836 O GLU A 53 -12.095 -2.476 8.641 1.00 0.00 O ATOM 837 CB GLU A 53 -14.815 -1.031 8.393 1.00 0.00 C ATOM 838 CG GLU A 53 -15.878 -1.583 7.458 1.00 0.00 C ATOM 839 CD GLU A 53 -16.860 -2.496 8.166 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.434 -3.568 8.645 1.00 0.00 O ATOM 841 OE2 GLU A 53 -18.054 -2.139 8.242 1.00 0.00 O ATOM 0 H GLU A 53 -14.113 -0.861 5.708 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.926 -0.009 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.653 -1.741 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.183 -0.109 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.421 -0.755 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.396 -2.132 6.649 1.00 0.00 H new ATOM 848 N LEU A 54 -12.568 -2.612 6.445 1.00 0.00 N ATOM 849 CA LEU A 54 -11.807 -3.840 6.245 1.00 0.00 C ATOM 850 C LEU A 54 -10.393 -3.532 5.763 1.00 0.00 C ATOM 851 O LEU A 54 -10.021 -2.370 5.599 1.00 0.00 O ATOM 852 CB LEU A 54 -12.516 -4.744 5.235 1.00 0.00 C ATOM 853 CG LEU A 54 -13.688 -5.564 5.776 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.274 -6.443 4.682 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.247 -6.408 6.962 1.00 0.00 C ATOM 0 H LEU A 54 -13.020 -2.255 5.603 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.741 -4.357 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.880 -4.124 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.782 -5.431 4.814 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.462 -4.875 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.107 -7.019 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.629 -5.817 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.507 -7.124 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.094 -6.984 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.454 -7.088 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.876 -5.757 7.754 1.00 0.00 H new ATOM 867 N VAL A 55 -9.609 -4.581 5.536 1.00 0.00 N ATOM 868 CA VAL A 55 -8.236 -4.422 5.070 1.00 0.00 C ATOM 869 C VAL A 55 -7.977 -5.269 3.829 1.00 0.00 C ATOM 870 O VAL A 55 -8.330 -6.448 3.785 1.00 0.00 O ATOM 871 CB VAL A 55 -7.224 -4.810 6.164 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.803 -4.521 5.703 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.533 -4.076 7.460 1.00 0.00 C ATOM 0 H VAL A 55 -9.901 -5.550 5.667 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.105 -3.369 4.822 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.309 -5.880 6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.101 -4.801 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.588 -5.097 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.700 -3.458 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.808 -4.362 8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.477 -3.001 7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.536 -4.339 7.797 1.00 0.00 H new ATOM 883 N ILE A 56 -7.357 -4.661 2.824 1.00 0.00 N ATOM 884 CA ILE A 56 -7.048 -5.360 1.582 1.00 0.00 C ATOM 885 C ILE A 56 -5.547 -5.370 1.316 1.00 0.00 C ATOM 886 O ILE A 56 -4.952 -4.363 0.932 1.00 0.00 O ATOM 887 CB ILE A 56 -7.767 -4.717 0.381 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.229 -4.430 0.727 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.673 -5.622 -0.838 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.442 -3.082 1.380 1.00 0.00 C ATOM 0 H ILE A 56 -7.058 -3.686 2.845 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.400 -6.385 1.700 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.277 -3.772 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.826 -4.482 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.596 -5.210 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.186 -5.154 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.625 -5.780 -1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.141 -6.581 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.501 -2.946 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.872 -3.033 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.106 -2.294 0.706 1.00 0.00 H new ATOM 902 N PRO A 57 -4.918 -6.537 1.523 1.00 0.00 N ATOM 903 CA PRO A 57 -3.478 -6.708 1.309 1.00 0.00 C ATOM 904 C PRO A 57 -3.100 -6.654 -0.168 1.00 0.00 C ATOM 905 O PRO A 57 -3.222 -7.646 -0.887 1.00 0.00 O ATOM 906 CB PRO A 57 -3.197 -8.100 1.882 1.00 0.00 C ATOM 907 CG PRO A 57 -4.497 -8.820 1.782 1.00 0.00 C ATOM 908 CD PRO A 57 -5.564 -7.778 1.980 1.00 0.00 C ATOM 0 HA PRO A 57 -2.899 -5.913 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.417 -8.611 1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.855 -8.041 2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.601 -9.305 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.570 -9.601 2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.458 -8.003 1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.871 -7.710 3.024 1.00 0.00 H new ATOM 916 N LEU A 58 -2.641 -5.490 -0.614 1.00 0.00 N ATOM 917 CA LEU A 58 -2.245 -5.306 -2.006 1.00 0.00 C ATOM 918 C LEU A 58 -1.161 -6.304 -2.399 1.00 0.00 C ATOM 919 O LEU A 58 0.012 -6.126 -2.069 1.00 0.00 O ATOM 920 CB LEU A 58 -1.746 -3.878 -2.230 1.00 0.00 C ATOM 921 CG LEU A 58 -2.825 -2.806 -2.384 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.324 -1.466 -1.867 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.259 -2.690 -3.838 1.00 0.00 C ATOM 0 H LEU A 58 -2.534 -4.659 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.119 -5.481 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.106 -3.603 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.123 -3.868 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.690 -3.101 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.105 -0.715 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.064 -1.557 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.443 -1.164 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.027 -1.922 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.401 -2.419 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.660 -3.646 -4.175 1.00 0.00 H new ATOM 935 N THR A 59 -1.560 -7.355 -3.109 1.00 0.00 N ATOM 936 CA THR A 59 -0.623 -8.381 -3.549 1.00 0.00 C ATOM 937 C THR A 59 -0.540 -8.433 -5.070 1.00 0.00 C ATOM 938 O THR A 59 0.516 -8.720 -5.636 1.00 0.00 O ATOM 939 CB THR A 59 -1.022 -9.771 -3.020 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.422 -9.990 -3.227 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.697 -9.900 -1.539 1.00 0.00 C ATOM 0 H THR A 59 -2.526 -7.518 -3.392 1.00 0.00 H new ATOM 0 HA THR A 59 0.353 -8.113 -3.143 1.00 0.00 H new ATOM 0 HB THR A 59 -0.452 -10.522 -3.568 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.668 -10.877 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.988 -10.890 -1.188 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.374 -9.761 -1.388 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.244 -9.141 -0.979 1.00 0.00 H new ATOM 949 N THR A 60 -1.660 -8.154 -5.730 1.00 0.00 N ATOM 950 CA THR A 60 -1.713 -8.170 -7.186 1.00 0.00 C ATOM 951 C THR A 60 -2.268 -6.859 -7.730 1.00 0.00 C ATOM 952 O THR A 60 -2.932 -6.110 -7.013 1.00 0.00 O ATOM 953 CB THR A 60 -2.579 -9.334 -7.703 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.931 -9.174 -7.261 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.036 -10.670 -7.217 1.00 0.00 C ATOM 0 H THR A 60 -2.543 -7.914 -5.279 1.00 0.00 H new ATOM 0 HA THR A 60 -0.690 -8.303 -7.538 1.00 0.00 H new ATOM 0 HB THR A 60 -2.550 -9.322 -8.793 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.944 -8.656 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.664 -11.477 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.017 -10.803 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.038 -10.689 -6.127 1.00 0.00 H new ATOM 963 N GLN A 61 -1.992 -6.587 -9.002 1.00 0.00 N ATOM 964 CA GLN A 61 -2.465 -5.365 -9.641 1.00 0.00 C ATOM 965 C GLN A 61 -3.978 -5.229 -9.506 1.00 0.00 C ATOM 966 O GLN A 61 -4.484 -4.179 -9.111 1.00 0.00 O ATOM 967 CB GLN A 61 -2.070 -5.352 -11.119 1.00 0.00 C ATOM 968 CG GLN A 61 -0.730 -4.685 -11.385 1.00 0.00 C ATOM 969 CD GLN A 61 -0.868 -3.216 -11.735 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.580 -2.472 -10.896 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 -0.342 -2.755 -12.748 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.444 -7.196 -9.609 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.997 -4.518 -9.139 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.035 -6.378 -11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.843 -4.836 -11.688 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.097 -4.787 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.226 -5.203 -12.201 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.197 -3.363 -13.365 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.445 -1.765 -12.970 1.00 0.00 H new ATOM 980 N ASP A 62 -4.694 -6.298 -9.836 1.00 0.00 N ATOM 981 CA ASP A 62 -6.150 -6.299 -9.750 1.00 0.00 C ATOM 982 C ASP A 62 -6.622 -5.532 -8.519 1.00 0.00 C ATOM 983 O ASP A 62 -7.551 -4.727 -8.596 1.00 0.00 O ATOM 984 CB ASP A 62 -6.679 -7.734 -9.707 1.00 0.00 C ATOM 985 CG ASP A 62 -6.641 -8.406 -11.065 1.00 0.00 C ATOM 986 OD1 ASP A 62 -6.796 -7.698 -12.081 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.457 -9.641 -11.111 1.00 0.00 O ATOM 0 H ASP A 62 -4.290 -7.175 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.542 -5.802 -10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.087 -8.315 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.704 -7.729 -9.336 1.00 0.00 H new ATOM 992 N ASP A 63 -5.978 -5.787 -7.386 1.00 0.00 N ATOM 993 CA ASP A 63 -6.333 -5.121 -6.138 1.00 0.00 C ATOM 994 C ASP A 63 -6.046 -3.625 -6.221 1.00 0.00 C ATOM 995 O ASP A 63 -6.886 -2.800 -5.859 1.00 0.00 O ATOM 996 CB ASP A 63 -5.561 -5.737 -4.970 1.00 0.00 C ATOM 997 CG ASP A 63 -5.908 -7.196 -4.752 1.00 0.00 C ATOM 998 OD1 ASP A 63 -7.055 -7.480 -4.348 1.00 0.00 O ATOM 999 OD2 ASP A 63 -5.033 -8.055 -4.988 1.00 0.00 O ATOM 0 H ASP A 63 -5.207 -6.450 -7.306 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.401 -5.259 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.491 -5.645 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.775 -5.176 -4.060 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.855 -3.281 -6.699 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.457 -1.884 -6.828 1.00 0.00 C ATOM 1006 C LEU A 64 -5.424 -1.123 -7.729 1.00 0.00 C ATOM 1007 O LEU A 64 -6.010 -0.120 -7.322 1.00 0.00 O ATOM 1008 CB LEU A 64 -3.037 -1.788 -7.388 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.610 -0.413 -7.904 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.671 0.618 -6.787 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.211 -0.477 -8.498 1.00 0.00 C ATOM 0 H LEU A 64 -4.148 -3.951 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.482 -1.432 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.339 -2.094 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.940 -2.506 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.302 -0.109 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.364 1.590 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.691 0.684 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.002 0.320 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.924 0.510 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.506 -0.802 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.200 -1.185 -9.327 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.587 -1.608 -8.955 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.486 -0.976 -9.914 1.00 0.00 C ATOM 1025 C ASP A 65 -7.849 -0.706 -9.285 1.00 0.00 C ATOM 1026 O ASP A 65 -8.464 0.332 -9.530 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.649 -1.859 -11.152 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.911 -1.052 -12.409 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -8.068 -0.628 -12.611 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -5.959 -0.844 -13.189 1.00 0.00 O ATOM 0 H ASP A 65 -5.108 -2.437 -9.308 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.047 -0.024 -10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.748 -2.457 -11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.473 -2.555 -10.992 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.317 -1.647 -8.472 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.607 -1.512 -7.806 1.00 0.00 C ATOM 1037 C LYS A 66 -9.507 -0.568 -6.612 1.00 0.00 C ATOM 1038 O LYS A 66 -10.487 0.070 -6.229 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.113 -2.881 -7.347 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.961 -3.596 -8.384 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.900 -4.602 -7.740 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.582 -5.474 -8.783 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.391 -6.557 -8.157 1.00 0.00 N ATOM 0 H LYS A 66 -7.821 -2.512 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.314 -1.091 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.258 -3.508 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.698 -2.756 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.541 -2.865 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.313 -4.106 -9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.341 -5.231 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.654 -4.075 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.225 -4.856 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.829 -5.915 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.840 -7.129 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.773 -7.162 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.126 -6.136 -7.553 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.315 -0.484 -6.028 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.087 0.384 -4.880 1.00 0.00 C ATOM 1059 C ALA A 67 -7.891 1.832 -5.317 1.00 0.00 C ATOM 1060 O ALA A 67 -8.188 2.763 -4.568 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.882 -0.097 -4.086 1.00 0.00 C ATOM 0 H ALA A 67 -7.493 -1.007 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.970 0.341 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.723 0.561 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.060 -1.113 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.998 -0.084 -4.723 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.389 2.015 -6.534 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.154 3.350 -7.071 1.00 0.00 C ATOM 1069 C VAL A 68 -8.439 3.953 -7.627 1.00 0.00 C ATOM 1070 O VAL A 68 -8.712 5.138 -7.438 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.087 3.329 -8.182 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.884 4.723 -8.755 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.777 2.766 -7.651 1.00 0.00 C ATOM 0 H VAL A 68 -7.137 1.256 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.795 3.964 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.437 2.680 -8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.127 4.688 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.823 5.084 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.557 5.397 -7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.034 2.758 -8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.420 3.387 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.936 1.749 -7.294 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.223 3.129 -8.314 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.480 3.582 -8.899 1.00 0.00 C ATOM 1085 C GLU A 69 -11.484 3.951 -7.810 1.00 0.00 C ATOM 1086 O GLU A 69 -12.254 4.902 -7.957 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.068 2.497 -9.803 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.645 1.316 -9.041 1.00 0.00 C ATOM 1089 CD GLU A 69 -13.119 1.488 -8.729 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.632 2.615 -8.891 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -13.760 0.496 -8.323 1.00 0.00 O ATOM 0 H GLU A 69 -9.011 2.145 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.274 4.470 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.850 2.936 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.291 2.138 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.505 0.407 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.093 1.184 -8.110 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.471 3.193 -6.720 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.380 3.439 -5.606 1.00 0.00 C ATOM 1100 C LEU A 70 -12.045 4.754 -4.910 1.00 0.00 C ATOM 1101 O LEU A 70 -12.938 5.512 -4.527 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.313 2.286 -4.603 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.271 2.423 -3.492 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -11.799 3.306 -2.371 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -10.880 1.054 -2.956 1.00 0.00 C ATOM 0 H LEU A 70 -10.841 2.403 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.392 3.508 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.294 2.175 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.112 1.365 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.382 2.895 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.044 3.392 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.028 4.296 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.704 2.863 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.138 1.171 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.762 0.555 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.460 0.454 -3.763 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.754 5.021 -4.750 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.300 6.247 -4.102 1.00 0.00 C ATOM 1119 C LEU A 71 -10.839 7.477 -4.825 1.00 0.00 C ATOM 1120 O LEU A 71 -11.329 8.414 -4.194 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.771 6.292 -4.066 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.143 7.683 -3.976 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.597 8.393 -2.710 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.625 7.586 -4.020 1.00 0.00 C ATOM 0 H LEU A 71 -10.002 4.405 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.682 6.252 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.430 5.705 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.392 5.801 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.475 8.267 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.140 9.381 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.682 8.495 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.295 7.812 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.195 8.585 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.274 6.984 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.317 7.119 -4.955 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.749 7.465 -6.150 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.231 8.578 -6.959 1.00 0.00 C ATOM 1138 C ASP A 72 -12.741 8.742 -6.813 1.00 0.00 C ATOM 1139 O ASP A 72 -13.220 9.774 -6.343 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.868 8.363 -8.429 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.713 9.668 -9.184 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.629 10.512 -9.105 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.674 9.845 -9.856 1.00 0.00 O ATOM 0 H ASP A 72 -10.347 6.697 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.749 9.489 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.938 7.798 -8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.640 7.760 -8.906 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.484 7.719 -7.221 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.939 7.750 -7.138 1.00 0.00 C ATOM 1150 C ARG A 73 -15.396 8.083 -5.721 1.00 0.00 C ATOM 1151 O ARG A 73 -16.442 8.701 -5.524 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.525 6.405 -7.571 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.375 5.311 -6.527 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.754 3.949 -7.089 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.201 3.757 -7.127 1.00 0.00 N ATOM 1156 CZ ARG A 73 -17.782 2.566 -7.229 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.042 1.468 -7.301 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.105 2.472 -7.257 1.00 0.00 N ATOM 0 H ARG A 73 -13.102 6.858 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.299 8.529 -7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.583 6.536 -7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.038 6.086 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.345 5.285 -6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.004 5.539 -5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.348 3.846 -8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.300 3.167 -6.481 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.798 4.582 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.025 1.536 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.490 0.555 -7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.677 3.314 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.550 1.557 -7.335 1.00 0.00 H new ATOM 1172 N SER A 74 -14.603 7.670 -4.737 1.00 0.00 N ATOM 1173 CA SER A 74 -14.928 7.920 -3.338 1.00 0.00 C ATOM 1174 C SER A 74 -14.824 9.407 -3.013 1.00 0.00 C ATOM 1175 O SER A 74 -13.735 9.983 -3.033 1.00 0.00 O ATOM 1176 CB SER A 74 -13.996 7.121 -2.425 1.00 0.00 C ATOM 1177 OG SER A 74 -14.384 7.243 -1.067 1.00 0.00 O ATOM 0 H SER A 74 -13.731 7.161 -4.883 1.00 0.00 H new ATOM 0 HA SER A 74 -15.956 7.599 -3.167 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.008 6.071 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.972 7.474 -2.547 1.00 0.00 H new ATOM 0 HG SER A 74 -14.289 6.376 -0.621 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.963 10.023 -2.716 1.00 0.00 N ATOM 1184 CA ILE A 75 -16.001 11.442 -2.386 1.00 0.00 C ATOM 1185 C ILE A 75 -15.519 11.689 -0.961 1.00 0.00 C ATOM 1186 O ILE A 75 -14.701 12.576 -0.715 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.420 12.020 -2.543 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.917 11.825 -3.977 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.437 13.493 -2.166 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.424 11.766 -4.091 1.00 0.00 C ATOM 0 H ILE A 75 -16.872 9.561 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.333 11.945 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.091 11.486 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.546 12.642 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.494 10.904 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -18.447 13.887 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -17.120 13.607 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.756 14.043 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -19.705 11.626 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.801 10.932 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.854 12.697 -3.721 1.00 0.00 H new ATOM 1202 N HIS A 76 -16.029 10.896 -0.024 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.649 11.026 1.378 1.00 0.00 C ATOM 1204 C HIS A 76 -14.155 10.780 1.561 1.00 0.00 C ATOM 1205 O HIS A 76 -13.464 11.558 2.220 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.448 10.046 2.238 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.549 8.674 1.646 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -17.273 8.212 0.600 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.850 7.590 2.135 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -17.001 6.872 0.477 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -16.140 6.522 1.415 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.706 10.157 -0.210 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.873 12.044 1.697 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.983 9.975 3.221 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.452 10.443 2.389 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -15.172 7.612 2.975 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.423 6.211 -0.266 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.763 5.585 1.559 1.00 0.00 H new ATOM 1220 N MET A 77 -13.662 9.694 0.975 1.00 0.00 N ATOM 1221 CA MET A 77 -12.249 9.347 1.073 1.00 0.00 C ATOM 1222 C MET A 77 -11.374 10.471 0.528 1.00 0.00 C ATOM 1223 O MET A 77 -11.758 11.173 -0.408 1.00 0.00 O ATOM 1224 CB MET A 77 -11.967 8.050 0.311 1.00 0.00 C ATOM 1225 CG MET A 77 -10.626 7.423 0.656 1.00 0.00 C ATOM 1226 SD MET A 77 -10.613 5.636 0.419 1.00 0.00 S ATOM 1227 CE MET A 77 -9.100 5.429 -0.516 1.00 0.00 C ATOM 0 H MET A 77 -14.220 9.039 0.427 1.00 0.00 H new ATOM 0 HA MET A 77 -12.008 9.201 2.126 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.760 7.333 0.524 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.000 8.252 -0.760 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.849 7.873 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.379 7.650 1.693 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.315 4.897 -1.443 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.679 6.407 -0.748 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.384 4.856 0.073 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.196 10.637 1.120 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.265 11.676 0.695 1.00 0.00 C ATOM 1239 C LYS A 78 -8.056 11.067 -0.008 1.00 0.00 C ATOM 1240 O LYS A 78 -7.643 11.533 -1.070 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.807 12.503 1.898 1.00 0.00 C ATOM 1242 CG LYS A 78 -7.912 13.673 1.526 1.00 0.00 C ATOM 1243 CD LYS A 78 -8.723 14.868 1.055 1.00 0.00 C ATOM 1244 CE LYS A 78 -9.295 15.650 2.228 1.00 0.00 C ATOM 1245 NZ LYS A 78 -8.293 16.584 2.813 1.00 0.00 N ATOM 0 H LYS A 78 -9.863 10.065 1.896 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.783 12.328 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.684 12.880 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.273 11.854 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.308 13.959 2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.221 13.368 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.093 15.522 0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.535 14.528 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.168 16.214 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.636 14.956 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.721 17.098 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.471 16.044 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.986 17.263 2.087 1.00 0.00 H new ATOM 1259 N SER A 79 -7.492 10.023 0.592 1.00 0.00 N ATOM 1260 CA SER A 79 -6.328 9.352 0.025 1.00 0.00 C ATOM 1261 C SER A 79 -6.397 7.848 0.267 1.00 0.00 C ATOM 1262 O SER A 79 -7.253 7.365 1.009 1.00 0.00 O ATOM 1263 CB SER A 79 -5.042 9.920 0.628 1.00 0.00 C ATOM 1264 OG SER A 79 -5.037 9.784 2.038 1.00 0.00 O ATOM 0 H SER A 79 -7.822 9.624 1.471 1.00 0.00 H new ATOM 0 HA SER A 79 -6.325 9.529 -1.051 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.180 9.403 0.207 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.945 10.972 0.361 1.00 0.00 H new ATOM 0 HG SER A 79 -4.204 10.153 2.399 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.488 7.112 -0.363 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.444 5.661 -0.217 1.00 0.00 C ATOM 1272 C LEU A 80 -4.554 5.259 0.956 1.00 0.00 C ATOM 1273 O LEU A 80 -3.340 5.119 0.809 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.932 5.014 -1.505 1.00 0.00 C ATOM 1275 CG LEU A 80 -5.002 3.488 -1.564 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.423 3.029 -1.851 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.043 2.950 -2.615 1.00 0.00 C ATOM 0 H LEU A 80 -4.772 7.496 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.457 5.309 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.503 5.416 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.895 5.316 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.704 3.092 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.453 1.940 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.086 3.383 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.750 3.435 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.107 1.862 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.310 3.354 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.025 3.248 -2.365 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.167 5.072 2.120 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.433 4.682 3.317 1.00 0.00 C ATOM 1291 C LYS A 81 -3.755 3.329 3.124 1.00 0.00 C ATOM 1292 O LYS A 81 -4.384 2.367 2.684 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.375 4.625 4.522 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.677 4.268 5.823 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.444 4.788 7.028 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.200 3.926 8.258 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.318 4.028 9.236 1.00 0.00 N ATOM 0 H LYS A 81 -6.171 5.184 2.259 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.663 5.431 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.865 5.592 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.158 3.892 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.573 3.185 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.670 4.686 5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.144 5.815 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.510 4.807 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.076 2.886 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.269 4.231 8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.115 3.427 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.420 5.016 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.202 3.713 8.787 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.470 3.263 3.457 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.709 2.028 3.322 1.00 0.00 C ATOM 1313 C ILE A 82 -1.063 1.633 4.645 1.00 0.00 C ATOM 1314 O ILE A 82 -0.705 2.490 5.455 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.614 2.155 2.247 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.211 2.682 0.940 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.066 0.813 2.021 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.111 1.687 0.242 1.00 0.00 C ATOM 0 H ILE A 82 -1.935 4.051 3.822 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.415 1.255 3.020 1.00 0.00 H new ATOM 0 HB ILE A 82 0.135 2.866 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.779 3.589 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.401 2.961 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.837 0.920 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.521 0.474 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.672 0.082 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.498 2.128 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.543 0.789 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.942 1.426 0.897 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.913 0.330 4.859 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.307 -0.179 6.084 1.00 0.00 C ATOM 1332 C LEU A 83 0.872 -1.095 5.769 1.00 0.00 C ATOM 1333 O LEU A 83 0.694 -2.194 5.242 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.346 -0.935 6.915 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.366 -0.072 7.659 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.689 0.719 8.767 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.080 0.862 6.693 1.00 0.00 C ATOM 0 H LEU A 83 -1.203 -0.393 4.200 1.00 0.00 H new ATOM 0 HA LEU A 83 0.060 0.671 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.886 -1.613 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.820 -1.551 7.644 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.108 -0.729 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.430 1.327 9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.225 0.031 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.925 1.367 8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.802 1.468 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.351 1.513 6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.599 0.275 5.936 1.00 0.00 H new ATOM 1349 N LEU A 84 2.075 -0.636 6.096 1.00 0.00 N ATOM 1350 CA LEU A 84 3.284 -1.414 5.850 1.00 0.00 C ATOM 1351 C LEU A 84 3.412 -2.553 6.857 1.00 0.00 C ATOM 1352 O LEU A 84 3.258 -2.351 8.062 1.00 0.00 O ATOM 1353 CB LEU A 84 4.518 -0.513 5.922 1.00 0.00 C ATOM 1354 CG LEU A 84 4.505 0.716 5.012 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.715 1.596 5.287 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.469 0.297 3.550 1.00 0.00 C ATOM 0 H LEU A 84 2.239 0.271 6.532 1.00 0.00 H new ATOM 0 HA LEU A 84 3.214 -1.843 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.638 -0.177 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.395 -1.112 5.678 1.00 0.00 H new ATOM 0 HG LEU A 84 3.605 1.293 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.689 2.466 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.697 1.925 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.627 1.029 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.460 1.185 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.350 -0.303 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.571 -0.291 3.362 1.00 0.00 H new ATOM 1368 N VAL A 85 3.699 -3.750 6.355 1.00 0.00 N ATOM 1369 CA VAL A 85 3.852 -4.921 7.210 1.00 0.00 C ATOM 1370 C VAL A 85 5.186 -5.615 6.958 1.00 0.00 C ATOM 1371 O VAL A 85 5.468 -6.053 5.842 1.00 0.00 O ATOM 1372 CB VAL A 85 2.710 -5.931 6.989 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.800 -7.067 7.997 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.360 -5.235 7.076 1.00 0.00 C ATOM 0 H VAL A 85 3.830 -3.934 5.360 1.00 0.00 H new ATOM 0 HA VAL A 85 3.819 -4.567 8.240 1.00 0.00 H new ATOM 0 HB VAL A 85 2.811 -6.355 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.985 -7.771 7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.754 -7.581 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.725 -6.664 9.007 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.564 -5.963 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.247 -4.782 8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.300 -4.460 6.312 1.00 0.00 H new ATOM 1384 N ILE A 86 6.003 -5.712 8.001 1.00 0.00 N ATOM 1385 CA ILE A 86 7.306 -6.355 7.893 1.00 0.00 C ATOM 1386 C ILE A 86 7.183 -7.750 7.289 1.00 0.00 C ATOM 1387 O ILE A 86 6.669 -8.669 7.925 1.00 0.00 O ATOM 1388 CB ILE A 86 7.998 -6.461 9.265 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.132 -5.076 9.901 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.362 -7.118 9.121 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.015 -4.133 9.114 1.00 0.00 C ATOM 0 H ILE A 86 5.785 -5.353 8.931 1.00 0.00 H new ATOM 0 HA ILE A 86 7.912 -5.730 7.237 1.00 0.00 H new ATOM 0 HB ILE A 86 7.385 -7.082 9.918 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.141 -4.634 10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.536 -5.185 10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.838 -7.186 10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.242 -8.119 8.706 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.985 -6.521 8.455 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.064 -3.171 9.623 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.017 -4.554 9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.600 -3.994 8.116 1.00 0.00 H new