USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 753 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 101 ASN : amide:sc= -0.372 K(o=-0.28,f=-5.9!) USER MOD Set 1.2: A 104 ASN : amide:sc= 0.0892! K(o=-0.28!,f=-1.9) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0.0077) USER MOD Set 2.2: A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 CYS SG : rot -18:sc= -3.64! USER MOD Single : A 22 MET CE :methyl -127:sc= -0.534 (180deg=-3.42!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 0.963 (180deg=0.703) USER MOD Single : A 34 SER OG : rot 120:sc= 1.19 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 156:sc= -5.2! (180deg=-5.55!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 2:sc= 0.631 USER MOD Single : A 40 SER OG : rot 180:sc= -0.131 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.838 K(o=-0.84,f=-3.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= 1.34 (180deg=1.22) USER MOD Single : A 76 CYS SG : rot 74:sc= -3.36! USER MOD Single : A 80 HIS : no HE2:sc= 0.816 K(o=0.82,f=-5.3!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.497 F(o=-2.9!,f=-0.5) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 87 SER OG : rot 180:sc= 0.121 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 153:sc= -0.674 (180deg=-2.3!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 97 N GLU A 7 -5.955 13.209 5.011 1.00 0.00 N ATOM 98 CA GLU A 7 -5.921 11.798 5.373 1.00 0.00 C ATOM 99 C GLU A 7 -5.174 10.980 4.330 1.00 0.00 C ATOM 100 O GLU A 7 -4.876 9.809 4.544 1.00 0.00 O ATOM 101 CB GLU A 7 -7.346 11.270 5.515 1.00 0.00 C ATOM 102 CG GLU A 7 -8.368 12.134 4.794 1.00 0.00 C ATOM 103 CD GLU A 7 -9.023 13.146 5.711 1.00 0.00 C ATOM 104 OE1 GLU A 7 -10.185 12.934 6.110 1.00 0.00 O ATOM 105 OE2 GLU A 7 -8.369 14.160 6.028 1.00 0.00 O ATOM 0 HA GLU A 7 -5.395 11.702 6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.393 10.254 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.605 11.215 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.881 12.657 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.135 11.495 4.357 1.00 0.00 H new ATOM 112 N PHE A 8 -4.860 11.610 3.209 1.00 0.00 N ATOM 113 CA PHE A 8 -4.161 10.952 2.131 1.00 0.00 C ATOM 114 C PHE A 8 -2.956 11.784 1.803 1.00 0.00 C ATOM 115 O PHE A 8 -2.836 12.328 0.710 1.00 0.00 O ATOM 116 CB PHE A 8 -5.039 10.815 0.889 1.00 0.00 C ATOM 117 CG PHE A 8 -6.502 10.711 1.179 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.359 11.722 0.789 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.020 9.614 1.843 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.703 11.645 1.057 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.367 9.538 2.109 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.210 10.552 1.718 1.00 0.00 C ATOM 0 H PHE A 8 -5.084 12.588 3.027 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.881 9.946 2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.869 11.675 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.727 9.931 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.967 12.583 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.364 8.814 2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.362 12.443 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.765 8.678 2.627 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.267 10.489 1.930 1.00 0.00 H new ATOM 132 N ALA A 9 -2.082 11.917 2.773 1.00 0.00 N ATOM 133 CA ALA A 9 -0.914 12.703 2.599 1.00 0.00 C ATOM 134 C ALA A 9 0.186 12.213 3.510 1.00 0.00 C ATOM 135 O ALA A 9 0.156 11.082 4.002 1.00 0.00 O ATOM 136 CB ALA A 9 -1.236 14.165 2.842 1.00 0.00 C ATOM 0 H ALA A 9 -2.171 11.482 3.691 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.558 12.604 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.335 14.763 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.998 14.492 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.607 14.292 3.859 1.00 0.00 H new ATOM 142 N LEU A 10 1.131 13.085 3.730 1.00 0.00 N ATOM 143 CA LEU A 10 2.304 12.796 4.533 1.00 0.00 C ATOM 144 C LEU A 10 1.949 12.341 5.944 1.00 0.00 C ATOM 145 O LEU A 10 1.486 13.140 6.760 1.00 0.00 O ATOM 146 CB LEU A 10 3.161 14.047 4.600 1.00 0.00 C ATOM 147 CG LEU A 10 3.899 14.412 3.307 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.053 15.350 2.456 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.243 15.048 3.622 1.00 0.00 C ATOM 0 H LEU A 10 1.115 14.033 3.354 1.00 0.00 H new ATOM 0 HA LEU A 10 2.844 11.975 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.526 14.886 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.897 13.920 5.394 1.00 0.00 H new ATOM 0 HG LEU A 10 4.074 13.497 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.593 15.598 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.113 14.861 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.847 16.263 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.753 15.301 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.088 15.954 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.853 14.347 4.191 1.00 0.00 H new ATOM 161 N GLY A 11 2.156 11.051 6.217 1.00 0.00 N ATOM 162 CA GLY A 11 1.873 10.505 7.534 1.00 0.00 C ATOM 163 C GLY A 11 0.411 10.623 7.909 1.00 0.00 C ATOM 164 O GLY A 11 0.076 10.803 9.086 1.00 0.00 O ATOM 0 H GLY A 11 2.516 10.374 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.168 9.456 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.478 11.025 8.277 1.00 0.00 H new ATOM 168 N GLY A 12 -0.453 10.516 6.915 1.00 0.00 N ATOM 169 CA GLY A 12 -1.873 10.626 7.151 1.00 0.00 C ATOM 170 C GLY A 12 -2.516 9.302 7.499 1.00 0.00 C ATOM 171 O GLY A 12 -2.039 8.240 7.086 1.00 0.00 O ATOM 0 H GLY A 12 -0.193 10.354 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.048 11.333 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.353 11.035 6.262 1.00 0.00 H new ATOM 175 N ARG A 13 -3.594 9.369 8.267 1.00 0.00 N ATOM 176 CA ARG A 13 -4.330 8.184 8.669 1.00 0.00 C ATOM 177 C ARG A 13 -5.365 7.862 7.607 1.00 0.00 C ATOM 178 O ARG A 13 -6.333 8.605 7.443 1.00 0.00 O ATOM 179 CB ARG A 13 -5.032 8.433 10.003 1.00 0.00 C ATOM 180 CG ARG A 13 -4.585 7.522 11.130 1.00 0.00 C ATOM 181 CD ARG A 13 -5.325 7.859 12.411 1.00 0.00 C ATOM 182 NE ARG A 13 -4.840 7.097 13.559 1.00 0.00 N ATOM 183 CZ ARG A 13 -4.124 7.626 14.550 1.00 0.00 C ATOM 184 NH1 ARG A 13 -3.763 8.899 14.511 1.00 0.00 N ATOM 185 NH2 ARG A 13 -3.765 6.876 15.584 1.00 0.00 N ATOM 0 H ARG A 13 -3.980 10.242 8.626 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.639 7.349 8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.862 9.468 10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.106 8.314 9.861 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.769 6.482 10.860 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.511 7.626 11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.220 8.924 12.617 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.389 7.664 12.274 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.062 6.103 13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.033 9.482 13.719 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.215 9.297 15.273 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.037 5.894 15.620 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.217 7.282 16.342 1.00 0.00 H new ATOM 199 N CYS A 14 -5.171 6.779 6.883 1.00 0.00 N ATOM 200 CA CYS A 14 -6.105 6.405 5.847 1.00 0.00 C ATOM 201 C CYS A 14 -6.470 4.934 5.941 1.00 0.00 C ATOM 202 O CYS A 14 -6.018 4.212 6.836 1.00 0.00 O ATOM 203 CB CYS A 14 -5.485 6.684 4.481 1.00 0.00 C ATOM 204 SG CYS A 14 -3.992 5.717 4.158 1.00 0.00 S ATOM 0 H CYS A 14 -4.378 6.147 6.994 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.013 6.994 5.977 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.221 6.471 3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.244 7.745 4.409 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.520 5.260 5.280 1.00 0.00 H new ATOM 210 N LEU A 15 -7.300 4.519 5.011 1.00 0.00 N ATOM 211 CA LEU A 15 -7.735 3.149 4.892 1.00 0.00 C ATOM 212 C LEU A 15 -7.428 2.727 3.476 1.00 0.00 C ATOM 213 O LEU A 15 -7.311 3.578 2.599 1.00 0.00 O ATOM 214 CB LEU A 15 -9.231 3.017 5.179 1.00 0.00 C ATOM 215 CG LEU A 15 -9.618 3.034 6.659 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.118 3.182 6.808 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.144 1.768 7.358 1.00 0.00 C ATOM 0 H LEU A 15 -7.698 5.137 4.304 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.222 2.516 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.754 3.830 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.588 2.086 4.738 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.130 3.888 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.379 3.193 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.439 4.115 6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.617 2.345 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.431 1.804 8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.602 0.899 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.059 1.694 7.280 1.00 0.00 H new ATOM 229 N ALA A 16 -7.286 1.453 3.232 1.00 0.00 N ATOM 230 CA ALA A 16 -6.979 1.006 1.895 1.00 0.00 C ATOM 231 C ALA A 16 -7.528 -0.377 1.675 1.00 0.00 C ATOM 232 O ALA A 16 -7.504 -1.220 2.575 1.00 0.00 O ATOM 233 CB ALA A 16 -5.479 1.080 1.639 1.00 0.00 C ATOM 0 H ALA A 16 -7.376 0.713 3.928 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.458 1.667 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.266 0.739 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.141 2.110 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.956 0.444 2.353 1.00 0.00 H new ATOM 239 N PHE A 17 -8.046 -0.599 0.488 1.00 0.00 N ATOM 240 CA PHE A 17 -8.643 -1.868 0.151 1.00 0.00 C ATOM 241 C PHE A 17 -7.603 -2.909 -0.226 1.00 0.00 C ATOM 242 O PHE A 17 -7.047 -2.891 -1.326 1.00 0.00 O ATOM 243 CB PHE A 17 -9.650 -1.698 -0.982 1.00 0.00 C ATOM 244 CG PHE A 17 -10.993 -1.208 -0.517 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.279 0.149 -0.466 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.973 -2.110 -0.142 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.520 0.592 -0.049 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.213 -1.673 0.278 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.488 -0.321 0.322 1.00 0.00 C ATOM 0 H PHE A 17 -8.065 0.090 -0.264 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.158 -2.228 1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.248 -0.996 -1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.776 -2.653 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.525 0.866 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.765 -3.169 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.733 1.650 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.967 -2.388 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.459 0.023 0.646 1.00 0.00 H new ATOM 259 N HIS A 18 -7.337 -3.799 0.708 1.00 0.00 N ATOM 260 CA HIS A 18 -6.420 -4.892 0.481 1.00 0.00 C ATOM 261 C HIS A 18 -7.277 -6.119 0.246 1.00 0.00 C ATOM 262 O HIS A 18 -7.929 -6.623 1.166 1.00 0.00 O ATOM 263 CB HIS A 18 -5.474 -5.105 1.664 1.00 0.00 C ATOM 264 CG HIS A 18 -4.259 -5.912 1.316 1.00 0.00 C ATOM 265 ND1 HIS A 18 -3.964 -7.085 1.965 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.302 -5.670 0.384 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.841 -7.527 1.424 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.404 -6.703 0.462 1.00 0.00 N ATOM 0 H HIS A 18 -7.749 -3.784 1.641 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.778 -4.680 -0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.159 -4.134 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.015 -5.605 2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.257 -4.827 -0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.340 -8.437 1.720 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.564 -6.822 -0.104 1.00 0.00 H new ATOM 276 N GLY A 19 -7.322 -6.559 -0.997 1.00 0.00 N ATOM 277 CA GLY A 19 -8.152 -7.683 -1.339 1.00 0.00 C ATOM 278 C GLY A 19 -9.607 -7.261 -1.325 1.00 0.00 C ATOM 279 O GLY A 19 -10.010 -6.424 -2.130 1.00 0.00 O ATOM 0 H GLY A 19 -6.798 -6.157 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.882 -8.061 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.991 -8.496 -0.631 1.00 0.00 H new ATOM 283 N PRO A 20 -10.422 -7.819 -0.426 1.00 0.00 N ATOM 284 CA PRO A 20 -11.826 -7.475 -0.319 1.00 0.00 C ATOM 285 C PRO A 20 -12.164 -6.507 0.815 1.00 0.00 C ATOM 286 O PRO A 20 -13.306 -6.066 0.914 1.00 0.00 O ATOM 287 CB PRO A 20 -12.467 -8.824 -0.008 1.00 0.00 C ATOM 288 CG PRO A 20 -11.372 -9.685 0.573 1.00 0.00 C ATOM 289 CD PRO A 20 -10.082 -8.896 0.500 1.00 0.00 C ATOM 0 HA PRO A 20 -12.165 -6.969 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.290 -8.711 0.698 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.881 -9.276 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.601 -9.950 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.282 -10.618 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.785 -8.513 1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.255 -9.503 0.131 1.00 0.00 H new ATOM 297 N LEU A 21 -11.202 -6.156 1.667 1.00 0.00 N ATOM 298 CA LEU A 21 -11.531 -5.290 2.796 1.00 0.00 C ATOM 299 C LEU A 21 -10.675 -4.041 2.925 1.00 0.00 C ATOM 300 O LEU A 21 -9.648 -3.874 2.273 1.00 0.00 O ATOM 301 CB LEU A 21 -11.469 -6.078 4.104 1.00 0.00 C ATOM 302 CG LEU A 21 -12.709 -6.918 4.404 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.716 -7.372 5.852 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.973 -6.134 4.106 1.00 0.00 C ATOM 0 H LEU A 21 -10.226 -6.444 1.603 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.543 -4.940 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.600 -6.735 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.313 -5.379 4.926 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.679 -7.797 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.608 -7.968 6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.829 -7.974 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.716 -6.500 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.844 -6.751 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.998 -5.236 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.986 -5.851 3.053 1.00 0.00 H new ATOM 316 N MET A 22 -11.148 -3.174 3.810 1.00 0.00 N ATOM 317 CA MET A 22 -10.504 -1.915 4.131 1.00 0.00 C ATOM 318 C MET A 22 -9.578 -2.107 5.324 1.00 0.00 C ATOM 319 O MET A 22 -10.025 -2.494 6.402 1.00 0.00 O ATOM 320 CB MET A 22 -11.569 -0.866 4.483 1.00 0.00 C ATOM 321 CG MET A 22 -11.467 0.408 3.661 1.00 0.00 C ATOM 322 SD MET A 22 -12.775 1.588 4.053 1.00 0.00 S ATOM 323 CE MET A 22 -14.236 0.672 3.561 1.00 0.00 C ATOM 0 H MET A 22 -12.009 -3.333 4.334 1.00 0.00 H new ATOM 0 HA MET A 22 -9.928 -1.576 3.270 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.557 -1.302 4.339 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.482 -0.614 5.540 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.497 0.874 3.837 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.513 0.158 2.601 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.831 1.276 2.876 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.937 -0.251 3.064 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.830 0.433 4.443 1.00 0.00 H new ATOM 333 N TYR A 23 -8.296 -1.848 5.138 1.00 0.00 N ATOM 334 CA TYR A 23 -7.329 -2.003 6.220 1.00 0.00 C ATOM 335 C TYR A 23 -6.719 -0.659 6.604 1.00 0.00 C ATOM 336 O TYR A 23 -6.564 0.223 5.756 1.00 0.00 O ATOM 337 CB TYR A 23 -6.225 -2.985 5.813 1.00 0.00 C ATOM 338 CG TYR A 23 -6.677 -4.423 5.729 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.529 -5.275 6.811 1.00 0.00 C ATOM 340 CD2 TYR A 23 -7.246 -4.929 4.567 1.00 0.00 C ATOM 341 CE1 TYR A 23 -6.933 -6.593 6.741 1.00 0.00 C ATOM 342 CE2 TYR A 23 -7.654 -6.244 4.486 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.496 -7.074 5.573 1.00 0.00 C ATOM 344 OH TYR A 23 -7.900 -8.387 5.493 1.00 0.00 O ATOM 0 H TYR A 23 -7.898 -1.531 4.254 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.855 -2.401 7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.825 -2.684 4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.408 -2.914 6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.090 -4.902 7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.371 -4.281 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.810 -7.245 7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.095 -6.621 3.575 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.275 -8.560 4.604 1.00 0.00 H new ATOM 354 N GLU A 24 -6.404 -0.502 7.886 1.00 0.00 N ATOM 355 CA GLU A 24 -5.802 0.724 8.399 1.00 0.00 C ATOM 356 C GLU A 24 -4.416 0.923 7.804 1.00 0.00 C ATOM 357 O GLU A 24 -3.634 -0.023 7.711 1.00 0.00 O ATOM 358 CB GLU A 24 -5.700 0.669 9.922 1.00 0.00 C ATOM 359 CG GLU A 24 -7.039 0.521 10.624 1.00 0.00 C ATOM 360 CD GLU A 24 -7.383 -0.923 10.945 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.774 -1.206 12.092 1.00 0.00 O ATOM 362 OE2 GLU A 24 -7.307 -1.781 10.039 1.00 0.00 O ATOM 0 H GLU A 24 -6.558 -1.218 8.596 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.437 1.562 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.059 -0.167 10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.213 1.578 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.025 1.100 11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.822 0.944 9.995 1.00 0.00 H new ATOM 369 N ALA A 25 -4.102 2.149 7.412 1.00 0.00 N ATOM 370 CA ALA A 25 -2.809 2.428 6.817 1.00 0.00 C ATOM 371 C ALA A 25 -2.269 3.799 7.204 1.00 0.00 C ATOM 372 O ALA A 25 -3.026 4.720 7.523 1.00 0.00 O ATOM 373 CB ALA A 25 -2.916 2.323 5.308 1.00 0.00 C ATOM 0 H ALA A 25 -4.719 2.957 7.495 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.105 1.689 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.945 2.532 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.233 1.316 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.647 3.045 4.944 1.00 0.00 H new ATOM 379 N LYS A 26 -0.949 3.900 7.204 1.00 0.00 N ATOM 380 CA LYS A 26 -0.259 5.142 7.492 1.00 0.00 C ATOM 381 C LYS A 26 0.632 5.458 6.304 1.00 0.00 C ATOM 382 O LYS A 26 1.594 4.735 6.035 1.00 0.00 O ATOM 383 CB LYS A 26 0.578 5.033 8.773 1.00 0.00 C ATOM 384 CG LYS A 26 0.939 6.388 9.360 1.00 0.00 C ATOM 385 CD LYS A 26 1.860 6.263 10.566 1.00 0.00 C ATOM 386 CE LYS A 26 3.306 6.030 10.148 1.00 0.00 C ATOM 387 NZ LYS A 26 4.263 6.468 11.199 1.00 0.00 N ATOM 0 H LYS A 26 -0.326 3.118 7.003 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.985 5.938 7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.025 4.457 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.493 4.480 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.423 6.996 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.028 6.910 9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.797 7.170 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.526 5.438 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.457 4.971 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.509 6.571 9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.236 6.293 10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.136 7.484 11.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.086 5.934 12.074 1.00 0.00 H new ATOM 401 N ILE A 27 0.284 6.506 5.579 1.00 0.00 N ATOM 402 CA ILE A 27 1.029 6.892 4.389 1.00 0.00 C ATOM 403 C ILE A 27 2.404 7.435 4.727 1.00 0.00 C ATOM 404 O ILE A 27 2.553 8.361 5.517 1.00 0.00 O ATOM 405 CB ILE A 27 0.253 7.926 3.551 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.156 7.412 3.256 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.991 8.207 2.252 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.206 8.495 3.185 1.00 0.00 C ATOM 0 H ILE A 27 -0.511 7.108 5.792 1.00 0.00 H new ATOM 0 HA ILE A 27 1.158 5.984 3.800 1.00 0.00 H new ATOM 0 HB ILE A 27 0.177 8.853 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.143 6.871 2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.439 6.697 4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.433 8.939 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.983 8.600 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.086 7.284 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.177 8.047 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.250 9.022 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.950 9.199 2.393 1.00 0.00 H new ATOM 420 N LEU A 28 3.405 6.842 4.107 1.00 0.00 N ATOM 421 CA LEU A 28 4.778 7.235 4.312 1.00 0.00 C ATOM 422 C LEU A 28 5.231 8.165 3.200 1.00 0.00 C ATOM 423 O LEU A 28 6.033 9.065 3.420 1.00 0.00 O ATOM 424 CB LEU A 28 5.673 6.002 4.363 1.00 0.00 C ATOM 425 CG LEU A 28 6.748 6.055 5.435 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.207 5.538 6.760 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.981 5.273 5.001 1.00 0.00 C ATOM 0 H LEU A 28 3.285 6.074 3.447 1.00 0.00 H new ATOM 0 HA LEU A 28 4.853 7.765 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.051 5.123 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.151 5.873 3.392 1.00 0.00 H new ATOM 0 HG LEU A 28 7.045 7.094 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.991 5.584 7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.364 6.154 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.878 4.506 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.738 5.324 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.709 4.232 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.379 5.703 4.082 1.00 0.00 H new ATOM 439 N LYS A 29 4.731 7.940 1.997 1.00 0.00 N ATOM 440 CA LYS A 29 5.100 8.784 0.875 1.00 0.00 C ATOM 441 C LYS A 29 3.913 9.041 -0.038 1.00 0.00 C ATOM 442 O LYS A 29 3.034 8.194 -0.194 1.00 0.00 O ATOM 443 CB LYS A 29 6.226 8.167 0.040 1.00 0.00 C ATOM 444 CG LYS A 29 6.908 6.964 0.669 1.00 0.00 C ATOM 445 CD LYS A 29 8.059 6.474 -0.196 1.00 0.00 C ATOM 446 CE LYS A 29 8.867 5.405 0.513 1.00 0.00 C ATOM 447 NZ LYS A 29 10.072 5.003 -0.262 1.00 0.00 N ATOM 0 H LYS A 29 4.077 7.190 1.774 1.00 0.00 H new ATOM 0 HA LYS A 29 5.446 9.724 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.820 7.871 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.978 8.933 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.280 7.229 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.184 6.161 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.669 6.076 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.707 7.313 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.173 5.773 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.239 4.531 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.260 3.991 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.908 5.179 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.891 5.558 0.058 1.00 0.00 H new ATOM 461 N ILE A 30 3.916 10.210 -0.645 1.00 0.00 N ATOM 462 CA ILE A 30 2.873 10.620 -1.572 1.00 0.00 C ATOM 463 C ILE A 30 3.407 10.467 -2.972 1.00 0.00 C ATOM 464 O ILE A 30 4.607 10.514 -3.166 1.00 0.00 O ATOM 465 CB ILE A 30 2.429 12.088 -1.331 1.00 0.00 C ATOM 466 CG1 ILE A 30 2.166 12.332 0.153 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.199 12.422 -2.160 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.364 11.237 0.802 1.00 0.00 C ATOM 0 H ILE A 30 4.646 10.910 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 30 1.995 9.992 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 30 3.238 12.747 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.119 12.432 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.638 13.278 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.905 13.455 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.427 12.293 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.381 11.757 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.213 11.472 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.397 11.152 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.901 10.292 0.715 1.00 0.00 H new ATOM 480 N TRP A 31 2.544 10.266 -3.943 1.00 0.00 N ATOM 481 CA TRP A 31 3.006 10.091 -5.298 1.00 0.00 C ATOM 482 C TRP A 31 2.267 10.982 -6.277 1.00 0.00 C ATOM 483 O TRP A 31 1.039 10.924 -6.358 1.00 0.00 O ATOM 484 CB TRP A 31 2.791 8.660 -5.724 1.00 0.00 C ATOM 485 CG TRP A 31 3.035 8.465 -7.172 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.122 8.430 -8.174 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.291 8.309 -7.771 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.752 8.222 -9.373 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.089 8.141 -9.145 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.571 8.286 -7.262 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.128 7.943 -10.022 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.610 8.089 -8.129 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.382 7.920 -9.500 1.00 0.00 C ATOM 0 H TRP A 31 1.532 10.220 -3.821 1.00 0.00 H new ATOM 0 HA TRP A 31 4.063 10.357 -5.311 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.455 8.009 -5.155 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.770 8.361 -5.486 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.056 8.549 -8.046 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.295 8.142 -10.281 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.749 8.420 -6.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.955 7.811 -11.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.621 8.063 -7.751 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.224 7.768 -10.159 1.00 0.00 H new ATOM 504 N ASP A 32 3.016 11.747 -7.058 1.00 0.00 N ATOM 505 CA ASP A 32 2.426 12.618 -8.060 1.00 0.00 C ATOM 506 C ASP A 32 2.712 12.063 -9.456 1.00 0.00 C ATOM 507 O ASP A 32 3.847 12.113 -9.940 1.00 0.00 O ATOM 508 CB ASP A 32 2.962 14.042 -7.933 1.00 0.00 C ATOM 509 CG ASP A 32 2.018 15.041 -8.555 1.00 0.00 C ATOM 510 OD1 ASP A 32 0.895 15.209 -8.029 1.00 0.00 O ATOM 511 OD2 ASP A 32 2.377 15.647 -9.580 1.00 0.00 O ATOM 0 H ASP A 32 4.035 11.781 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 32 1.348 12.652 -7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.110 14.285 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.937 14.110 -8.416 1.00 0.00 H new ATOM 516 N PRO A 33 1.672 11.551 -10.136 1.00 0.00 N ATOM 517 CA PRO A 33 1.797 10.937 -11.470 1.00 0.00 C ATOM 518 C PRO A 33 1.947 11.945 -12.607 1.00 0.00 C ATOM 519 O PRO A 33 1.762 11.606 -13.773 1.00 0.00 O ATOM 520 CB PRO A 33 0.480 10.182 -11.614 1.00 0.00 C ATOM 521 CG PRO A 33 -0.491 10.995 -10.836 1.00 0.00 C ATOM 522 CD PRO A 33 0.276 11.541 -9.661 1.00 0.00 C ATOM 0 HA PRO A 33 2.695 10.323 -11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.182 10.097 -12.659 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.557 9.168 -11.221 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.901 11.802 -11.444 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.333 10.387 -10.505 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.063 12.541 -9.390 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.157 10.914 -8.778 1.00 0.00 H new ATOM 530 N SER A 34 2.303 13.166 -12.271 1.00 0.00 N ATOM 531 CA SER A 34 2.466 14.200 -13.278 1.00 0.00 C ATOM 532 C SER A 34 3.922 14.273 -13.687 1.00 0.00 C ATOM 533 O SER A 34 4.252 14.371 -14.870 1.00 0.00 O ATOM 534 CB SER A 34 1.987 15.555 -12.753 1.00 0.00 C ATOM 535 OG SER A 34 1.017 15.391 -11.735 1.00 0.00 O ATOM 0 H SER A 34 2.485 13.469 -11.314 1.00 0.00 H new ATOM 0 HA SER A 34 1.858 13.948 -14.147 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.835 16.119 -12.365 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.565 16.138 -13.572 1.00 0.00 H new ATOM 0 HG SER A 34 1.339 15.804 -10.907 1.00 0.00 H new ATOM 541 N SER A 35 4.786 14.209 -12.691 1.00 0.00 N ATOM 542 CA SER A 35 6.210 14.259 -12.902 1.00 0.00 C ATOM 543 C SER A 35 6.812 12.884 -12.646 1.00 0.00 C ATOM 544 O SER A 35 7.906 12.585 -13.123 1.00 0.00 O ATOM 545 CB SER A 35 6.796 15.296 -11.955 1.00 0.00 C ATOM 546 OG SER A 35 6.126 15.250 -10.700 1.00 0.00 O ATOM 0 H SER A 35 4.513 14.121 -11.712 1.00 0.00 H new ATOM 0 HA SER A 35 6.438 14.540 -13.930 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.861 15.110 -11.814 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.701 16.291 -12.390 1.00 0.00 H new ATOM 0 HG SER A 35 6.512 15.920 -10.098 1.00 0.00 H new ATOM 552 N LYS A 36 6.085 12.079 -11.849 1.00 0.00 N ATOM 553 CA LYS A 36 6.462 10.716 -11.490 1.00 0.00 C ATOM 554 C LYS A 36 7.437 10.797 -10.319 1.00 0.00 C ATOM 555 O LYS A 36 8.300 9.948 -10.065 1.00 0.00 O ATOM 556 CB LYS A 36 6.969 9.909 -12.703 1.00 0.00 C ATOM 557 CG LYS A 36 8.460 9.715 -12.750 1.00 0.00 C ATOM 558 CD LYS A 36 8.857 8.600 -13.699 1.00 0.00 C ATOM 559 CE LYS A 36 8.403 7.240 -13.195 1.00 0.00 C ATOM 560 NZ LYS A 36 8.549 6.191 -14.236 1.00 0.00 N ATOM 0 H LYS A 36 5.202 12.373 -11.432 1.00 0.00 H new ATOM 0 HA LYS A 36 5.591 10.146 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.489 8.930 -12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.653 10.414 -13.616 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.937 10.644 -13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.828 9.488 -11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.423 8.787 -14.681 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.940 8.598 -13.824 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.986 6.964 -12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.361 7.298 -12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.229 5.277 -13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.973 6.442 -15.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.547 6.118 -14.518 1.00 0.00 H new ATOM 574 N MET A 37 7.231 11.858 -9.590 1.00 0.00 N ATOM 575 CA MET A 37 7.957 12.164 -8.413 1.00 0.00 C ATOM 576 C MET A 37 7.039 11.851 -7.244 1.00 0.00 C ATOM 577 O MET A 37 5.817 11.903 -7.377 1.00 0.00 O ATOM 578 CB MET A 37 8.371 13.647 -8.437 1.00 0.00 C ATOM 579 CG MET A 37 9.557 13.915 -9.349 1.00 0.00 C ATOM 580 SD MET A 37 9.431 15.429 -10.335 1.00 0.00 S ATOM 581 CE MET A 37 9.210 16.689 -9.087 1.00 0.00 C ATOM 0 H MET A 37 6.522 12.554 -9.818 1.00 0.00 H new ATOM 0 HA MET A 37 8.873 11.580 -8.330 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.524 14.250 -8.764 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.618 13.967 -7.425 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.460 13.968 -8.741 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.677 13.068 -10.024 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.538 17.651 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.157 16.749 -8.813 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.800 16.436 -8.206 1.00 0.00 H new ATOM 591 N TYR A 38 7.607 11.536 -6.115 1.00 0.00 N ATOM 592 CA TYR A 38 6.834 11.180 -4.953 1.00 0.00 C ATOM 593 C TYR A 38 7.382 11.944 -3.759 1.00 0.00 C ATOM 594 O TYR A 38 8.555 12.325 -3.755 1.00 0.00 O ATOM 595 CB TYR A 38 6.888 9.664 -4.702 1.00 0.00 C ATOM 596 CG TYR A 38 8.260 9.110 -4.413 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.660 8.847 -3.110 1.00 0.00 C ATOM 598 CD2 TYR A 38 9.146 8.836 -5.442 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.907 8.325 -2.841 1.00 0.00 C ATOM 600 CE2 TYR A 38 10.396 8.318 -5.184 1.00 0.00 C ATOM 601 CZ TYR A 38 10.774 8.063 -3.881 1.00 0.00 C ATOM 602 OH TYR A 38 12.020 7.542 -3.617 1.00 0.00 O ATOM 0 H TYR A 38 8.617 11.518 -5.971 1.00 0.00 H new ATOM 0 HA TYR A 38 5.789 11.445 -5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.234 9.427 -3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.484 9.153 -5.576 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.983 9.055 -2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.852 9.032 -6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.203 8.122 -1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 38 11.077 8.112 -5.997 1.00 0.00 H new ATOM 0 HH TYR A 38 12.506 7.415 -4.458 1.00 0.00 H new ATOM 612 N THR A 39 6.563 12.190 -2.760 1.00 0.00 N ATOM 613 CA THR A 39 7.039 12.906 -1.600 1.00 0.00 C ATOM 614 C THR A 39 6.945 12.029 -0.366 1.00 0.00 C ATOM 615 O THR A 39 5.867 11.747 0.147 1.00 0.00 O ATOM 616 CB THR A 39 6.307 14.239 -1.391 1.00 0.00 C ATOM 617 OG1 THR A 39 5.056 14.053 -0.715 1.00 0.00 O ATOM 618 CG2 THR A 39 6.065 14.930 -2.717 1.00 0.00 C ATOM 0 H THR A 39 5.583 11.911 -2.727 1.00 0.00 H new ATOM 0 HA THR A 39 8.086 13.154 -1.776 1.00 0.00 H new ATOM 0 HB THR A 39 6.947 14.864 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.937 13.104 -0.503 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.545 15.873 -2.546 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.020 15.125 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.456 14.290 -3.355 1.00 0.00 H new ATOM 626 N SER A 40 8.093 11.612 0.104 1.00 0.00 N ATOM 627 CA SER A 40 8.182 10.716 1.246 1.00 0.00 C ATOM 628 C SER A 40 8.303 11.465 2.568 1.00 0.00 C ATOM 629 O SER A 40 8.247 12.689 2.616 1.00 0.00 O ATOM 630 CB SER A 40 9.388 9.790 1.055 1.00 0.00 C ATOM 631 OG SER A 40 9.279 8.627 1.856 1.00 0.00 O ATOM 0 H SER A 40 8.996 11.879 -0.288 1.00 0.00 H new ATOM 0 HA SER A 40 7.259 10.139 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.467 9.505 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.303 10.325 1.310 1.00 0.00 H new ATOM 0 HG SER A 40 10.062 8.055 1.711 1.00 0.00 H new ATOM 637 N ILE A 41 8.369 10.714 3.647 1.00 0.00 N ATOM 638 CA ILE A 41 8.556 11.285 4.958 1.00 0.00 C ATOM 639 C ILE A 41 9.678 10.530 5.659 1.00 0.00 C ATOM 640 O ILE A 41 9.923 9.361 5.347 1.00 0.00 O ATOM 641 CB ILE A 41 7.267 11.227 5.822 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.943 9.782 6.230 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.095 11.853 5.083 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.822 9.670 7.243 1.00 0.00 C ATOM 0 H ILE A 41 8.295 9.697 3.638 1.00 0.00 H new ATOM 0 HA ILE A 41 8.809 12.338 4.836 1.00 0.00 H new ATOM 0 HB ILE A 41 7.444 11.802 6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.673 9.214 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.840 9.321 6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.202 11.802 5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.321 12.895 4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.920 11.311 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.651 8.620 7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.096 10.208 8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.911 10.101 6.827 1.00 0.00 H new ATOM 846 N ILE A 56 12.128 17.083 1.977 1.00 0.00 N ATOM 847 CA ILE A 56 11.449 16.091 1.172 1.00 0.00 C ATOM 848 C ILE A 56 10.609 16.773 0.114 1.00 0.00 C ATOM 849 O ILE A 56 9.503 17.251 0.375 1.00 0.00 O ATOM 850 CB ILE A 56 10.553 15.149 1.978 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.255 14.655 3.249 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.177 13.990 1.085 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.483 13.812 2.982 1.00 0.00 C ATOM 0 HA ILE A 56 12.234 15.483 0.723 1.00 0.00 H new ATOM 0 HB ILE A 56 9.659 15.682 2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.542 15.516 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.548 14.073 3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.537 13.300 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.643 14.363 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.080 13.470 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.924 13.501 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.201 12.931 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.210 14.397 2.418 1.00 0.00 H new ATOM 865 N LYS A 57 11.169 16.843 -1.069 1.00 0.00 N ATOM 866 CA LYS A 57 10.500 17.438 -2.202 1.00 0.00 C ATOM 867 C LYS A 57 10.133 16.315 -3.145 1.00 0.00 C ATOM 868 O LYS A 57 10.663 15.212 -3.004 1.00 0.00 O ATOM 869 CB LYS A 57 11.407 18.479 -2.889 1.00 0.00 C ATOM 870 CG LYS A 57 12.623 17.899 -3.615 1.00 0.00 C ATOM 871 CD LYS A 57 13.692 17.401 -2.647 1.00 0.00 C ATOM 872 CE LYS A 57 14.049 18.456 -1.608 1.00 0.00 C ATOM 873 NZ LYS A 57 15.059 19.428 -2.105 1.00 0.00 N ATOM 0 H LYS A 57 12.103 16.489 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 57 9.603 17.970 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.810 19.043 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.755 19.188 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.303 17.076 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.052 18.661 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.337 16.501 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.586 17.123 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.147 18.993 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.432 17.965 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.267 20.124 -1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.931 18.922 -2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.686 19.918 -2.943 1.00 0.00 H new ATOM 887 N PRO A 58 9.205 16.537 -4.080 1.00 0.00 N ATOM 888 CA PRO A 58 8.813 15.501 -5.029 1.00 0.00 C ATOM 889 C PRO A 58 10.033 14.933 -5.754 1.00 0.00 C ATOM 890 O PRO A 58 10.621 15.579 -6.621 1.00 0.00 O ATOM 891 CB PRO A 58 7.869 16.223 -6.001 1.00 0.00 C ATOM 892 CG PRO A 58 8.037 17.683 -5.724 1.00 0.00 C ATOM 893 CD PRO A 58 8.463 17.791 -4.292 1.00 0.00 C ATOM 0 HA PRO A 58 8.336 14.648 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.120 15.990 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.836 15.912 -5.846 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.784 18.121 -6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.105 18.221 -5.894 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.090 18.666 -4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.609 17.874 -3.620 1.00 0.00 H new ATOM 901 N GLN A 59 10.421 13.727 -5.369 1.00 0.00 N ATOM 902 CA GLN A 59 11.582 13.067 -5.952 1.00 0.00 C ATOM 903 C GLN A 59 11.153 12.017 -6.959 1.00 0.00 C ATOM 904 O GLN A 59 10.255 11.228 -6.694 1.00 0.00 O ATOM 905 CB GLN A 59 12.435 12.429 -4.854 1.00 0.00 C ATOM 906 CG GLN A 59 13.246 13.438 -4.057 1.00 0.00 C ATOM 907 CD GLN A 59 13.250 13.148 -2.569 1.00 0.00 C ATOM 908 OE1 GLN A 59 13.353 14.060 -1.746 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.145 11.878 -2.210 1.00 0.00 N ATOM 0 H GLN A 59 9.946 13.181 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 59 12.179 13.817 -6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.786 11.877 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.113 11.704 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.272 13.443 -4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.842 14.436 -4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.062 11.152 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.148 11.625 -1.222 1.00 0.00 H new ATOM 918 N LYS A 60 11.793 12.032 -8.119 1.00 0.00 N ATOM 919 CA LYS A 60 11.500 11.090 -9.184 1.00 0.00 C ATOM 920 C LYS A 60 11.852 9.687 -8.748 1.00 0.00 C ATOM 921 O LYS A 60 12.812 9.486 -8.002 1.00 0.00 O ATOM 922 CB LYS A 60 12.298 11.440 -10.442 1.00 0.00 C ATOM 923 CG LYS A 60 11.488 12.138 -11.521 1.00 0.00 C ATOM 924 CD LYS A 60 12.303 12.304 -12.788 1.00 0.00 C ATOM 925 CE LYS A 60 11.522 13.036 -13.866 1.00 0.00 C ATOM 926 NZ LYS A 60 12.311 13.178 -15.113 1.00 0.00 N ATOM 0 H LYS A 60 12.530 12.699 -8.347 1.00 0.00 H new ATOM 0 HA LYS A 60 10.435 11.147 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.135 12.079 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.721 10.525 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.588 11.562 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.163 13.115 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.217 12.854 -12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.604 11.324 -13.158 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.600 12.495 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.236 14.023 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.746 13.682 -15.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.179 13.716 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.562 12.236 -15.474 1.00 0.00 H new ATOM 940 N LEU A 61 11.054 8.734 -9.184 1.00 0.00 N ATOM 941 CA LEU A 61 11.298 7.339 -8.863 1.00 0.00 C ATOM 942 C LEU A 61 12.690 6.917 -9.311 1.00 0.00 C ATOM 943 O LEU A 61 12.971 6.849 -10.504 1.00 0.00 O ATOM 944 CB LEU A 61 10.251 6.456 -9.530 1.00 0.00 C ATOM 945 CG LEU A 61 8.964 6.276 -8.746 1.00 0.00 C ATOM 946 CD1 LEU A 61 8.127 5.171 -9.361 1.00 0.00 C ATOM 947 CD2 LEU A 61 9.260 5.971 -7.301 1.00 0.00 C ATOM 0 H LEU A 61 10.230 8.898 -9.762 1.00 0.00 H new ATOM 0 HA LEU A 61 11.231 7.221 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.008 6.880 -10.504 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.688 5.474 -9.710 1.00 0.00 H new ATOM 0 HG LEU A 61 8.399 7.207 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.206 5.051 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.884 5.430 -10.392 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.689 4.237 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.324 5.846 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.844 5.053 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.826 6.793 -6.864 1.00 0.00 H new ATOM 959 N GLY A 62 13.544 6.618 -8.344 1.00 0.00 N ATOM 960 CA GLY A 62 14.904 6.213 -8.650 1.00 0.00 C ATOM 961 C GLY A 62 15.005 4.763 -9.091 1.00 0.00 C ATOM 962 O GLY A 62 16.066 4.155 -8.977 1.00 0.00 O ATOM 0 H GLY A 62 13.321 6.648 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.300 6.855 -9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.529 6.364 -7.770 1.00 0.00 H new ATOM 966 N GLU A 63 13.891 4.215 -9.591 1.00 0.00 N ATOM 967 CA GLU A 63 13.822 2.825 -10.063 1.00 0.00 C ATOM 968 C GLU A 63 14.202 1.842 -8.963 1.00 0.00 C ATOM 969 O GLU A 63 14.549 0.693 -9.219 1.00 0.00 O ATOM 970 CB GLU A 63 14.706 2.637 -11.292 1.00 0.00 C ATOM 971 CG GLU A 63 14.515 3.740 -12.315 1.00 0.00 C ATOM 972 CD GLU A 63 14.936 3.329 -13.707 1.00 0.00 C ATOM 973 OE1 GLU A 63 14.058 3.212 -14.587 1.00 0.00 O ATOM 974 OE2 GLU A 63 16.149 3.125 -13.930 1.00 0.00 O ATOM 0 H GLU A 63 13.011 4.722 -9.680 1.00 0.00 H new ATOM 0 HA GLU A 63 12.790 2.616 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.751 2.608 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.483 1.675 -11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.466 4.037 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.089 4.615 -12.010 1.00 0.00 H new ATOM 981 N ASP A 64 14.115 2.317 -7.739 1.00 0.00 N ATOM 982 CA ASP A 64 14.419 1.508 -6.562 1.00 0.00 C ATOM 983 C ASP A 64 13.122 1.245 -5.825 1.00 0.00 C ATOM 984 O ASP A 64 12.973 0.285 -5.067 1.00 0.00 O ATOM 985 CB ASP A 64 15.410 2.251 -5.661 1.00 0.00 C ATOM 986 CG ASP A 64 15.723 1.508 -4.378 1.00 0.00 C ATOM 987 OD1 ASP A 64 15.384 2.018 -3.291 1.00 0.00 O ATOM 988 OD2 ASP A 64 16.321 0.418 -4.450 1.00 0.00 O ATOM 0 H ASP A 64 13.832 3.273 -7.524 1.00 0.00 H new ATOM 0 HA ASP A 64 14.875 0.562 -6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.336 2.419 -6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.003 3.232 -5.415 1.00 0.00 H new ATOM 993 N GLU A 65 12.178 2.121 -6.107 1.00 0.00 N ATOM 994 CA GLU A 65 10.860 2.083 -5.526 1.00 0.00 C ATOM 995 C GLU A 65 9.970 1.091 -6.259 1.00 0.00 C ATOM 996 O GLU A 65 9.436 0.161 -5.658 1.00 0.00 O ATOM 997 CB GLU A 65 10.274 3.477 -5.607 1.00 0.00 C ATOM 998 CG GLU A 65 11.017 4.498 -4.765 1.00 0.00 C ATOM 999 CD GLU A 65 10.825 4.289 -3.281 1.00 0.00 C ATOM 1000 OE1 GLU A 65 9.701 4.502 -2.790 1.00 0.00 O ATOM 1001 OE2 GLU A 65 11.802 3.930 -2.596 1.00 0.00 O ATOM 0 H GLU A 65 12.313 2.893 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 65 10.923 1.757 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.278 3.804 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.232 3.443 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.080 4.449 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.677 5.498 -5.033 1.00 0.00 H new ATOM 1008 N SER A 66 9.846 1.301 -7.564 1.00 0.00 N ATOM 1009 CA SER A 66 9.033 0.461 -8.438 1.00 0.00 C ATOM 1010 C SER A 66 7.569 0.431 -7.995 1.00 0.00 C ATOM 1011 O SER A 66 7.177 -0.311 -7.092 1.00 0.00 O ATOM 1012 CB SER A 66 9.600 -0.957 -8.506 1.00 0.00 C ATOM 1013 OG SER A 66 11.019 -0.947 -8.445 1.00 0.00 O ATOM 0 H SER A 66 10.311 2.067 -8.051 1.00 0.00 H new ATOM 0 HA SER A 66 9.067 0.900 -9.435 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.202 -1.550 -7.683 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.277 -1.437 -9.430 1.00 0.00 H new ATOM 0 HG SER A 66 11.355 -1.867 -8.489 1.00 0.00 H new ATOM 1019 N ILE A 67 6.773 1.246 -8.650 1.00 0.00 N ATOM 1020 CA ILE A 67 5.351 1.342 -8.357 1.00 0.00 C ATOM 1021 C ILE A 67 4.527 0.574 -9.380 1.00 0.00 C ATOM 1022 O ILE A 67 4.847 0.586 -10.572 1.00 0.00 O ATOM 1023 CB ILE A 67 4.893 2.816 -8.372 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.702 3.614 -7.361 1.00 0.00 C ATOM 1025 CG2 ILE A 67 3.400 2.947 -8.090 1.00 0.00 C ATOM 1026 CD1 ILE A 67 5.340 5.074 -7.339 1.00 0.00 C ATOM 0 H ILE A 67 7.087 1.862 -9.400 1.00 0.00 H new ATOM 0 HA ILE A 67 5.195 0.912 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 67 5.068 3.216 -9.371 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.549 3.192 -6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.763 3.512 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.117 3.999 -8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.837 2.406 -8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.177 2.529 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.951 5.589 -6.598 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.519 5.508 -8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.287 5.184 -7.080 1.00 0.00 H new ATOM 1038 N PRO A 68 3.479 -0.140 -8.925 1.00 0.00 N ATOM 1039 CA PRO A 68 2.577 -0.862 -9.818 1.00 0.00 C ATOM 1040 C PRO A 68 2.032 0.073 -10.895 1.00 0.00 C ATOM 1041 O PRO A 68 1.463 1.125 -10.590 1.00 0.00 O ATOM 1042 CB PRO A 68 1.458 -1.343 -8.889 1.00 0.00 C ATOM 1043 CG PRO A 68 2.096 -1.433 -7.548 1.00 0.00 C ATOM 1044 CD PRO A 68 3.118 -0.331 -7.506 1.00 0.00 C ATOM 0 HA PRO A 68 3.063 -1.682 -10.348 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.620 -0.646 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.066 -2.309 -9.207 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.358 -1.312 -6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.564 -2.406 -7.402 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.708 0.580 -7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.984 -0.610 -6.906 1.00 0.00 H new ATOM 1052 N GLU A 69 2.201 -0.311 -12.152 1.00 0.00 N ATOM 1053 CA GLU A 69 1.766 0.516 -13.274 1.00 0.00 C ATOM 1054 C GLU A 69 0.243 0.598 -13.378 1.00 0.00 C ATOM 1055 O GLU A 69 -0.296 1.241 -14.276 1.00 0.00 O ATOM 1056 CB GLU A 69 2.380 -0.006 -14.571 1.00 0.00 C ATOM 1057 CG GLU A 69 3.901 0.039 -14.562 1.00 0.00 C ATOM 1058 CD GLU A 69 4.519 -0.402 -15.871 1.00 0.00 C ATOM 1059 OE1 GLU A 69 4.359 -1.581 -16.243 1.00 0.00 O ATOM 1060 OE2 GLU A 69 5.184 0.425 -16.524 1.00 0.00 O ATOM 0 H GLU A 69 2.637 -1.192 -12.423 1.00 0.00 H new ATOM 0 HA GLU A 69 2.118 1.532 -13.097 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.052 -1.032 -14.736 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.008 0.585 -15.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.227 1.055 -14.338 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.272 -0.599 -13.760 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.437 -0.038 -12.439 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.892 -0.027 -12.394 1.00 0.00 C ATOM 1069 C GLU A 70 -2.387 1.091 -11.482 1.00 0.00 C ATOM 1070 O GLU A 70 -3.580 1.407 -11.456 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.411 -1.376 -11.888 1.00 0.00 C ATOM 1072 CG GLU A 70 -1.551 -1.980 -10.786 1.00 0.00 C ATOM 1073 CD GLU A 70 -2.253 -3.088 -10.026 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -2.936 -3.917 -10.663 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -2.124 -3.130 -8.787 1.00 0.00 O ATOM 0 H GLU A 70 -0.000 -0.574 -11.689 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.269 0.148 -13.402 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.428 -1.250 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.461 -2.074 -12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.633 -2.372 -11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.261 -1.195 -10.087 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.465 1.691 -10.730 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.817 2.759 -9.796 1.00 0.00 C ATOM 1084 C ILE A 71 -0.924 3.993 -9.970 1.00 0.00 C ATOM 1085 O ILE A 71 -1.320 5.103 -9.624 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.696 2.270 -8.331 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.223 2.051 -7.967 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.488 0.986 -8.130 1.00 0.00 C ATOM 1089 CD1 ILE A 71 0.012 1.752 -6.507 1.00 0.00 C ATOM 0 H ILE A 71 -0.472 1.457 -10.749 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.848 3.035 -10.017 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.109 3.035 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.169 1.227 -8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.344 2.941 -8.241 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.391 0.657 -7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.539 1.167 -8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.102 0.213 -8.794 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.078 1.610 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.347 2.585 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.525 0.845 -6.230 1.00 0.00 H new ATOM 1101 N ILE A 72 0.272 3.774 -10.516 1.00 0.00 N ATOM 1102 CA ILE A 72 1.281 4.822 -10.733 1.00 0.00 C ATOM 1103 C ILE A 72 0.741 6.052 -11.454 1.00 0.00 C ATOM 1104 O ILE A 72 1.202 7.167 -11.224 1.00 0.00 O ATOM 1105 CB ILE A 72 2.461 4.234 -11.523 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.696 5.146 -11.444 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.071 3.932 -12.972 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.907 6.030 -12.660 1.00 0.00 C ATOM 0 H ILE A 72 0.576 2.851 -10.826 1.00 0.00 H new ATOM 0 HA ILE A 72 1.601 5.160 -9.747 1.00 0.00 H new ATOM 0 HB ILE A 72 2.728 3.285 -11.058 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.608 5.780 -10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.581 4.526 -11.304 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.929 3.518 -13.501 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.253 3.211 -12.986 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.752 4.852 -13.462 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.800 6.639 -12.517 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.031 5.407 -13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.042 6.680 -12.792 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.237 5.870 -12.306 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.771 6.994 -13.043 1.00 0.00 C ATOM 1122 C ASN A 73 -2.045 7.513 -12.402 1.00 0.00 C ATOM 1123 O ASN A 73 -2.868 8.156 -13.057 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.004 6.605 -14.501 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.425 7.629 -15.457 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.105 8.570 -15.868 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.836 7.448 -15.823 1.00 0.00 N ATOM 0 H ASN A 73 -0.675 4.971 -12.506 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.041 7.803 -13.016 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.553 5.632 -14.694 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.074 6.502 -14.683 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.278 8.102 -16.469 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.364 6.655 -15.459 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.210 7.242 -11.113 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.409 7.711 -10.424 1.00 0.00 C ATOM 1136 C GLY A 74 -3.174 8.172 -8.998 1.00 0.00 C ATOM 1137 O GLY A 74 -3.958 7.828 -8.116 1.00 0.00 O ATOM 0 H GLY A 74 -1.552 6.717 -10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.841 8.535 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.146 6.908 -10.416 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.128 8.987 -8.790 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.764 9.510 -7.460 1.00 0.00 C ATOM 1143 C LYS A 75 -1.654 8.374 -6.445 1.00 0.00 C ATOM 1144 O LYS A 75 -2.653 7.885 -5.914 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.761 10.577 -6.990 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.312 11.333 -5.744 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.463 12.557 -6.087 1.00 0.00 C ATOM 1148 CE LYS A 75 -2.283 13.655 -6.749 1.00 0.00 C ATOM 1149 NZ LYS A 75 -1.509 14.921 -6.904 1.00 0.00 N ATOM 0 H LYS A 75 -1.510 9.303 -9.537 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.787 9.987 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.923 11.291 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.720 10.101 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.188 11.648 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.739 10.664 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.004 12.946 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.652 12.260 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.619 13.315 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.176 13.848 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.963 15.520 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.486 15.427 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.537 14.700 -7.201 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.434 7.995 -6.131 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.223 6.874 -5.234 1.00 0.00 C ATOM 1165 C CYS A 76 0.186 7.323 -3.850 1.00 0.00 C ATOM 1166 O CYS A 76 0.482 8.495 -3.611 1.00 0.00 O ATOM 1167 CB CYS A 76 0.840 5.930 -5.798 1.00 0.00 C ATOM 1168 SG CYS A 76 0.669 5.589 -7.560 1.00 0.00 S ATOM 0 H CYS A 76 0.418 8.438 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.175 6.349 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.825 6.361 -5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.799 4.988 -5.252 1.00 0.00 H new ATOM 0 HG CYS A 76 1.035 6.634 -8.242 1.00 0.00 H new ATOM 1174 N PHE A 77 0.180 6.366 -2.944 1.00 0.00 N ATOM 1175 CA PHE A 77 0.548 6.591 -1.570 1.00 0.00 C ATOM 1176 C PHE A 77 1.277 5.371 -1.046 1.00 0.00 C ATOM 1177 O PHE A 77 0.703 4.288 -0.960 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.695 6.872 -0.718 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.430 8.111 -1.130 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.653 8.021 -1.773 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -0.892 9.358 -0.886 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.326 9.158 -2.165 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.560 10.499 -1.274 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.779 10.400 -1.914 1.00 0.00 C ATOM 0 H PHE A 77 -0.084 5.402 -3.148 1.00 0.00 H new ATOM 0 HA PHE A 77 1.202 7.461 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.371 6.019 -0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.397 6.965 0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.084 7.050 -1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.062 9.441 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.279 9.077 -2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.130 11.470 -1.078 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.304 11.293 -2.218 1.00 0.00 H new ATOM 1194 N PHE A 78 2.544 5.525 -0.734 1.00 0.00 N ATOM 1195 CA PHE A 78 3.303 4.411 -0.201 1.00 0.00 C ATOM 1196 C PHE A 78 3.017 4.339 1.277 1.00 0.00 C ATOM 1197 O PHE A 78 3.501 5.158 2.053 1.00 0.00 O ATOM 1198 CB PHE A 78 4.800 4.570 -0.442 1.00 0.00 C ATOM 1199 CG PHE A 78 5.603 3.388 0.024 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.703 2.251 -0.757 1.00 0.00 C ATOM 1201 CD2 PHE A 78 6.251 3.413 1.246 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.435 1.162 -0.332 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.987 2.329 1.677 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.079 1.200 0.888 1.00 0.00 C ATOM 0 H PHE A 78 3.066 6.395 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 78 3.004 3.493 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.976 4.724 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.151 5.465 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.201 2.215 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.180 4.292 1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.504 0.281 -0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.491 2.364 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.653 0.349 1.224 1.00 0.00 H new ATOM 1214 N ILE A 79 2.202 3.385 1.654 1.00 0.00 N ATOM 1215 CA ILE A 79 1.808 3.239 3.033 1.00 0.00 C ATOM 1216 C ILE A 79 2.383 2.011 3.668 1.00 0.00 C ATOM 1217 O ILE A 79 2.943 1.127 3.021 1.00 0.00 O ATOM 1218 CB ILE A 79 0.281 3.136 3.179 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.171 1.723 2.797 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.420 4.191 2.339 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.587 1.643 2.296 1.00 0.00 C ATOM 0 H ILE A 79 1.797 2.695 1.021 1.00 0.00 H new ATOM 0 HA ILE A 79 2.189 4.131 3.530 1.00 0.00 H new ATOM 0 HB ILE A 79 0.007 3.323 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.497 1.335 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.068 1.073 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.499 4.095 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.105 5.183 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.160 4.053 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.827 0.609 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.267 1.998 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.694 2.264 1.407 1.00 0.00 H new ATOM 1233 N HIS A 80 2.210 1.999 4.953 1.00 0.00 N ATOM 1234 CA HIS A 80 2.598 0.921 5.789 1.00 0.00 C ATOM 1235 C HIS A 80 1.379 0.646 6.648 1.00 0.00 C ATOM 1236 O HIS A 80 1.006 1.476 7.479 1.00 0.00 O ATOM 1237 CB HIS A 80 3.836 1.326 6.590 1.00 0.00 C ATOM 1238 CG HIS A 80 3.992 0.640 7.906 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.723 -0.508 8.083 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.519 0.981 9.116 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.696 -0.849 9.361 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.970 0.045 10.011 1.00 0.00 N ATOM 0 H HIS A 80 1.778 2.771 5.461 1.00 0.00 H new ATOM 0 HA HIS A 80 2.885 0.017 5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.721 1.126 5.987 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.803 2.402 6.761 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.210 -1.018 7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.898 1.835 9.342 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.183 -1.709 9.798 1.00 0.00 H new ATOM 1251 N TYR A 81 0.710 -0.462 6.366 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.509 -0.830 7.072 1.00 0.00 C ATOM 1253 C TYR A 81 -0.360 -0.675 8.582 1.00 0.00 C ATOM 1254 O TYR A 81 0.508 -1.282 9.211 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.936 -2.237 6.681 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.570 -2.285 5.306 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.790 -2.390 4.162 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.947 -2.206 5.150 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -1.363 -2.419 2.904 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -3.529 -2.237 3.895 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.732 -2.343 2.776 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.306 -2.370 1.525 1.00 0.00 O ATOM 0 H TYR A 81 0.994 -1.127 5.647 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.299 -0.141 6.772 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.068 -2.896 6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.643 -2.618 7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.284 -2.450 4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.576 -2.119 6.024 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.740 -2.501 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.603 -2.178 3.793 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.744 -2.896 0.918 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.213 0.174 9.134 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.217 0.491 10.554 1.00 0.00 C ATOM 1274 C GLN A 82 -1.515 -0.741 11.399 1.00 0.00 C ATOM 1275 O GLN A 82 -2.586 -1.337 11.294 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.258 1.574 10.825 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.833 2.590 11.867 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.688 3.838 11.838 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -3.186 4.197 10.664 1.00 0.00 O flip ATOM 1280 NE2 GLN A 82 -2.903 4.479 12.864 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.930 0.668 8.603 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.226 0.850 10.830 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.477 2.095 9.893 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.184 1.100 11.151 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.890 2.137 12.857 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.791 2.863 11.701 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.503 4.172 13.750 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.482 5.318 12.829 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.553 -1.118 12.227 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.722 -2.270 13.085 1.00 0.00 C ATOM 1291 C GLY A 83 0.013 -3.483 12.557 1.00 0.00 C ATOM 1292 O GLY A 83 0.126 -4.498 13.242 1.00 0.00 O ATOM 0 H GLY A 83 0.345 -0.644 12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.359 -2.033 14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.783 -2.501 13.177 1.00 0.00 H new ATOM 1296 N TRP A 84 0.530 -3.373 11.340 1.00 0.00 N ATOM 1297 CA TRP A 84 1.255 -4.470 10.718 1.00 0.00 C ATOM 1298 C TRP A 84 2.748 -4.171 10.674 1.00 0.00 C ATOM 1299 O TRP A 84 3.200 -3.134 11.156 1.00 0.00 O ATOM 1300 CB TRP A 84 0.718 -4.728 9.310 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.693 -5.234 9.305 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.809 -4.544 8.939 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -1.135 -6.536 9.691 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.922 -5.337 9.075 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -2.536 -6.568 9.532 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -0.484 -7.679 10.153 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -3.289 -7.699 9.824 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -1.232 -8.800 10.441 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -2.624 -8.806 10.273 1.00 0.00 C ATOM 0 H TRP A 84 0.460 -2.534 10.765 1.00 0.00 H new ATOM 0 HA TRP A 84 1.105 -5.368 11.318 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.769 -3.805 8.733 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.360 -5.453 8.809 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.817 -3.521 8.592 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.880 -5.055 8.869 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.588 -7.686 10.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.362 -7.703 9.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.737 -9.689 10.802 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.181 -9.702 10.503 1.00 0.00 H new ATOM 1320 N LYS A 85 3.507 -5.081 10.086 1.00 0.00 N ATOM 1321 CA LYS A 85 4.950 -4.928 9.994 1.00 0.00 C ATOM 1322 C LYS A 85 5.347 -4.235 8.693 1.00 0.00 C ATOM 1323 O LYS A 85 4.491 -3.879 7.883 1.00 0.00 O ATOM 1324 CB LYS A 85 5.630 -6.296 10.107 1.00 0.00 C ATOM 1325 CG LYS A 85 4.653 -7.467 10.065 1.00 0.00 C ATOM 1326 CD LYS A 85 5.190 -8.677 10.814 1.00 0.00 C ATOM 1327 CE LYS A 85 4.084 -9.673 11.129 1.00 0.00 C ATOM 1328 NZ LYS A 85 3.617 -10.385 9.915 1.00 0.00 N ATOM 0 H LYS A 85 3.146 -5.937 9.664 1.00 0.00 H new ATOM 0 HA LYS A 85 5.283 -4.299 10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.349 -6.404 9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.194 -6.337 11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.701 -7.162 10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.456 -7.739 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.960 -9.164 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.663 -8.352 11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.446 -10.398 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.245 -9.150 11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.864 -11.054 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.248 -9.696 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.411 -10.905 9.490 1.00 0.00 H new ATOM 1342 N SER A 86 6.644 -4.064 8.492 1.00 0.00 N ATOM 1343 CA SER A 86 7.164 -3.397 7.302 1.00 0.00 C ATOM 1344 C SER A 86 6.949 -4.236 6.035 1.00 0.00 C ATOM 1345 O SER A 86 7.203 -3.775 4.926 1.00 0.00 O ATOM 1346 CB SER A 86 8.651 -3.098 7.495 1.00 0.00 C ATOM 1347 OG SER A 86 8.950 -2.890 8.869 1.00 0.00 O ATOM 0 H SER A 86 7.364 -4.380 9.142 1.00 0.00 H new ATOM 0 HA SER A 86 6.615 -2.465 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.246 -3.926 7.110 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.926 -2.214 6.920 1.00 0.00 H new ATOM 0 HG SER A 86 9.906 -2.702 8.971 1.00 0.00 H new ATOM 1353 N SER A 87 6.478 -5.467 6.198 1.00 0.00 N ATOM 1354 CA SER A 87 6.222 -6.343 5.062 1.00 0.00 C ATOM 1355 C SER A 87 4.903 -5.971 4.386 1.00 0.00 C ATOM 1356 O SER A 87 4.515 -6.562 3.376 1.00 0.00 O ATOM 1357 CB SER A 87 6.181 -7.794 5.527 1.00 0.00 C ATOM 1358 OG SER A 87 6.569 -7.894 6.889 1.00 0.00 O ATOM 0 H SER A 87 6.266 -5.881 7.106 1.00 0.00 H new ATOM 0 HA SER A 87 7.028 -6.222 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.175 -8.194 5.400 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.845 -8.398 4.909 1.00 0.00 H new ATOM 0 HG SER A 87 6.535 -8.832 7.171 1.00 0.00 H new ATOM 1364 N TRP A 88 4.217 -4.991 4.959 1.00 0.00 N ATOM 1365 CA TRP A 88 2.950 -4.524 4.420 1.00 0.00 C ATOM 1366 C TRP A 88 3.134 -3.150 3.788 1.00 0.00 C ATOM 1367 O TRP A 88 2.164 -2.476 3.441 1.00 0.00 O ATOM 1368 CB TRP A 88 1.881 -4.464 5.516 1.00 0.00 C ATOM 1369 CG TRP A 88 1.321 -5.804 5.900 1.00 0.00 C ATOM 1370 CD1 TRP A 88 1.974 -6.811 6.553 1.00 0.00 C ATOM 1371 CD2 TRP A 88 -0.012 -6.278 5.667 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.136 -7.884 6.725 1.00 0.00 N ATOM 1373 CE2 TRP A 88 -0.089 -7.578 6.193 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -1.146 -5.729 5.062 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -1.254 -8.337 6.136 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -2.303 -6.483 5.005 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -2.349 -7.775 5.538 1.00 0.00 C ATOM 0 H TRP A 88 4.520 -4.503 5.802 1.00 0.00 H new ATOM 0 HA TRP A 88 2.616 -5.228 3.658 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.309 -3.994 6.401 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.065 -3.824 5.179 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.001 -6.769 6.886 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.384 -8.765 7.175 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.119 -4.733 4.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.293 -9.334 6.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -3.186 -6.068 4.541 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -3.267 -8.341 5.476 1.00 0.00 H new ATOM 1388 N ASP A 89 4.390 -2.738 3.660 1.00 0.00 N ATOM 1389 CA ASP A 89 4.721 -1.449 3.066 1.00 0.00 C ATOM 1390 C ASP A 89 4.562 -1.536 1.555 1.00 0.00 C ATOM 1391 O ASP A 89 5.472 -1.967 0.843 1.00 0.00 O ATOM 1392 CB ASP A 89 6.158 -1.035 3.423 1.00 0.00 C ATOM 1393 CG ASP A 89 6.341 -0.674 4.889 1.00 0.00 C ATOM 1394 OD1 ASP A 89 7.209 0.175 5.190 1.00 0.00 O ATOM 1395 OD2 ASP A 89 5.633 -1.243 5.750 1.00 0.00 O ATOM 0 H ASP A 89 5.199 -3.281 3.961 1.00 0.00 H new ATOM 0 HA ASP A 89 4.043 -0.693 3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.835 -1.851 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.445 -0.181 2.809 1.00 0.00 H new ATOM 1400 N GLU A 90 3.395 -1.140 1.072 1.00 0.00 N ATOM 1401 CA GLU A 90 3.099 -1.197 -0.353 1.00 0.00 C ATOM 1402 C GLU A 90 2.573 0.139 -0.858 1.00 0.00 C ATOM 1403 O GLU A 90 2.257 1.039 -0.080 1.00 0.00 O ATOM 1404 CB GLU A 90 2.073 -2.300 -0.637 1.00 0.00 C ATOM 1405 CG GLU A 90 2.554 -3.697 -0.274 1.00 0.00 C ATOM 1406 CD GLU A 90 2.658 -4.616 -1.475 1.00 0.00 C ATOM 1407 OE1 GLU A 90 2.498 -5.848 -1.307 1.00 0.00 O ATOM 1408 OE2 GLU A 90 2.911 -4.120 -2.593 1.00 0.00 O ATOM 0 H GLU A 90 2.635 -0.775 1.646 1.00 0.00 H new ATOM 0 HA GLU A 90 4.026 -1.422 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.160 -2.085 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.815 -2.279 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.529 -3.626 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.870 -4.134 0.453 1.00 0.00 H new ATOM 1415 N TRP A 91 2.480 0.253 -2.175 1.00 0.00 N ATOM 1416 CA TRP A 91 1.990 1.465 -2.809 1.00 0.00 C ATOM 1417 C TRP A 91 0.498 1.341 -3.097 1.00 0.00 C ATOM 1418 O TRP A 91 0.063 0.374 -3.718 1.00 0.00 O ATOM 1419 CB TRP A 91 2.708 1.723 -4.144 1.00 0.00 C ATOM 1420 CG TRP A 91 4.060 2.376 -4.044 1.00 0.00 C ATOM 1421 CD1 TRP A 91 5.274 1.750 -4.074 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.341 3.782 -3.943 1.00 0.00 C ATOM 1423 NE1 TRP A 91 6.287 2.676 -3.992 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.742 3.930 -3.908 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.550 4.932 -3.873 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.359 5.180 -3.817 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 4.173 6.167 -3.775 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.559 6.279 -3.751 1.00 0.00 C ATOM 0 H TRP A 91 2.740 -0.486 -2.828 1.00 0.00 H new ATOM 0 HA TRP A 91 2.183 2.290 -2.124 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.822 0.772 -4.663 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.067 2.350 -4.764 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.417 0.682 -4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 91 7.285 2.463 -3.993 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.473 4.860 -3.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.435 5.271 -3.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.569 7.061 -3.716 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.010 7.258 -3.679 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.284 2.295 -2.621 1.00 0.00 N ATOM 1440 CA VAL A 92 -1.712 2.309 -2.894 1.00 0.00 C ATOM 1441 C VAL A 92 -2.047 3.576 -3.657 1.00 0.00 C ATOM 1442 O VAL A 92 -1.149 4.284 -4.091 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.577 2.225 -1.619 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.430 0.866 -0.962 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.232 3.339 -0.646 1.00 0.00 C ATOM 0 H VAL A 92 0.045 3.069 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.943 1.421 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.619 2.352 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.048 0.827 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.750 0.089 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.387 0.704 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.858 3.253 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.183 3.260 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.407 4.304 -1.121 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.317 3.871 -3.814 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.707 5.067 -4.528 1.00 0.00 C ATOM 1457 C GLY A 93 -5.178 5.320 -4.371 1.00 0.00 C ATOM 1458 O GLY A 93 -5.863 4.497 -3.774 1.00 0.00 O ATOM 0 H GLY A 93 -4.091 3.307 -3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.144 5.921 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.461 4.963 -5.585 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.675 6.422 -4.926 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.101 6.774 -4.833 1.00 0.00 C ATOM 1464 C TYR A 94 -7.999 5.685 -5.412 1.00 0.00 C ATOM 1465 O TYR A 94 -9.224 5.745 -5.315 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.368 8.073 -5.578 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.802 9.294 -4.901 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -6.967 9.504 -3.537 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -6.103 10.241 -5.633 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -6.451 10.624 -2.924 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -5.582 11.363 -5.027 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.757 11.554 -3.672 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.239 12.672 -3.065 1.00 0.00 O ATOM 0 H TYR A 94 -5.113 7.094 -5.449 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.334 6.886 -3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.947 7.998 -6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.445 8.200 -5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.508 8.778 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.965 10.097 -6.694 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.589 10.774 -1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.038 12.091 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.779 13.223 -3.732 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.372 4.695 -6.000 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.074 3.582 -6.611 1.00 0.00 C ATOM 1485 C ASP A 95 -8.524 2.596 -5.546 1.00 0.00 C ATOM 1486 O ASP A 95 -9.580 1.980 -5.668 1.00 0.00 O ATOM 1487 CB ASP A 95 -7.167 2.878 -7.624 1.00 0.00 C ATOM 1488 CG ASP A 95 -7.910 1.869 -8.479 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -7.683 0.655 -8.304 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -8.706 2.292 -9.343 1.00 0.00 O ATOM 0 H ASP A 95 -6.356 4.634 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 95 -8.952 3.967 -7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.705 3.624 -8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.360 2.373 -7.093 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.734 2.473 -4.479 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.059 1.541 -3.403 1.00 0.00 C ATOM 1497 C ARG A 96 -7.948 2.194 -2.033 1.00 0.00 C ATOM 1498 O ARG A 96 -8.313 1.596 -1.026 1.00 0.00 O ATOM 1499 CB ARG A 96 -7.137 0.324 -3.460 1.00 0.00 C ATOM 1500 CG ARG A 96 -7.372 -0.558 -4.671 1.00 0.00 C ATOM 1501 CD ARG A 96 -6.328 -1.654 -4.780 1.00 0.00 C ATOM 1502 NE ARG A 96 -5.968 -1.922 -6.171 1.00 0.00 N ATOM 1503 CZ ARG A 96 -4.772 -2.353 -6.571 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -3.815 -2.604 -5.684 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -4.533 -2.539 -7.859 1.00 0.00 N ATOM 0 H ARG A 96 -6.873 3.002 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.093 1.229 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.101 0.663 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.276 -0.269 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.364 -1.006 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.354 0.052 -5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.437 -1.364 -4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.709 -2.566 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.681 -1.769 -6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.993 -2.467 -4.689 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.902 -2.934 -5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.264 -2.353 -8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.618 -2.869 -8.165 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.443 3.410 -1.992 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.278 4.108 -0.733 1.00 0.00 C ATOM 1521 C ILE A 97 -8.537 4.880 -0.364 1.00 0.00 C ATOM 1522 O ILE A 97 -9.271 5.371 -1.223 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.057 5.061 -0.756 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.552 5.314 0.658 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.406 6.382 -1.407 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.332 6.205 0.724 1.00 0.00 C ATOM 0 H ILE A 97 -7.140 3.934 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.097 3.348 0.027 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.274 4.578 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.352 5.767 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.317 4.358 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.529 7.030 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.730 6.208 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.210 6.861 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.034 6.337 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.515 5.745 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.566 7.176 0.288 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.778 4.956 0.925 1.00 0.00 N ATOM 1539 CA ARG A 98 -9.920 5.656 1.470 1.00 0.00 C ATOM 1540 C ARG A 98 -9.463 6.514 2.631 1.00 0.00 C ATOM 1541 O ARG A 98 -8.275 6.548 2.948 1.00 0.00 O ATOM 1542 CB ARG A 98 -10.992 4.665 1.932 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.675 3.929 0.791 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.392 4.896 -0.142 1.00 0.00 C ATOM 1545 NE ARG A 98 -13.421 5.672 0.548 1.00 0.00 N ATOM 1546 CZ ARG A 98 -13.603 6.987 0.393 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -12.819 7.685 -0.423 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -14.570 7.604 1.059 1.00 0.00 N ATOM 0 H ARG A 98 -8.180 4.529 1.633 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.358 6.287 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.536 3.936 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.745 5.201 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.935 3.359 0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.390 3.212 1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.665 5.575 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.848 4.338 -0.960 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.041 5.177 1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.072 7.217 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.965 8.688 -0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.174 7.075 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.710 8.608 0.942 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.398 7.169 3.292 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.081 8.022 4.398 1.00 0.00 C ATOM 1564 C ALA A 99 -10.369 7.263 5.649 1.00 0.00 C ATOM 1565 O ALA A 99 -11.250 6.407 5.679 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.911 9.300 4.356 1.00 0.00 C ATOM 0 H ALA A 99 -11.392 7.119 3.071 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.032 8.313 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.651 9.931 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.706 9.837 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.970 9.047 4.402 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.627 7.535 6.662 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.838 6.865 7.895 1.00 0.00 C ATOM 1574 C TYR A 100 -10.720 7.745 8.761 1.00 0.00 C ATOM 1575 O TYR A 100 -10.248 8.670 9.420 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.481 6.598 8.495 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.493 5.907 9.838 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.538 6.622 11.025 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.450 4.521 9.905 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.540 5.973 12.244 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.454 3.866 11.116 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.498 4.594 12.286 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.495 3.944 13.500 1.00 0.00 O ATOM 0 H TYR A 100 -8.868 8.217 6.662 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.349 5.908 7.786 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.907 5.989 7.797 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.955 7.547 8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.572 7.701 10.996 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.413 3.947 8.991 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.574 6.542 13.161 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.423 2.787 11.149 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.464 2.976 13.353 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.012 7.457 8.724 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.001 8.223 9.463 1.00 0.00 C ATOM 1595 C ASN A 101 -14.213 7.357 9.764 1.00 0.00 C ATOM 1596 O ASN A 101 -14.314 6.237 9.272 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.420 9.466 8.663 1.00 0.00 C ATOM 1598 CG ASN A 101 -13.872 9.135 7.249 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -14.591 8.162 7.017 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.439 9.935 6.292 1.00 0.00 N ATOM 0 H ASN A 101 -12.403 6.687 8.181 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.560 8.549 10.405 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.229 9.974 9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.582 10.162 8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.699 9.757 5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.845 10.731 6.523 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.156 7.905 10.509 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.356 7.167 10.912 1.00 0.00 C ATOM 1609 C GLU A 102 -17.311 6.902 9.749 1.00 0.00 C ATOM 1610 O GLU A 102 -18.329 6.230 9.922 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.100 7.927 12.008 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.356 7.979 13.331 1.00 0.00 C ATOM 1613 CD GLU A 102 -16.390 6.663 14.081 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -15.801 5.677 13.597 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -17.002 6.615 15.168 1.00 0.00 O ATOM 0 H GLU A 102 -15.120 8.865 10.853 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.014 6.201 11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.288 8.945 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.072 7.459 12.166 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.319 8.260 13.148 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.791 8.759 13.956 1.00 0.00 H new ATOM 1622 N GLU A 103 -16.995 7.422 8.572 1.00 0.00 N ATOM 1623 CA GLU A 103 -17.864 7.245 7.419 1.00 0.00 C ATOM 1624 C GLU A 103 -17.673 5.893 6.734 1.00 0.00 C ATOM 1625 O GLU A 103 -18.576 5.061 6.754 1.00 0.00 O ATOM 1626 CB GLU A 103 -17.659 8.366 6.410 1.00 0.00 C ATOM 1627 CG GLU A 103 -18.889 8.617 5.564 1.00 0.00 C ATOM 1628 CD GLU A 103 -19.067 10.081 5.238 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -19.632 10.816 6.076 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -18.642 10.505 4.144 1.00 0.00 O ATOM 0 H GLU A 103 -16.151 7.965 8.391 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.885 7.277 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.392 9.281 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.820 8.117 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.814 8.047 4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.771 8.254 6.091 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.507 5.655 6.135 1.00 0.00 N ATOM 1638 CA ASN A 104 -16.286 4.390 5.435 1.00 0.00 C ATOM 1639 C ASN A 104 -15.798 3.305 6.392 1.00 0.00 C ATOM 1640 O ASN A 104 -15.846 2.120 6.068 1.00 0.00 O ATOM 1641 CB ASN A 104 -15.347 4.542 4.226 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.090 5.325 4.526 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -14.077 6.549 4.441 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -13.019 4.627 4.841 1.00 0.00 N ATOM 0 H ASN A 104 -15.719 6.303 6.119 1.00 0.00 H new ATOM 0 HA ASN A 104 -17.252 4.076 5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -15.070 3.551 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -15.887 5.035 3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.136 5.103 5.025 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -13.072 3.610 4.901 1.00 0.00 H new ATOM 1651 N ILE A 105 -15.324 3.700 7.573 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.911 2.726 8.579 1.00 0.00 C ATOM 1653 C ILE A 105 -16.150 1.974 9.009 1.00 0.00 C ATOM 1654 O ILE A 105 -16.112 0.782 9.315 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.291 3.408 9.799 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.803 3.629 9.580 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -14.533 2.622 11.082 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.143 4.346 10.720 1.00 0.00 C ATOM 0 H ILE A 105 -15.218 4.675 7.853 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.159 2.061 8.155 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.782 4.374 9.917 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.316 2.665 9.434 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.657 4.202 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -14.074 3.145 11.921 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -15.605 2.529 11.255 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -14.093 1.629 10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.082 4.474 10.504 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.607 5.324 10.852 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -12.260 3.763 11.633 1.00 0.00 H new ATOM 1670 N ALA A 106 -17.254 2.716 9.000 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.558 2.190 9.339 1.00 0.00 C ATOM 1672 C ALA A 106 -18.839 0.970 8.480 1.00 0.00 C ATOM 1673 O ALA A 106 -19.504 0.027 8.905 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.606 3.270 9.131 1.00 0.00 C ATOM 0 H ALA A 106 -17.261 3.706 8.754 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.588 1.887 10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.590 2.876 9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.380 4.124 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.601 3.586 8.088 1.00 0.00 H new ATOM 1680 N MET A 107 -18.298 0.992 7.263 1.00 0.00 N ATOM 1681 CA MET A 107 -18.449 -0.128 6.359 1.00 0.00 C ATOM 1682 C MET A 107 -17.452 -1.203 6.743 1.00 0.00 C ATOM 1683 O MET A 107 -17.828 -2.345 6.866 1.00 0.00 O ATOM 1684 CB MET A 107 -18.230 0.268 4.898 1.00 0.00 C ATOM 1685 CG MET A 107 -19.046 -0.560 3.918 1.00 0.00 C ATOM 1686 SD MET A 107 -18.579 -0.248 2.205 1.00 0.00 S ATOM 1687 CE MET A 107 -19.529 -1.516 1.368 1.00 0.00 C ATOM 0 H MET A 107 -17.756 1.771 6.889 1.00 0.00 H new ATOM 0 HA MET A 107 -19.472 -0.494 6.446 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.485 1.320 4.773 1.00 0.00 H new ATOM 0 HB3 MET A 107 -17.172 0.165 4.656 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.913 -1.619 4.141 1.00 0.00 H new ATOM 0 HG3 MET A 107 -20.105 -0.337 4.050 1.00 0.00 H new ATOM 0 HE1 MET A 107 -19.349 -1.456 0.295 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.226 -2.498 1.733 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.590 -1.366 1.567 1.00 0.00 H new ATOM 1697 N LYS A 108 -16.191 -0.806 6.976 1.00 0.00 N ATOM 1698 CA LYS A 108 -15.105 -1.724 7.345 1.00 0.00 C ATOM 1699 C LYS A 108 -15.511 -2.644 8.495 1.00 0.00 C ATOM 1700 O LYS A 108 -15.168 -3.823 8.520 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.866 -0.911 7.734 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.626 -1.756 7.960 1.00 0.00 C ATOM 1703 CD LYS A 108 -12.074 -1.591 9.367 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.550 -1.605 9.374 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.993 -2.204 10.617 1.00 0.00 N ATOM 0 H LYS A 108 -15.896 0.168 6.913 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.881 -2.354 6.484 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.660 -0.182 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -14.082 -0.349 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.865 -2.805 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.861 -1.478 7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.432 -0.653 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -12.449 -2.393 10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.191 -2.166 8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.180 -0.585 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.056 -2.609 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.905 -1.469 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.629 -2.954 10.956 1.00 0.00 H new ATOM 1719 N LYS A 109 -16.230 -2.081 9.442 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.718 -2.834 10.598 1.00 0.00 C ATOM 1721 C LYS A 109 -17.648 -3.936 10.146 1.00 0.00 C ATOM 1722 O LYS A 109 -17.437 -5.113 10.442 1.00 0.00 O ATOM 1723 CB LYS A 109 -17.462 -1.910 11.563 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.669 -0.685 11.958 1.00 0.00 C ATOM 1725 CD LYS A 109 -15.532 -1.038 12.889 1.00 0.00 C ATOM 1726 CE LYS A 109 -15.880 -0.679 14.324 1.00 0.00 C ATOM 1727 NZ LYS A 109 -14.726 -0.844 15.244 1.00 0.00 N ATOM 0 H LYS A 109 -16.496 -1.096 9.441 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.860 -3.269 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -18.398 -1.594 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.722 -2.470 12.461 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.273 -0.203 11.064 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -17.328 0.035 12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.315 -2.104 12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.629 -0.508 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.228 0.353 14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.704 -1.306 14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.013 -0.587 16.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.409 -1.834 15.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.947 -0.226 14.938 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.672 -3.543 9.413 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.636 -4.485 8.889 1.00 0.00 C ATOM 1743 C ARG A 110 -18.975 -5.351 7.831 1.00 0.00 C ATOM 1744 O ARG A 110 -19.382 -6.466 7.581 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.816 -3.735 8.279 1.00 0.00 C ATOM 1746 CG ARG A 110 -22.030 -4.612 8.043 1.00 0.00 C ATOM 1747 CD ARG A 110 -23.125 -3.881 7.285 1.00 0.00 C ATOM 1748 NE ARG A 110 -24.004 -4.826 6.604 1.00 0.00 N ATOM 1749 CZ ARG A 110 -25.250 -5.099 6.984 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -25.809 -4.446 7.996 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -25.936 -6.041 6.350 1.00 0.00 N ATOM 0 H ARG A 110 -18.856 -2.570 9.167 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.998 -5.117 9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -21.094 -2.912 8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.506 -3.294 7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.733 -5.499 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -22.420 -4.955 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -23.706 -3.270 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.679 -3.203 6.557 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.640 -5.309 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -25.283 -3.726 8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -26.765 -4.664 8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -25.508 -6.551 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -26.891 -6.256 6.636 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.936 -4.805 7.236 1.00 0.00 N ATOM 1766 CA LEU A 111 -17.177 -5.462 6.196 1.00 0.00 C ATOM 1767 C LEU A 111 -16.377 -6.620 6.721 1.00 0.00 C ATOM 1768 O LEU A 111 -16.361 -7.677 6.112 1.00 0.00 O ATOM 1769 CB LEU A 111 -16.268 -4.447 5.520 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.885 -3.796 4.304 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -16.135 -2.534 3.913 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.953 -4.749 3.139 1.00 0.00 C ATOM 0 H LEU A 111 -17.589 -3.874 7.467 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.880 -5.870 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -16.003 -3.673 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.342 -4.941 5.227 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.904 -3.519 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.604 -2.090 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.164 -1.823 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -15.099 -2.783 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.402 -4.246 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.947 -5.078 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.559 -5.613 3.411 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.719 -6.455 7.853 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.944 -7.552 8.393 1.00 0.00 C ATOM 1786 C ALA A 112 -15.884 -8.615 8.917 1.00 0.00 C ATOM 1787 O ALA A 112 -15.478 -9.725 9.243 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.975 -7.064 9.457 1.00 0.00 C ATOM 0 H ALA A 112 -15.705 -5.596 8.403 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.336 -7.993 7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.406 -7.908 9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.292 -6.336 9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.532 -6.597 10.270 1.00 0.00 H new ATOM 1794 N ASN A 113 -17.151 -8.247 8.990 1.00 0.00 N ATOM 1795 CA ASN A 113 -18.183 -9.151 9.436 1.00 0.00 C ATOM 1796 C ASN A 113 -18.898 -9.779 8.241 1.00 0.00 C ATOM 1797 O ASN A 113 -19.167 -10.972 8.230 1.00 0.00 O ATOM 1798 CB ASN A 113 -19.183 -8.403 10.317 1.00 0.00 C ATOM 1799 CG ASN A 113 -19.021 -8.722 11.789 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -19.674 -9.623 12.317 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -18.167 -7.972 12.464 1.00 0.00 N ATOM 0 H ASN A 113 -17.487 -7.316 8.742 1.00 0.00 H new ATOM 0 HA ASN A 113 -17.722 -9.949 10.019 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -19.061 -7.330 10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -20.196 -8.656 10.004 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.029 -8.129 13.462 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.646 -7.236 11.987 1.00 0.00 H new