USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 95 LYS NZ :NH3+ 164:sc=-0.00373 (180deg=0) USER MOD Set 1.2: A 97 MET CE :methyl -143:sc= -0.599 (180deg=-3.07!) USER MOD Set 2.1: A 94 MET CE :methyl 140:sc= -3.47! (180deg=-4.51!) USER MOD Set 2.2: A 105 CYS SG : rot -129:sc= -1.74! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -4:sc= 0.831! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 25 ASN : amide:sc= -1.73 K(o=-1.7,f=-9.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 111:sc= -1.03 USER MOD Single : A 34 TYR OH : rot 88:sc= 0.708 USER MOD Single : A 35 SER OG : rot 180:sc= -0.796 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 37 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.059) USER MOD Single : A 42 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -168:sc= -0.426 USER MOD Single : A 46 GLN :FLIP amide:sc= -1.61! C(o=-3!,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -1.14 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 82 SER OG : rot 180:sc= 0.181 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.327 F(o=-2.8!,f=-0.33) USER MOD Single : A 104 CYS SG : rot 39:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -3.797 8.400 -8.934 1.00 0.00 N ATOM 113 CA LYS A 9 -2.793 7.371 -8.684 1.00 0.00 C ATOM 114 C LYS A 9 -2.595 7.120 -7.190 1.00 0.00 C ATOM 115 O LYS A 9 -2.149 7.998 -6.444 1.00 0.00 O ATOM 116 CB LYS A 9 -1.460 7.761 -9.325 1.00 0.00 C ATOM 117 CG LYS A 9 -1.125 6.951 -10.567 1.00 0.00 C ATOM 118 CD LYS A 9 -0.181 5.802 -10.246 1.00 0.00 C ATOM 119 CE LYS A 9 -0.123 4.794 -11.384 1.00 0.00 C ATOM 120 NZ LYS A 9 1.274 4.522 -11.817 1.00 0.00 N ATOM 0 HA LYS A 9 -3.156 6.447 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.487 8.819 -9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.663 7.635 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.043 6.558 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.668 7.600 -11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.818 6.193 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.509 5.304 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.592 3.863 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.698 5.169 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.268 3.830 -12.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.715 5.406 -12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.817 4.139 -11.017 1.00 0.00 H new ATOM 134 N ALA A 10 -2.934 5.915 -6.756 1.00 0.00 N ATOM 135 CA ALA A 10 -2.789 5.551 -5.358 1.00 0.00 C ATOM 136 C ALA A 10 -1.335 5.246 -5.023 1.00 0.00 C ATOM 137 O ALA A 10 -0.899 4.102 -5.102 1.00 0.00 O ATOM 138 CB ALA A 10 -3.677 4.361 -5.022 1.00 0.00 C ATOM 0 H ALA A 10 -3.310 5.176 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.104 6.400 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.556 4.102 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.719 4.618 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.394 3.509 -5.641 1.00 0.00 H new ATOM 144 N ILE A 11 -0.582 6.279 -4.652 1.00 0.00 N ATOM 145 CA ILE A 11 0.826 6.112 -4.314 1.00 0.00 C ATOM 146 C ILE A 11 1.057 6.184 -2.808 1.00 0.00 C ATOM 147 O ILE A 11 0.833 7.222 -2.182 1.00 0.00 O ATOM 148 CB ILE A 11 1.698 7.178 -5.009 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.515 7.105 -6.526 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.163 6.994 -4.638 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.346 8.460 -7.179 1.00 0.00 C ATOM 0 H ILE A 11 -0.924 7.237 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 11 1.115 5.122 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 11 1.380 8.163 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.378 6.604 -6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.643 6.491 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.763 7.755 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.280 7.090 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.496 6.005 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.221 8.333 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.466 8.955 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.229 9.070 -6.986 1.00 0.00 H new ATOM 163 N PHE A 12 1.524 5.079 -2.235 1.00 0.00 N ATOM 164 CA PHE A 12 1.813 5.009 -0.807 1.00 0.00 C ATOM 165 C PHE A 12 3.299 4.737 -0.594 1.00 0.00 C ATOM 166 O PHE A 12 3.780 3.637 -0.869 1.00 0.00 O ATOM 167 CB PHE A 12 0.984 3.902 -0.145 1.00 0.00 C ATOM 168 CG PHE A 12 -0.354 4.351 0.381 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.465 4.371 -0.446 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.501 4.740 1.704 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.699 4.770 0.035 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.732 5.143 2.192 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.832 5.156 1.356 1.00 0.00 C ATOM 0 H PHE A 12 1.711 4.214 -2.742 1.00 0.00 H new ATOM 0 HA PHE A 12 1.550 5.963 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.826 3.103 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.559 3.478 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.367 4.071 -1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.356 4.728 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.557 4.780 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.832 5.447 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.795 5.467 1.734 1.00 0.00 H new ATOM 183 N THR A 13 4.027 5.740 -0.109 1.00 0.00 N ATOM 184 CA THR A 13 5.460 5.594 0.129 1.00 0.00 C ATOM 185 C THR A 13 5.738 5.206 1.576 1.00 0.00 C ATOM 186 O THR A 13 5.341 5.911 2.502 1.00 0.00 O ATOM 187 CB THR A 13 6.225 6.889 -0.200 1.00 0.00 C ATOM 188 OG1 THR A 13 5.761 7.428 -1.443 1.00 0.00 O ATOM 189 CG2 THR A 13 7.722 6.630 -0.280 1.00 0.00 C ATOM 0 H THR A 13 3.650 6.658 0.126 1.00 0.00 H new ATOM 0 HA THR A 13 5.809 4.801 -0.533 1.00 0.00 H new ATOM 0 HB THR A 13 6.041 7.607 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.251 8.252 -1.645 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.240 7.560 -0.514 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.077 6.247 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.923 5.897 -1.061 1.00 0.00 H new ATOM 197 N VAL A 14 6.411 4.074 1.763 1.00 0.00 N ATOM 198 CA VAL A 14 6.728 3.581 3.099 1.00 0.00 C ATOM 199 C VAL A 14 8.129 2.976 3.153 1.00 0.00 C ATOM 200 O VAL A 14 8.797 2.849 2.131 1.00 0.00 O ATOM 201 CB VAL A 14 5.707 2.510 3.558 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.337 2.779 2.962 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.174 1.110 3.181 1.00 0.00 C ATOM 0 H VAL A 14 6.748 3.481 1.005 1.00 0.00 H new ATOM 0 HA VAL A 14 6.681 4.440 3.768 1.00 0.00 H new ATOM 0 HB VAL A 14 5.634 2.569 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.637 2.014 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.986 3.759 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.403 2.757 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.438 0.379 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.286 1.043 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.132 0.905 3.659 1.00 0.00 H new ATOM 213 N ASP A 15 8.549 2.585 4.352 1.00 0.00 N ATOM 214 CA ASP A 15 9.853 1.962 4.549 1.00 0.00 C ATOM 215 C ASP A 15 9.694 0.444 4.499 1.00 0.00 C ATOM 216 O ASP A 15 8.628 -0.075 4.808 1.00 0.00 O ATOM 217 CB ASP A 15 10.447 2.400 5.892 1.00 0.00 C ATOM 218 CG ASP A 15 11.664 1.588 6.294 1.00 0.00 C ATOM 219 OD1 ASP A 15 12.428 1.174 5.399 1.00 0.00 O ATOM 220 OD2 ASP A 15 11.854 1.374 7.509 1.00 0.00 O ATOM 0 H ASP A 15 8.002 2.690 5.206 1.00 0.00 H new ATOM 0 HA ASP A 15 10.534 2.276 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.722 3.453 5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.685 2.311 6.667 1.00 0.00 H new ATOM 225 N ALA A 16 10.733 -0.269 4.086 1.00 0.00 N ATOM 226 CA ALA A 16 10.651 -1.724 3.987 1.00 0.00 C ATOM 227 C ALA A 16 10.882 -2.408 5.327 1.00 0.00 C ATOM 228 O ALA A 16 10.567 -3.588 5.488 1.00 0.00 O ATOM 229 CB ALA A 16 11.633 -2.240 2.946 1.00 0.00 C ATOM 0 H ALA A 16 11.633 0.128 3.817 1.00 0.00 H new ATOM 0 HA ALA A 16 9.637 -1.971 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.560 -3.326 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.397 -1.804 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.647 -1.960 3.232 1.00 0.00 H new ATOM 235 N LYS A 17 11.418 -1.673 6.288 1.00 0.00 N ATOM 236 CA LYS A 17 11.669 -2.235 7.605 1.00 0.00 C ATOM 237 C LYS A 17 10.370 -2.350 8.398 1.00 0.00 C ATOM 238 O LYS A 17 10.056 -3.408 8.947 1.00 0.00 O ATOM 239 CB LYS A 17 12.675 -1.374 8.370 1.00 0.00 C ATOM 240 CG LYS A 17 13.184 -2.023 9.648 1.00 0.00 C ATOM 241 CD LYS A 17 13.494 -0.983 10.712 1.00 0.00 C ATOM 242 CE LYS A 17 12.281 -0.699 11.583 1.00 0.00 C ATOM 243 NZ LYS A 17 12.618 -0.731 13.033 1.00 0.00 N ATOM 0 H LYS A 17 11.686 -0.694 6.183 1.00 0.00 H new ATOM 0 HA LYS A 17 12.087 -3.233 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.523 -1.157 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.210 -0.420 8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.437 -2.721 10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.081 -2.603 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.317 -1.333 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.825 -0.060 10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.871 0.278 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.504 -1.435 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.764 -0.533 13.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.985 -1.671 13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.341 -0.012 13.237 1.00 0.00 H new ATOM 257 N THR A 18 9.636 -1.244 8.479 1.00 0.00 N ATOM 258 CA THR A 18 8.390 -1.230 9.240 1.00 0.00 C ATOM 259 C THR A 18 7.150 -1.003 8.387 1.00 0.00 C ATOM 260 O THR A 18 6.028 -1.155 8.869 1.00 0.00 O ATOM 261 CB THR A 18 8.430 -0.185 10.370 1.00 0.00 C ATOM 262 OG1 THR A 18 7.143 -0.078 10.989 1.00 0.00 O ATOM 263 CG2 THR A 18 8.858 1.173 9.836 1.00 0.00 C ATOM 0 H THR A 18 9.877 -0.358 8.035 1.00 0.00 H new ATOM 0 HA THR A 18 8.311 -2.231 9.665 1.00 0.00 H new ATOM 0 HB THR A 18 9.160 -0.513 11.111 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.503 -0.648 10.514 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.879 1.895 10.652 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.852 1.094 9.396 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.150 1.505 9.076 1.00 0.00 H new ATOM 271 N THR A 19 7.351 -0.629 7.139 1.00 0.00 N ATOM 272 CA THR A 19 6.239 -0.368 6.224 1.00 0.00 C ATOM 273 C THR A 19 5.520 0.925 6.590 1.00 0.00 C ATOM 274 O THR A 19 4.479 1.252 6.017 1.00 0.00 O ATOM 275 CB THR A 19 5.220 -1.523 6.200 1.00 0.00 C ATOM 276 OG1 THR A 19 5.876 -2.767 6.473 1.00 0.00 O ATOM 277 CG2 THR A 19 4.521 -1.599 4.852 1.00 0.00 C ATOM 0 H THR A 19 8.275 -0.497 6.727 1.00 0.00 H new ATOM 0 HA THR A 19 6.676 -0.275 5.230 1.00 0.00 H new ATOM 0 HB THR A 19 4.473 -1.332 6.971 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.219 -3.494 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.806 -2.422 4.859 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.995 -0.663 4.661 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.260 -1.766 4.068 1.00 0.00 H new ATOM 285 N GLU A 20 6.088 1.660 7.539 1.00 0.00 N ATOM 286 CA GLU A 20 5.512 2.923 7.977 1.00 0.00 C ATOM 287 C GLU A 20 5.434 3.897 6.808 1.00 0.00 C ATOM 288 O GLU A 20 6.456 4.334 6.283 1.00 0.00 O ATOM 289 CB GLU A 20 6.346 3.527 9.108 1.00 0.00 C ATOM 290 CG GLU A 20 5.763 3.284 10.490 1.00 0.00 C ATOM 291 CD GLU A 20 6.446 4.105 11.566 1.00 0.00 C ATOM 292 OE1 GLU A 20 6.555 5.336 11.392 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.872 3.516 12.581 1.00 0.00 O ATOM 0 H GLU A 20 6.949 1.401 8.020 1.00 0.00 H new ATOM 0 HA GLU A 20 4.505 2.735 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.352 3.110 9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.439 4.601 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.699 3.521 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.851 2.226 10.736 1.00 0.00 H new ATOM 300 N ILE A 21 4.214 4.217 6.398 1.00 0.00 N ATOM 301 CA ILE A 21 3.999 5.124 5.280 1.00 0.00 C ATOM 302 C ILE A 21 4.588 6.501 5.554 1.00 0.00 C ATOM 303 O ILE A 21 4.011 7.307 6.285 1.00 0.00 O ATOM 304 CB ILE A 21 2.503 5.266 4.934 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.720 4.029 5.383 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.337 5.477 3.439 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.518 4.348 6.244 1.00 0.00 C ATOM 0 H ILE A 21 3.358 3.861 6.824 1.00 0.00 H new ATOM 0 HA ILE A 21 4.513 4.683 4.426 1.00 0.00 H new ATOM 0 HB ILE A 21 2.106 6.131 5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.389 3.480 4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.388 3.369 5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.278 5.577 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.863 6.383 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.751 4.623 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.014 3.422 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.843 4.869 7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.171 4.982 5.686 1.00 0.00 H new ATOM 319 N LEU A 22 5.746 6.758 4.954 1.00 0.00 N ATOM 320 CA LEU A 22 6.434 8.034 5.117 1.00 0.00 C ATOM 321 C LEU A 22 5.551 9.194 4.666 1.00 0.00 C ATOM 322 O LEU A 22 5.582 10.271 5.262 1.00 0.00 O ATOM 323 CB LEU A 22 7.747 8.039 4.326 1.00 0.00 C ATOM 324 CG LEU A 22 8.388 6.664 4.109 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.550 6.767 3.133 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.855 6.077 5.432 1.00 0.00 C ATOM 0 H LEU A 22 6.230 6.096 4.347 1.00 0.00 H new ATOM 0 HA LEU A 22 6.656 8.162 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.563 8.493 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.462 8.677 4.846 1.00 0.00 H new ATOM 0 HG LEU A 22 7.637 5.998 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.994 5.782 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.189 7.144 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.301 7.449 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.307 5.101 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.590 6.742 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.003 5.967 6.102 1.00 0.00 H new ATOM 338 N VAL A 23 4.764 8.967 3.615 1.00 0.00 N ATOM 339 CA VAL A 23 3.874 9.998 3.092 1.00 0.00 C ATOM 340 C VAL A 23 3.008 9.461 1.950 1.00 0.00 C ATOM 341 O VAL A 23 3.371 8.489 1.287 1.00 0.00 O ATOM 342 CB VAL A 23 4.671 11.234 2.605 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.709 11.313 1.082 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.086 12.510 3.189 1.00 0.00 C ATOM 0 H VAL A 23 4.726 8.081 3.112 1.00 0.00 H new ATOM 0 HA VAL A 23 3.222 10.301 3.911 1.00 0.00 H new ATOM 0 HB VAL A 23 5.697 11.125 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.276 12.192 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.185 10.418 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.692 11.386 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.659 13.368 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.048 12.612 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.132 12.466 4.277 1.00 0.00 H new ATOM 354 N ALA A 24 1.872 10.112 1.722 1.00 0.00 N ATOM 355 CA ALA A 24 0.959 9.721 0.653 1.00 0.00 C ATOM 356 C ALA A 24 0.408 10.955 -0.053 1.00 0.00 C ATOM 357 O ALA A 24 0.424 12.052 0.501 1.00 0.00 O ATOM 358 CB ALA A 24 -0.171 8.862 1.196 1.00 0.00 C ATOM 0 H ALA A 24 1.560 10.917 2.266 1.00 0.00 H new ATOM 0 HA ALA A 24 1.514 9.128 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.839 8.582 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.243 7.962 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.728 9.425 1.945 1.00 0.00 H new ATOM 364 N ASN A 25 -0.050 10.776 -1.286 1.00 0.00 N ATOM 365 CA ASN A 25 -0.568 11.893 -2.068 1.00 0.00 C ATOM 366 C ASN A 25 -2.087 12.036 -1.968 1.00 0.00 C ATOM 367 O ASN A 25 -2.767 11.224 -1.340 1.00 0.00 O ATOM 368 CB ASN A 25 -0.153 11.748 -3.534 1.00 0.00 C ATOM 369 CG ASN A 25 -0.635 10.450 -4.156 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.759 9.428 -3.481 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.907 10.483 -5.454 1.00 0.00 N ATOM 0 H ASN A 25 -0.074 9.875 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.134 12.800 -1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.550 12.588 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.933 11.799 -3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.232 9.641 -5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.791 11.351 -5.977 1.00 0.00 H new ATOM 378 N ASP A 26 -2.590 13.098 -2.591 1.00 0.00 N ATOM 379 CA ASP A 26 -4.019 13.414 -2.599 1.00 0.00 C ATOM 380 C ASP A 26 -4.808 12.444 -3.466 1.00 0.00 C ATOM 381 O ASP A 26 -6.039 12.481 -3.486 1.00 0.00 O ATOM 382 CB ASP A 26 -4.249 14.847 -3.083 1.00 0.00 C ATOM 383 CG ASP A 26 -3.006 15.709 -2.964 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.497 15.861 -1.834 1.00 0.00 O ATOM 385 OD2 ASP A 26 -2.545 16.233 -4.000 1.00 0.00 O ATOM 0 H ASP A 26 -2.018 13.767 -3.107 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.377 13.317 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.575 14.828 -4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.056 15.297 -2.504 1.00 0.00 H new ATOM 390 N LYS A 27 -4.107 11.556 -4.158 1.00 0.00 N ATOM 391 CA LYS A 27 -4.763 10.562 -4.990 1.00 0.00 C ATOM 392 C LYS A 27 -4.976 9.298 -4.170 1.00 0.00 C ATOM 393 O LYS A 27 -6.107 8.938 -3.850 1.00 0.00 O ATOM 394 CB LYS A 27 -3.930 10.276 -6.237 1.00 0.00 C ATOM 395 CG LYS A 27 -3.345 11.529 -6.874 1.00 0.00 C ATOM 396 CD LYS A 27 -4.261 12.090 -7.949 1.00 0.00 C ATOM 397 CE LYS A 27 -5.396 12.901 -7.346 1.00 0.00 C ATOM 398 NZ LYS A 27 -5.412 14.300 -7.854 1.00 0.00 N ATOM 0 H LYS A 27 -3.088 11.505 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.730 10.939 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.118 9.598 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.551 9.761 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.179 12.285 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.373 11.297 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.685 12.718 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.671 11.272 -8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.347 12.421 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.298 12.910 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.201 14.819 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.515 14.767 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.531 14.293 -8.887 1.00 0.00 H new ATOM 412 N ALA A 28 -3.871 8.649 -3.804 1.00 0.00 N ATOM 413 CA ALA A 28 -3.926 7.445 -2.979 1.00 0.00 C ATOM 414 C ALA A 28 -4.844 7.659 -1.782 1.00 0.00 C ATOM 415 O ALA A 28 -5.693 6.821 -1.471 1.00 0.00 O ATOM 416 CB ALA A 28 -2.533 7.081 -2.497 1.00 0.00 C ATOM 0 H ALA A 28 -2.928 8.937 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.322 6.630 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.584 6.182 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.887 6.898 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.126 7.902 -1.906 1.00 0.00 H new ATOM 422 N CYS A 29 -4.660 8.793 -1.115 1.00 0.00 N ATOM 423 CA CYS A 29 -5.464 9.140 0.047 1.00 0.00 C ATOM 424 C CYS A 29 -6.939 9.158 -0.318 1.00 0.00 C ATOM 425 O CYS A 29 -7.787 8.718 0.455 1.00 0.00 O ATOM 426 CB CYS A 29 -5.027 10.501 0.593 1.00 0.00 C ATOM 427 SG CYS A 29 -6.095 11.879 0.111 1.00 0.00 S ATOM 0 H CYS A 29 -3.957 9.490 -1.362 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.314 8.388 0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.992 10.448 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.013 10.707 0.251 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.739 12.314 1.153 1.00 0.00 H new ATOM 433 N GLY A 30 -7.233 9.658 -1.513 1.00 0.00 N ATOM 434 CA GLY A 30 -8.607 9.703 -1.972 1.00 0.00 C ATOM 435 C GLY A 30 -9.193 8.311 -2.079 1.00 0.00 C ATOM 436 O GLY A 30 -10.354 8.085 -1.737 1.00 0.00 O ATOM 0 H GLY A 30 -6.547 10.031 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.204 10.300 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.653 10.196 -2.943 1.00 0.00 H new ATOM 440 N LEU A 31 -8.369 7.379 -2.549 1.00 0.00 N ATOM 441 CA LEU A 31 -8.777 5.987 -2.702 1.00 0.00 C ATOM 442 C LEU A 31 -9.430 5.481 -1.414 1.00 0.00 C ATOM 443 O LEU A 31 -10.569 5.012 -1.435 1.00 0.00 O ATOM 444 CB LEU A 31 -7.560 5.131 -3.089 1.00 0.00 C ATOM 445 CG LEU A 31 -7.783 3.614 -3.195 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.414 2.946 -1.883 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.216 3.275 -3.596 1.00 0.00 C ATOM 0 H LEU A 31 -7.407 7.566 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.516 5.910 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.186 5.487 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.774 5.308 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.135 3.232 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.574 1.871 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.365 3.141 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.037 3.346 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.330 2.193 -3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.906 3.669 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.437 3.720 -4.566 1.00 0.00 H new ATOM 459 N LEU A 32 -8.721 5.596 -0.290 1.00 0.00 N ATOM 460 CA LEU A 32 -9.288 5.158 0.988 1.00 0.00 C ATOM 461 C LEU A 32 -9.988 6.313 1.698 1.00 0.00 C ATOM 462 O LEU A 32 -11.217 6.342 1.783 1.00 0.00 O ATOM 463 CB LEU A 32 -8.246 4.532 1.925 1.00 0.00 C ATOM 464 CG LEU A 32 -6.778 4.642 1.512 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.302 6.086 1.566 1.00 0.00 C ATOM 466 CD2 LEU A 32 -5.937 3.769 2.428 1.00 0.00 C ATOM 0 H LEU A 32 -7.777 5.978 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.014 4.383 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.356 4.992 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.486 3.475 2.039 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.672 4.299 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.255 6.135 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.902 6.692 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.408 6.466 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.889 3.843 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.054 4.104 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.264 2.733 2.344 1.00 0.00 H new ATOM 478 N GLY A 33 -9.208 7.260 2.208 1.00 0.00 N ATOM 479 CA GLY A 33 -9.782 8.399 2.903 1.00 0.00 C ATOM 480 C GLY A 33 -8.811 9.030 3.881 1.00 0.00 C ATOM 481 O GLY A 33 -9.220 9.698 4.831 1.00 0.00 O ATOM 0 H GLY A 33 -8.189 7.260 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.095 9.146 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.677 8.081 3.438 1.00 0.00 H new ATOM 485 N TYR A 34 -7.522 8.815 3.645 1.00 0.00 N ATOM 486 CA TYR A 34 -6.480 9.364 4.505 1.00 0.00 C ATOM 487 C TYR A 34 -5.770 10.526 3.813 1.00 0.00 C ATOM 488 O TYR A 34 -6.383 11.268 3.045 1.00 0.00 O ATOM 489 CB TYR A 34 -5.460 8.275 4.853 1.00 0.00 C ATOM 490 CG TYR A 34 -5.972 7.225 5.812 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.933 6.305 5.416 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.486 7.151 7.111 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.396 5.342 6.289 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.945 6.190 7.989 1.00 0.00 C ATOM 495 CZ TYR A 34 -6.901 5.289 7.575 1.00 0.00 C ATOM 496 OH TYR A 34 -7.362 4.329 8.445 1.00 0.00 O ATOM 0 H TYR A 34 -7.172 8.262 2.862 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.947 9.730 5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.141 7.785 3.933 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.577 8.746 5.286 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.324 6.344 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.737 7.857 7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.143 4.632 5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.556 6.145 8.996 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.826 3.514 8.347 1.00 0.00 H new ATOM 506 N SER A 35 -4.471 10.659 4.081 1.00 0.00 N ATOM 507 CA SER A 35 -3.644 11.701 3.483 1.00 0.00 C ATOM 508 C SER A 35 -2.243 11.658 4.073 1.00 0.00 C ATOM 509 O SER A 35 -2.007 10.990 5.077 1.00 0.00 O ATOM 510 CB SER A 35 -4.250 13.085 3.678 1.00 0.00 C ATOM 511 OG SER A 35 -4.399 13.396 5.053 1.00 0.00 O ATOM 0 H SER A 35 -3.964 10.046 4.720 1.00 0.00 H new ATOM 0 HA SER A 35 -3.594 11.509 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.615 13.832 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.221 13.131 3.186 1.00 0.00 H new ATOM 0 HG SER A 35 -4.789 14.290 5.146 1.00 0.00 H new ATOM 517 N SER A 36 -1.318 12.366 3.443 1.00 0.00 N ATOM 518 CA SER A 36 0.067 12.403 3.898 1.00 0.00 C ATOM 519 C SER A 36 0.171 12.616 5.408 1.00 0.00 C ATOM 520 O SER A 36 1.053 12.057 6.058 1.00 0.00 O ATOM 521 CB SER A 36 0.826 13.512 3.168 1.00 0.00 C ATOM 522 OG SER A 36 -0.068 14.467 2.622 1.00 0.00 O ATOM 0 H SER A 36 -1.501 12.926 2.611 1.00 0.00 H new ATOM 0 HA SER A 36 0.512 11.435 3.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.511 14.004 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.432 13.079 2.372 1.00 0.00 H new ATOM 0 HG SER A 36 0.441 15.166 2.162 1.00 0.00 H new ATOM 528 N GLN A 37 -0.714 13.441 5.958 1.00 0.00 N ATOM 529 CA GLN A 37 -0.699 13.738 7.389 1.00 0.00 C ATOM 530 C GLN A 37 -1.743 12.941 8.173 1.00 0.00 C ATOM 531 O GLN A 37 -1.800 13.028 9.399 1.00 0.00 O ATOM 532 CB GLN A 37 -0.921 15.234 7.618 1.00 0.00 C ATOM 533 CG GLN A 37 -2.117 15.793 6.863 1.00 0.00 C ATOM 534 CD GLN A 37 -1.716 16.797 5.798 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.176 16.724 4.658 1.00 0.00 O ATOM 536 NE2 GLN A 37 -0.856 17.738 6.165 1.00 0.00 N ATOM 0 H GLN A 37 -1.451 13.916 5.436 1.00 0.00 H new ATOM 0 HA GLN A 37 0.282 13.441 7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.058 15.414 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.025 15.776 7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.664 14.973 6.397 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.797 16.269 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.501 17.760 7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.550 18.440 5.491 1.00 0.00 H new ATOM 545 N ASP A 38 -2.583 12.184 7.472 1.00 0.00 N ATOM 546 CA ASP A 38 -3.630 11.409 8.134 1.00 0.00 C ATOM 547 C ASP A 38 -3.322 9.913 8.169 1.00 0.00 C ATOM 548 O ASP A 38 -3.972 9.160 8.895 1.00 0.00 O ATOM 549 CB ASP A 38 -4.973 11.639 7.441 1.00 0.00 C ATOM 550 CG ASP A 38 -5.559 13.003 7.751 1.00 0.00 C ATOM 551 OD1 ASP A 38 -4.792 13.988 7.777 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.786 13.086 7.965 1.00 0.00 O ATOM 0 H ASP A 38 -2.561 12.090 6.457 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.676 11.757 9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.844 11.539 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.676 10.866 7.751 1.00 0.00 H new ATOM 557 N LEU A 39 -2.342 9.477 7.384 1.00 0.00 N ATOM 558 CA LEU A 39 -1.982 8.063 7.342 1.00 0.00 C ATOM 559 C LEU A 39 -0.527 7.844 7.749 1.00 0.00 C ATOM 560 O LEU A 39 -0.112 6.716 8.007 1.00 0.00 O ATOM 561 CB LEU A 39 -2.232 7.494 5.940 1.00 0.00 C ATOM 562 CG LEU A 39 -1.455 8.169 4.815 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.207 7.374 4.477 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.338 8.324 3.589 1.00 0.00 C ATOM 0 H LEU A 39 -1.787 10.076 6.773 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.612 7.537 8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.982 6.433 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.297 7.569 5.720 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.147 9.160 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.334 7.871 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.432 7.308 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.490 6.371 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.773 8.807 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.671 7.342 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.205 8.935 3.840 1.00 0.00 H new ATOM 576 N ILE A 40 0.243 8.927 7.812 1.00 0.00 N ATOM 577 CA ILE A 40 1.647 8.839 8.193 1.00 0.00 C ATOM 578 C ILE A 40 1.795 8.350 9.630 1.00 0.00 C ATOM 579 O ILE A 40 1.028 8.732 10.513 1.00 0.00 O ATOM 580 CB ILE A 40 2.363 10.200 8.030 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.889 10.013 8.064 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.897 11.191 9.092 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.492 10.004 9.456 1.00 0.00 C ATOM 0 H ILE A 40 -0.081 9.872 7.605 1.00 0.00 H new ATOM 0 HA ILE A 40 2.116 8.118 7.524 1.00 0.00 H new ATOM 0 HB ILE A 40 2.099 10.616 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.138 9.075 7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.353 10.812 7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.415 12.140 8.956 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.822 11.347 8.997 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.120 10.795 10.083 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.571 9.867 9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.278 10.951 9.951 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.060 9.187 10.034 1.00 0.00 H new ATOM 595 N GLY A 41 2.790 7.494 9.855 1.00 0.00 N ATOM 596 CA GLY A 41 3.023 6.959 11.183 1.00 0.00 C ATOM 597 C GLY A 41 2.586 5.514 11.310 1.00 0.00 C ATOM 598 O GLY A 41 3.047 4.794 12.197 1.00 0.00 O ATOM 0 H GLY A 41 3.438 7.163 9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.084 7.037 11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.486 7.563 11.914 1.00 0.00 H new ATOM 602 N GLN A 42 1.696 5.089 10.420 1.00 0.00 N ATOM 603 CA GLN A 42 1.195 3.720 10.431 1.00 0.00 C ATOM 604 C GLN A 42 1.670 2.965 9.194 1.00 0.00 C ATOM 605 O GLN A 42 2.535 3.442 8.463 1.00 0.00 O ATOM 606 CB GLN A 42 -0.334 3.714 10.494 1.00 0.00 C ATOM 607 CG GLN A 42 -0.910 4.798 11.390 1.00 0.00 C ATOM 608 CD GLN A 42 -2.346 5.143 11.039 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.279 4.453 11.453 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.530 6.213 10.278 1.00 0.00 N ATOM 0 H GLN A 42 1.306 5.674 9.681 1.00 0.00 H new ATOM 0 HA GLN A 42 1.587 3.219 11.316 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.731 3.838 9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.671 2.741 10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.862 4.469 12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.295 5.694 11.311 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.728 6.755 9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.474 6.494 10.013 1.00 0.00 H new ATOM 619 N LYS A 43 1.096 1.789 8.964 1.00 0.00 N ATOM 620 CA LYS A 43 1.457 0.971 7.812 1.00 0.00 C ATOM 621 C LYS A 43 0.280 0.870 6.851 1.00 0.00 C ATOM 622 O LYS A 43 -0.842 0.596 7.271 1.00 0.00 O ATOM 623 CB LYS A 43 1.893 -0.425 8.264 1.00 0.00 C ATOM 624 CG LYS A 43 2.552 -0.440 9.634 1.00 0.00 C ATOM 625 CD LYS A 43 3.185 -1.788 9.937 1.00 0.00 C ATOM 626 CE LYS A 43 2.375 -2.568 10.960 1.00 0.00 C ATOM 627 NZ LYS A 43 2.598 -2.067 12.345 1.00 0.00 N ATOM 0 H LYS A 43 0.377 1.380 9.561 1.00 0.00 H new ATOM 0 HA LYS A 43 2.292 1.445 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.023 -1.081 8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.587 -0.835 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.313 0.339 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.810 -0.206 10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.266 -2.368 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.198 -1.639 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.315 -2.497 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.644 -3.623 10.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.028 -2.625 13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.605 -2.158 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.317 -1.067 12.402 1.00 0.00 H new ATOM 641 N LEU A 44 0.527 1.137 5.570 1.00 0.00 N ATOM 642 CA LEU A 44 -0.536 1.110 4.564 1.00 0.00 C ATOM 643 C LEU A 44 -1.438 -0.120 4.689 1.00 0.00 C ATOM 644 O LEU A 44 -2.657 -0.004 4.600 1.00 0.00 O ATOM 645 CB LEU A 44 0.035 1.187 3.139 1.00 0.00 C ATOM 646 CG LEU A 44 1.454 0.639 2.938 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.484 -0.872 3.095 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.972 1.030 1.562 1.00 0.00 C ATOM 0 H LEU A 44 1.449 1.374 5.204 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.146 1.993 4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.637 0.646 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.025 2.230 2.824 1.00 0.00 H new ATOM 0 HG LEU A 44 2.098 1.073 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.502 -1.233 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.145 -1.141 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.826 -1.328 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.980 0.637 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.316 0.617 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.992 2.116 1.476 1.00 0.00 H new ATOM 660 N THR A 45 -0.838 -1.293 4.870 1.00 0.00 N ATOM 661 CA THR A 45 -1.598 -2.539 4.973 1.00 0.00 C ATOM 662 C THR A 45 -2.666 -2.483 6.056 1.00 0.00 C ATOM 663 O THR A 45 -3.622 -3.260 6.029 1.00 0.00 O ATOM 664 CB THR A 45 -0.684 -3.738 5.237 1.00 0.00 C ATOM 665 OG1 THR A 45 0.072 -3.538 6.436 1.00 0.00 O ATOM 666 CG2 THR A 45 0.252 -3.938 4.063 1.00 0.00 C ATOM 0 H THR A 45 0.172 -1.409 4.949 1.00 0.00 H new ATOM 0 HA THR A 45 -2.090 -2.664 4.008 1.00 0.00 H new ATOM 0 HB THR A 45 -1.301 -4.628 5.361 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.781 -4.212 6.492 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.900 -4.793 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.331 -4.121 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.861 -3.044 3.927 1.00 0.00 H new ATOM 674 N GLN A 46 -2.518 -1.564 6.996 1.00 0.00 N ATOM 675 CA GLN A 46 -3.493 -1.420 8.066 1.00 0.00 C ATOM 676 C GLN A 46 -4.854 -1.101 7.470 1.00 0.00 C ATOM 677 O GLN A 46 -5.895 -1.362 8.073 1.00 0.00 O ATOM 678 CB GLN A 46 -3.069 -0.319 9.041 1.00 0.00 C ATOM 679 CG GLN A 46 -3.277 -0.685 10.501 1.00 0.00 C ATOM 680 CD GLN A 46 -2.979 0.467 11.440 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.752 0.974 11.382 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -3.840 0.896 12.209 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.737 -0.910 7.041 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.551 -2.357 8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.016 -0.088 8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.632 0.588 8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.307 -1.010 10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.637 -1.530 10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.769 0.476 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.624 1.671 12.835 1.00 0.00 H new ATOM 691 N PHE A 47 -4.825 -0.514 6.278 1.00 0.00 N ATOM 692 CA PHE A 47 -6.043 -0.129 5.577 1.00 0.00 C ATOM 693 C PHE A 47 -6.234 -0.955 4.307 1.00 0.00 C ATOM 694 O PHE A 47 -6.676 -0.433 3.284 1.00 0.00 O ATOM 695 CB PHE A 47 -5.992 1.361 5.226 1.00 0.00 C ATOM 696 CG PHE A 47 -4.970 2.137 6.011 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.118 2.326 7.375 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.858 2.674 5.381 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.176 3.038 8.098 1.00 0.00 C ATOM 700 CE2 PHE A 47 -2.915 3.385 6.096 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.073 3.569 7.456 1.00 0.00 C ATOM 0 H PHE A 47 -3.965 -0.294 5.775 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.890 -0.320 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.776 1.467 4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.976 1.798 5.397 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.978 1.913 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.728 2.534 4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.303 3.178 9.161 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.054 3.797 5.592 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.337 4.126 8.016 1.00 0.00 H new ATOM 711 N PHE A 48 -5.907 -2.245 4.379 1.00 0.00 N ATOM 712 CA PHE A 48 -6.053 -3.140 3.231 1.00 0.00 C ATOM 713 C PHE A 48 -6.482 -4.533 3.676 1.00 0.00 C ATOM 714 O PHE A 48 -6.267 -4.917 4.825 1.00 0.00 O ATOM 715 CB PHE A 48 -4.742 -3.218 2.439 1.00 0.00 C ATOM 716 CG PHE A 48 -4.344 -1.907 1.820 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.200 -1.243 0.956 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.118 -1.335 2.107 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.840 -0.034 0.397 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.751 -0.126 1.548 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.614 0.525 0.692 1.00 0.00 C ATOM 0 H PHE A 48 -5.540 -2.693 5.218 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.830 -2.732 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.945 -3.556 3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.844 -3.967 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.160 -1.677 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.438 -1.840 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.518 0.475 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.790 0.308 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.331 1.470 0.254 1.00 0.00 H new ATOM 731 N LEU A 49 -7.091 -5.276 2.747 1.00 0.00 N ATOM 732 CA LEU A 49 -7.578 -6.638 2.996 1.00 0.00 C ATOM 733 C LEU A 49 -7.974 -6.849 4.455 1.00 0.00 C ATOM 734 O LEU A 49 -9.101 -6.551 4.849 1.00 0.00 O ATOM 735 CB LEU A 49 -6.533 -7.682 2.577 1.00 0.00 C ATOM 736 CG LEU A 49 -5.228 -7.124 2.000 1.00 0.00 C ATOM 737 CD1 LEU A 49 -4.294 -6.678 3.115 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.545 -8.164 1.129 1.00 0.00 C ATOM 0 H LEU A 49 -7.261 -4.949 1.796 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.472 -6.768 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.291 -8.295 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.983 -8.342 1.836 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.471 -6.257 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.373 -6.285 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.778 -5.901 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.060 -7.528 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.620 -7.751 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.319 -9.047 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.206 -8.441 0.307 1.00 0.00 H new ATOM 750 N ARG A 50 -7.044 -7.368 5.250 1.00 0.00 N ATOM 751 CA ARG A 50 -7.300 -7.619 6.662 1.00 0.00 C ATOM 752 C ARG A 50 -6.192 -7.029 7.526 1.00 0.00 C ATOM 753 O ARG A 50 -5.037 -7.447 7.449 1.00 0.00 O ATOM 754 CB ARG A 50 -7.422 -9.122 6.917 1.00 0.00 C ATOM 755 CG ARG A 50 -8.518 -9.481 7.904 1.00 0.00 C ATOM 756 CD ARG A 50 -8.033 -10.487 8.936 1.00 0.00 C ATOM 757 NE ARG A 50 -8.911 -11.651 9.022 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.878 -11.780 9.924 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.094 -10.817 10.811 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.632 -12.869 9.940 1.00 0.00 N ATOM 0 H ARG A 50 -6.106 -7.623 4.940 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.239 -7.136 6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.615 -9.629 5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.470 -9.498 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.864 -8.579 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.372 -9.893 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.025 -10.812 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.974 -10.005 9.912 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.774 -12.408 8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.517 -9.976 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.837 -10.918 11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.471 -13.611 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.374 -12.966 10.633 1.00 0.00 H new ATOM 774 N SER A 51 -6.554 -6.052 8.350 1.00 0.00 N ATOM 775 CA SER A 51 -5.594 -5.398 9.232 1.00 0.00 C ATOM 776 C SER A 51 -5.363 -6.216 10.495 1.00 0.00 C ATOM 777 O SER A 51 -4.538 -5.857 11.336 1.00 0.00 O ATOM 778 CB SER A 51 -6.085 -3.999 9.603 1.00 0.00 C ATOM 779 OG SER A 51 -7.146 -4.063 10.542 1.00 0.00 O ATOM 0 H SER A 51 -7.506 -5.695 8.426 1.00 0.00 H new ATOM 0 HA SER A 51 -4.648 -5.318 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.261 -3.420 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.420 -3.478 8.706 1.00 0.00 H new ATOM 0 HG SER A 51 -7.441 -3.155 10.764 1.00 0.00 H new ATOM 785 N ASP A 52 -6.107 -7.307 10.632 1.00 0.00 N ATOM 786 CA ASP A 52 -5.994 -8.164 11.805 1.00 0.00 C ATOM 787 C ASP A 52 -4.884 -9.204 11.653 1.00 0.00 C ATOM 788 O ASP A 52 -3.863 -9.133 12.336 1.00 0.00 O ATOM 789 CB ASP A 52 -7.327 -8.865 12.074 1.00 0.00 C ATOM 790 CG ASP A 52 -7.942 -8.451 13.396 1.00 0.00 C ATOM 791 OD1 ASP A 52 -7.373 -8.806 14.452 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.990 -7.774 13.377 1.00 0.00 O ATOM 0 H ASP A 52 -6.794 -7.619 9.946 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.736 -7.526 12.650 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.023 -8.639 11.266 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.174 -9.944 12.070 1.00 0.00 H new ATOM 797 N SER A 53 -5.102 -10.185 10.781 1.00 0.00 N ATOM 798 CA SER A 53 -4.127 -11.255 10.571 1.00 0.00 C ATOM 799 C SER A 53 -3.160 -10.956 9.424 1.00 0.00 C ATOM 800 O SER A 53 -1.942 -11.020 9.599 1.00 0.00 O ATOM 801 CB SER A 53 -4.851 -12.574 10.302 1.00 0.00 C ATOM 802 OG SER A 53 -5.620 -12.505 9.114 1.00 0.00 O ATOM 0 H SER A 53 -5.943 -10.262 10.209 1.00 0.00 H new ATOM 0 HA SER A 53 -3.535 -11.330 11.483 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.123 -13.381 10.220 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.500 -12.814 11.144 1.00 0.00 H new ATOM 0 HG SER A 53 -6.071 -13.363 8.966 1.00 0.00 H new ATOM 808 N ASP A 54 -3.711 -10.664 8.251 1.00 0.00 N ATOM 809 CA ASP A 54 -2.909 -10.389 7.057 1.00 0.00 C ATOM 810 C ASP A 54 -1.721 -9.473 7.344 1.00 0.00 C ATOM 811 O ASP A 54 -0.577 -9.853 7.114 1.00 0.00 O ATOM 812 CB ASP A 54 -3.785 -9.771 5.965 1.00 0.00 C ATOM 813 CG ASP A 54 -4.179 -10.778 4.903 1.00 0.00 C ATOM 814 OD1 ASP A 54 -3.276 -11.442 4.351 1.00 0.00 O ATOM 815 OD2 ASP A 54 -5.390 -10.904 4.624 1.00 0.00 O ATOM 0 H ASP A 54 -4.718 -10.611 8.098 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.508 -11.344 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.684 -9.353 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.250 -8.944 5.498 1.00 0.00 H new ATOM 820 N VAL A 55 -1.996 -8.267 7.822 1.00 0.00 N ATOM 821 CA VAL A 55 -0.944 -7.293 8.115 1.00 0.00 C ATOM 822 C VAL A 55 0.170 -7.882 8.986 1.00 0.00 C ATOM 823 O VAL A 55 1.312 -7.424 8.937 1.00 0.00 O ATOM 824 CB VAL A 55 -1.530 -6.045 8.807 1.00 0.00 C ATOM 825 CG1 VAL A 55 -0.427 -5.110 9.282 1.00 0.00 C ATOM 826 CG2 VAL A 55 -2.476 -5.320 7.867 1.00 0.00 C ATOM 0 H VAL A 55 -2.941 -7.935 8.017 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.508 -7.010 7.157 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.088 -6.373 9.684 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.871 -4.240 9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.213 -5.633 9.993 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.168 -4.786 8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.883 -4.441 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.934 -5.011 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.291 -5.987 7.585 1.00 0.00 H new ATOM 836 N VAL A 56 -0.165 -8.883 9.792 1.00 0.00 N ATOM 837 CA VAL A 56 0.816 -9.505 10.679 1.00 0.00 C ATOM 838 C VAL A 56 1.791 -10.415 9.931 1.00 0.00 C ATOM 839 O VAL A 56 2.977 -10.449 10.255 1.00 0.00 O ATOM 840 CB VAL A 56 0.131 -10.318 11.794 1.00 0.00 C ATOM 841 CG1 VAL A 56 1.157 -10.841 12.788 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.918 -9.472 12.502 1.00 0.00 C ATOM 0 H VAL A 56 -1.102 -9.281 9.851 1.00 0.00 H new ATOM 0 HA VAL A 56 1.380 -8.682 11.118 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.366 -11.174 11.337 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.651 -11.412 13.567 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.869 -11.484 12.271 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.687 -10.002 13.240 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.392 -10.062 13.287 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.442 -8.597 12.944 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.672 -9.151 11.783 1.00 0.00 H new ATOM 852 N GLU A 57 1.297 -11.155 8.941 1.00 0.00 N ATOM 853 CA GLU A 57 2.147 -12.062 8.171 1.00 0.00 C ATOM 854 C GLU A 57 2.738 -11.376 6.944 1.00 0.00 C ATOM 855 O GLU A 57 3.825 -11.727 6.485 1.00 0.00 O ATOM 856 CB GLU A 57 1.352 -13.296 7.740 1.00 0.00 C ATOM 857 CG GLU A 57 0.001 -12.966 7.125 1.00 0.00 C ATOM 858 CD GLU A 57 -1.076 -13.963 7.509 1.00 0.00 C ATOM 859 OE1 GLU A 57 -0.730 -15.033 8.051 1.00 0.00 O ATOM 860 OE2 GLU A 57 -2.267 -13.671 7.270 1.00 0.00 O ATOM 0 H GLU A 57 0.318 -11.145 8.654 1.00 0.00 H new ATOM 0 HA GLU A 57 2.970 -12.366 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.941 -13.864 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.200 -13.940 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.304 -11.968 7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.097 -12.941 6.040 1.00 0.00 H new ATOM 867 N ALA A 58 2.002 -10.412 6.406 1.00 0.00 N ATOM 868 CA ALA A 58 2.425 -9.685 5.215 1.00 0.00 C ATOM 869 C ALA A 58 3.739 -8.939 5.422 1.00 0.00 C ATOM 870 O ALA A 58 4.635 -9.002 4.578 1.00 0.00 O ATOM 871 CB ALA A 58 1.336 -8.715 4.780 1.00 0.00 C ATOM 0 H ALA A 58 1.101 -10.113 6.779 1.00 0.00 H new ATOM 0 HA ALA A 58 2.594 -10.423 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.662 -8.177 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.424 -9.268 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.141 -8.004 5.582 1.00 0.00 H new ATOM 1086 N PHE A 74 -0.146 -9.266 -0.853 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.448 -7.838 -0.898 1.00 0.00 C ATOM 1088 C PHE A 74 0.089 -7.216 -2.183 1.00 0.00 C ATOM 1089 O PHE A 74 -0.508 -6.293 -2.730 1.00 0.00 O ATOM 1090 CB PHE A 74 0.132 -7.119 0.325 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.190 -5.644 0.379 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.481 -5.183 0.145 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.805 -4.718 0.658 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.765 -3.832 0.192 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.524 -3.368 0.703 1.00 0.00 C ATOM 1096 CZ PHE A 74 -0.762 -2.925 0.469 1.00 0.00 C ATOM 0 HA PHE A 74 -1.532 -7.721 -0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.247 -7.597 1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.215 -7.245 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.269 -5.888 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.813 -5.059 0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.772 -3.485 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.309 -2.659 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.984 -1.869 0.503 1.00 0.00 H new ATOM 1106 N GLY A 75 1.214 -7.742 -2.671 1.00 0.00 N ATOM 1107 CA GLY A 75 1.801 -7.231 -3.901 1.00 0.00 C ATOM 1108 C GLY A 75 1.131 -7.810 -5.133 1.00 0.00 C ATOM 1109 O GLY A 75 1.780 -8.068 -6.145 1.00 0.00 O ATOM 0 H GLY A 75 1.727 -8.510 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.717 -6.144 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.865 -7.468 -3.921 1.00 0.00 H new ATOM 1113 N THR A 76 -0.175 -8.017 -5.031 1.00 0.00 N ATOM 1114 CA THR A 76 -0.969 -8.572 -6.121 1.00 0.00 C ATOM 1115 C THR A 76 -2.387 -8.017 -6.086 1.00 0.00 C ATOM 1116 O THR A 76 -2.794 -7.405 -5.098 1.00 0.00 O ATOM 1117 CB THR A 76 -1.029 -10.108 -6.050 1.00 0.00 C ATOM 1118 OG1 THR A 76 0.041 -10.607 -5.241 1.00 0.00 O ATOM 1119 CG2 THR A 76 -0.945 -10.718 -7.443 1.00 0.00 C ATOM 0 H THR A 76 -0.714 -7.805 -4.191 1.00 0.00 H new ATOM 0 HA THR A 76 -0.483 -8.283 -7.053 1.00 0.00 H new ATOM 0 HB THR A 76 -1.982 -10.390 -5.602 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.008 -11.585 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.989 -11.804 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.779 -10.362 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.006 -10.425 -7.913 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.144 -8.236 -7.156 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.519 -7.761 -7.205 1.00 0.00 C ATOM 1129 C VAL A 77 -5.331 -8.471 -6.128 1.00 0.00 C ATOM 1130 O VAL A 77 -5.738 -9.621 -6.298 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.162 -8.022 -8.582 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.494 -7.295 -8.698 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.220 -7.605 -9.700 1.00 0.00 C ATOM 0 H VAL A 77 -2.833 -8.733 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.513 -6.685 -7.034 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.349 -9.092 -8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.932 -7.492 -9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.171 -7.649 -7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.335 -6.223 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.692 -7.797 -10.664 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.997 -6.542 -9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.295 -8.177 -9.629 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.538 -7.787 -5.006 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.272 -8.357 -3.883 1.00 0.00 C ATOM 1145 C VAL A 78 -7.468 -7.501 -3.494 1.00 0.00 C ATOM 1146 O VAL A 78 -7.766 -6.493 -4.133 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.363 -8.501 -2.646 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.142 -9.342 -2.968 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.948 -7.132 -2.126 1.00 0.00 C ATOM 0 H VAL A 78 -5.206 -6.835 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.621 -9.336 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.929 -9.010 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.516 -9.429 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.458 -10.335 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.573 -8.867 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.307 -7.253 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.404 -6.597 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.836 -6.564 -1.848 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.132 -7.905 -2.416 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.280 -7.177 -1.900 1.00 0.00 C ATOM 1161 C ASP A 79 -8.837 -6.314 -0.731 1.00 0.00 C ATOM 1162 O ASP A 79 -8.208 -6.809 0.200 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.374 -8.145 -1.449 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.474 -8.293 -2.481 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.157 -8.601 -3.648 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.655 -8.098 -2.121 1.00 0.00 O ATOM 0 H ASP A 79 -7.890 -8.739 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.687 -6.547 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.932 -9.121 -1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.804 -7.792 -0.511 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.147 -5.026 -0.785 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.750 -4.118 0.278 1.00 0.00 C ATOM 1173 C ILE A 80 -9.957 -3.491 0.964 1.00 0.00 C ATOM 1174 O ILE A 80 -11.086 -3.593 0.482 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.830 -3.002 -0.253 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.627 -1.977 -1.065 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.712 -3.598 -1.095 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.120 -0.560 -0.911 1.00 0.00 C ATOM 0 H ILE A 80 -9.667 -4.591 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.203 -4.715 1.008 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.388 -2.486 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.593 -2.254 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.672 -2.016 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.069 -2.799 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.124 -4.285 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.141 -4.138 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.731 0.112 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.180 -0.264 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.084 -0.506 -1.245 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.700 -2.830 2.084 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.744 -2.163 2.849 1.00 0.00 C ATOM 1192 C ILE A 81 -10.224 -0.834 3.378 1.00 0.00 C ATOM 1193 O ILE A 81 -9.103 -0.753 3.875 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.231 -3.028 4.027 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.041 -3.541 4.836 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.077 -4.189 3.523 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.425 -4.135 6.174 1.00 0.00 C ATOM 0 H ILE A 81 -8.767 -2.741 2.486 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.589 -1.996 2.181 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.851 -2.411 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.514 -4.295 4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.343 -2.720 5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.412 -4.789 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -12.943 -3.802 2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.482 -4.808 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.528 -4.477 6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.925 -3.378 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.098 -4.978 6.018 1.00 0.00 H new ATOM 1209 N SER A 82 -11.037 0.206 3.271 1.00 0.00 N ATOM 1210 CA SER A 82 -10.637 1.525 3.741 1.00 0.00 C ATOM 1211 C SER A 82 -11.006 1.718 5.207 1.00 0.00 C ATOM 1212 O SER A 82 -11.684 0.880 5.800 1.00 0.00 O ATOM 1213 CB SER A 82 -11.288 2.616 2.887 1.00 0.00 C ATOM 1214 OG SER A 82 -12.307 3.289 3.603 1.00 0.00 O ATOM 0 H SER A 82 -11.972 0.164 2.866 1.00 0.00 H new ATOM 0 HA SER A 82 -9.554 1.601 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.530 3.332 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.707 2.172 1.984 1.00 0.00 H new ATOM 0 HG SER A 82 -12.704 3.981 3.034 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.538 2.821 5.784 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.805 3.133 7.189 1.00 0.00 C ATOM 1222 C ARG A 83 -12.266 2.871 7.558 1.00 0.00 C ATOM 1223 O ARG A 83 -12.567 2.475 8.684 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.460 4.595 7.482 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.395 5.590 6.813 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.644 6.808 6.303 1.00 0.00 C ATOM 1227 NE ARG A 83 -10.907 7.994 7.113 1.00 0.00 N ATOM 1228 CZ ARG A 83 -9.966 8.658 7.777 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -8.705 8.249 7.731 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -10.285 9.729 8.490 1.00 0.00 N ATOM 0 H ARG A 83 -9.970 3.517 5.301 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.177 2.478 7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.484 4.756 8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.440 4.791 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.909 5.105 5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.160 5.905 7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.574 6.600 6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.931 7.004 5.270 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.867 8.332 7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.456 7.424 7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.984 8.760 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.254 10.045 8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.561 10.237 8.999 1.00 0.00 H new ATOM 1244 N SER A 84 -13.168 3.099 6.605 1.00 0.00 N ATOM 1245 CA SER A 84 -14.594 2.893 6.838 1.00 0.00 C ATOM 1246 C SER A 84 -15.024 1.493 6.414 1.00 0.00 C ATOM 1247 O SER A 84 -16.046 0.984 6.874 1.00 0.00 O ATOM 1248 CB SER A 84 -15.409 3.942 6.078 1.00 0.00 C ATOM 1249 OG SER A 84 -16.801 3.707 6.215 1.00 0.00 O ATOM 0 H SER A 84 -12.936 3.426 5.667 1.00 0.00 H new ATOM 0 HA SER A 84 -14.780 2.998 7.907 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.167 4.936 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.136 3.924 5.023 1.00 0.00 H new ATOM 0 HG SER A 84 -17.299 4.392 5.721 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.242 0.877 5.532 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.561 -0.456 5.062 1.00 0.00 C ATOM 1257 C GLY A 85 -15.414 -0.416 3.814 1.00 0.00 C ATOM 1258 O GLY A 85 -16.563 0.021 3.854 1.00 0.00 O ATOM 0 H GLY A 85 -13.393 1.279 5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.639 -1.000 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.086 -1.003 5.845 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.845 -0.860 2.703 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.556 -0.855 1.434 1.00 0.00 C ATOM 1264 C GLU A 86 -15.491 -2.218 0.750 1.00 0.00 C ATOM 1265 O GLU A 86 -16.402 -2.592 0.011 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.972 0.222 0.521 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.656 1.573 0.654 1.00 0.00 C ATOM 1268 CD GLU A 86 -16.180 2.095 -0.670 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -15.359 2.537 -1.501 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -17.412 2.063 -0.875 1.00 0.00 O ATOM 0 H GLU A 86 -13.895 -1.228 2.655 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.605 -0.635 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.911 0.338 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.046 -0.112 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.482 1.490 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.952 2.293 1.071 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.410 -2.954 0.998 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.225 -4.275 0.399 1.00 0.00 C ATOM 1279 C LYS A 87 -14.377 -4.202 -1.118 1.00 0.00 C ATOM 1280 O LYS A 87 -15.460 -4.433 -1.657 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.227 -5.275 0.981 1.00 0.00 C ATOM 1282 CG LYS A 87 -15.371 -5.184 2.493 1.00 0.00 C ATOM 1283 CD LYS A 87 -16.696 -4.553 2.892 1.00 0.00 C ATOM 1284 CE LYS A 87 -16.754 -4.285 4.387 1.00 0.00 C ATOM 1285 NZ LYS A 87 -18.049 -3.675 4.795 1.00 0.00 N ATOM 0 H LYS A 87 -13.649 -2.659 1.609 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.216 -4.616 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.201 -5.110 0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.916 -6.285 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.297 -6.181 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.549 -4.596 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.835 -3.619 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.516 -5.213 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.607 -5.219 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.936 -3.621 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.046 -3.509 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.179 -2.771 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.828 -4.319 4.551 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.283 -3.874 -1.797 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.293 -3.762 -3.251 1.00 0.00 C ATOM 1301 C ILE A 88 -12.038 -4.374 -3.869 1.00 0.00 C ATOM 1302 O ILE A 88 -10.952 -4.300 -3.293 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.414 -2.293 -3.708 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.184 -1.482 -3.269 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -14.697 -1.672 -3.173 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -12.166 -1.125 -1.797 1.00 0.00 C ATOM 0 H ILE A 88 -12.379 -3.681 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.167 -4.314 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.456 -2.274 -4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.285 -2.052 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.141 -0.563 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.766 -0.636 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.555 -2.231 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.690 -1.704 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.265 -0.554 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -13.045 -0.526 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.175 -2.038 -1.201 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.169 -4.983 -5.062 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.047 -5.599 -5.764 1.00 0.00 C ATOM 1320 C PRO A 89 -10.135 -4.552 -6.392 1.00 0.00 C ATOM 1321 O PRO A 89 -10.599 -3.648 -7.086 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.707 -6.454 -6.854 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.184 -6.366 -6.619 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.414 -5.112 -5.826 1.00 0.00 C ATOM 0 HA PRO A 89 -10.416 -6.179 -5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.448 -6.086 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.365 -7.487 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.726 -6.333 -7.564 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.543 -7.240 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.585 -4.250 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.283 -5.199 -5.173 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.837 -4.676 -6.140 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.865 -3.732 -6.682 1.00 0.00 C ATOM 1334 C VAL A 90 -6.520 -4.400 -6.935 1.00 0.00 C ATOM 1335 O VAL A 90 -6.191 -5.414 -6.323 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.648 -2.537 -5.735 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.517 -1.360 -6.146 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.924 -2.936 -4.295 1.00 0.00 C ATOM 0 H VAL A 90 -8.434 -5.417 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.277 -3.376 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.605 -2.229 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.348 -0.527 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.261 -1.056 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.566 -1.652 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.765 -2.077 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.956 -3.275 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.250 -3.742 -4.005 1.00 0.00 H new ATOM 1348 N SER A 91 -5.743 -3.804 -7.830 1.00 0.00 N ATOM 1349 CA SER A 91 -4.420 -4.315 -8.163 1.00 0.00 C ATOM 1350 C SER A 91 -3.363 -3.601 -7.333 1.00 0.00 C ATOM 1351 O SER A 91 -3.285 -2.371 -7.344 1.00 0.00 O ATOM 1352 CB SER A 91 -4.134 -4.124 -9.655 1.00 0.00 C ATOM 1353 OG SER A 91 -5.276 -4.433 -10.436 1.00 0.00 O ATOM 0 H SER A 91 -6.008 -2.962 -8.341 1.00 0.00 H new ATOM 0 HA SER A 91 -4.390 -5.381 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.830 -3.094 -9.841 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.302 -4.761 -9.954 1.00 0.00 H new ATOM 0 HG SER A 91 -5.069 -4.302 -11.385 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.551 -4.365 -6.610 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.510 -3.779 -5.778 1.00 0.00 C ATOM 1361 C VAL A 92 -0.134 -4.321 -6.144 1.00 0.00 C ATOM 1362 O VAL A 92 0.040 -5.520 -6.356 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.767 -4.036 -4.282 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.645 -3.450 -3.437 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.115 -3.466 -3.866 1.00 0.00 C ATOM 0 H VAL A 92 -2.594 -5.384 -6.584 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.535 -2.705 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.788 -5.113 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.845 -3.642 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.301 -3.913 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.586 -2.375 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.279 -3.657 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.127 -2.391 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.906 -3.941 -4.447 1.00 0.00 H new ATOM 1375 N TRP A 93 0.843 -3.422 -6.203 1.00 0.00 N ATOM 1376 CA TRP A 93 2.209 -3.804 -6.526 1.00 0.00 C ATOM 1377 C TRP A 93 3.200 -3.071 -5.629 1.00 0.00 C ATOM 1378 O TRP A 93 3.360 -1.854 -5.723 1.00 0.00 O ATOM 1379 CB TRP A 93 2.540 -3.545 -8.005 1.00 0.00 C ATOM 1380 CG TRP A 93 1.582 -2.629 -8.720 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.255 -2.848 -8.966 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.893 -1.361 -9.307 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.279 -1.785 -9.657 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.707 -0.860 -9.879 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.059 -0.595 -9.399 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.657 0.367 -10.535 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.008 0.624 -10.050 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.813 1.094 -10.610 1.00 0.00 C ATOM 0 H TRP A 93 0.712 -2.425 -6.031 1.00 0.00 H new ATOM 0 HA TRP A 93 2.296 -4.876 -6.348 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.542 -3.120 -8.069 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.565 -4.500 -8.529 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.294 -3.727 -8.662 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.251 -1.699 -9.955 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.984 -0.949 -8.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.262 0.732 -10.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.903 1.223 -10.128 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.804 2.050 -11.111 1.00 0.00 H new ATOM 1399 N MET A 94 3.853 -3.825 -4.748 1.00 0.00 N ATOM 1400 CA MET A 94 4.821 -3.258 -3.821 1.00 0.00 C ATOM 1401 C MET A 94 6.248 -3.452 -4.323 1.00 0.00 C ATOM 1402 O MET A 94 6.557 -4.450 -4.976 1.00 0.00 O ATOM 1403 CB MET A 94 4.663 -3.901 -2.443 1.00 0.00 C ATOM 1404 CG MET A 94 5.041 -2.981 -1.297 1.00 0.00 C ATOM 1405 SD MET A 94 4.479 -3.595 0.303 1.00 0.00 S ATOM 1406 CE MET A 94 4.439 -2.077 1.252 1.00 0.00 C ATOM 0 H MET A 94 3.727 -4.833 -4.659 1.00 0.00 H new ATOM 0 HA MET A 94 4.630 -2.187 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.628 -4.219 -2.316 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.281 -4.798 -2.397 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.124 -2.861 -1.275 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.614 -1.994 -1.473 1.00 0.00 H new ATOM 0 HE1 MET A 94 3.557 -2.072 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.336 -2.009 1.868 1.00 0.00 H new ATOM 0 HE3 MET A 94 4.399 -1.225 0.574 1.00 0.00 H new ATOM 1416 N LYS A 95 7.112 -2.491 -4.009 1.00 0.00 N ATOM 1417 CA LYS A 95 8.512 -2.552 -4.422 1.00 0.00 C ATOM 1418 C LYS A 95 9.417 -1.948 -3.352 1.00 0.00 C ATOM 1419 O LYS A 95 9.302 -0.769 -3.019 1.00 0.00 O ATOM 1420 CB LYS A 95 8.709 -1.817 -5.750 1.00 0.00 C ATOM 1421 CG LYS A 95 8.000 -0.473 -5.815 1.00 0.00 C ATOM 1422 CD LYS A 95 6.829 -0.506 -6.783 1.00 0.00 C ATOM 1423 CE LYS A 95 7.278 -0.238 -8.211 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.119 1.194 -8.586 1.00 0.00 N ATOM 0 H LYS A 95 6.868 -1.660 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 95 8.782 -3.600 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.775 -1.664 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.348 -2.448 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.644 -0.200 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.707 0.298 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.340 -1.479 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.090 0.239 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.323 -0.528 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.699 -0.858 -8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.673 1.392 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.115 1.396 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.458 1.796 -7.809 1.00 0.00 H new ATOM 1438 N ARG A 96 10.313 -2.767 -2.810 1.00 0.00 N ATOM 1439 CA ARG A 96 11.234 -2.321 -1.773 1.00 0.00 C ATOM 1440 C ARG A 96 12.473 -1.664 -2.378 1.00 0.00 C ATOM 1441 O ARG A 96 13.584 -1.845 -1.883 1.00 0.00 O ATOM 1442 CB ARG A 96 11.645 -3.500 -0.888 1.00 0.00 C ATOM 1443 CG ARG A 96 12.281 -4.644 -1.657 1.00 0.00 C ATOM 1444 CD ARG A 96 11.418 -5.895 -1.609 1.00 0.00 C ATOM 1445 NE ARG A 96 12.190 -7.081 -1.246 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.939 -7.766 -2.104 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.014 -7.388 -3.372 1.00 0.00 N ATOM 1448 NH2 ARG A 96 13.611 -8.832 -1.694 1.00 0.00 N ATOM 0 H ARG A 96 10.420 -3.746 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 96 10.719 -1.578 -1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.346 -3.148 -0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.766 -3.872 -0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.434 -4.346 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.264 -4.862 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.613 -5.752 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.951 -6.050 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 96 12.152 -7.402 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.496 -6.569 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.590 -7.916 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.554 -9.127 -0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.186 -9.357 -2.353 1.00 0.00 H new ATOM 1462 N MET A 97 12.275 -0.887 -3.439 1.00 0.00 N ATOM 1463 CA MET A 97 13.379 -0.195 -4.092 1.00 0.00 C ATOM 1464 C MET A 97 13.826 0.987 -3.241 1.00 0.00 C ATOM 1465 O MET A 97 13.287 1.209 -2.159 1.00 0.00 O ATOM 1466 CB MET A 97 12.963 0.280 -5.488 1.00 0.00 C ATOM 1467 CG MET A 97 12.098 1.530 -5.478 1.00 0.00 C ATOM 1468 SD MET A 97 11.865 2.228 -7.124 1.00 0.00 S ATOM 1469 CE MET A 97 10.587 1.152 -7.772 1.00 0.00 C ATOM 0 H MET A 97 11.362 -0.722 -3.863 1.00 0.00 H new ATOM 0 HA MET A 97 14.213 -0.888 -4.200 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.859 0.474 -6.078 1.00 0.00 H new ATOM 0 HB3 MET A 97 12.420 -0.522 -5.988 1.00 0.00 H new ATOM 0 HG2 MET A 97 11.125 1.290 -5.048 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.556 2.279 -4.832 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.766 0.972 -8.832 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.603 0.204 -7.235 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.613 1.625 -7.644 1.00 0.00 H new ATOM 1479 N ARG A 98 14.804 1.748 -3.722 1.00 0.00 N ATOM 1480 CA ARG A 98 15.300 2.899 -2.978 1.00 0.00 C ATOM 1481 C ARG A 98 14.769 4.203 -3.565 1.00 0.00 C ATOM 1482 O ARG A 98 14.701 4.367 -4.783 1.00 0.00 O ATOM 1483 CB ARG A 98 16.829 2.912 -2.974 1.00 0.00 C ATOM 1484 CG ARG A 98 17.432 2.151 -1.807 1.00 0.00 C ATOM 1485 CD ARG A 98 18.301 3.049 -0.943 1.00 0.00 C ATOM 1486 NE ARG A 98 19.665 3.149 -1.453 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.081 4.116 -2.266 1.00 0.00 C ATOM 1488 NH1 ARG A 98 19.239 5.064 -2.658 1.00 0.00 N ATOM 1489 NH2 ARG A 98 21.338 4.138 -2.686 1.00 0.00 N ATOM 0 H ARG A 98 15.266 1.590 -4.618 1.00 0.00 H new ATOM 0 HA ARG A 98 14.942 2.814 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.192 2.480 -3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.177 3.945 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.634 1.723 -1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.028 1.320 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.858 4.044 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.323 2.661 0.075 1.00 0.00 H new ATOM 0 HE ARG A 98 20.338 2.437 -1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.271 5.052 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.560 5.805 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.989 3.412 -2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.654 4.881 -3.309 1.00 0.00 H new ATOM 1503 N GLN A 99 14.396 5.126 -2.686 1.00 0.00 N ATOM 1504 CA GLN A 99 13.871 6.419 -3.109 1.00 0.00 C ATOM 1505 C GLN A 99 14.796 7.551 -2.670 1.00 0.00 C ATOM 1506 O GLN A 99 14.796 8.631 -3.260 1.00 0.00 O ATOM 1507 CB GLN A 99 12.470 6.640 -2.534 1.00 0.00 C ATOM 1508 CG GLN A 99 11.463 5.582 -2.963 1.00 0.00 C ATOM 1509 CD GLN A 99 10.293 6.167 -3.728 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.138 6.242 -3.077 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.424 6.546 -4.892 1.00 0.00 N flip ATOM 0 H GLN A 99 14.447 5.003 -1.675 1.00 0.00 H new ATOM 0 HA GLN A 99 13.813 6.420 -4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.530 6.652 -1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.109 7.621 -2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.964 4.840 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.091 5.061 -2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.330 6.470 -5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.626 6.936 -5.394 1.00 0.00 H new ATOM 1520 N GLU A 100 15.585 7.293 -1.629 1.00 0.00 N ATOM 1521 CA GLU A 100 16.516 8.288 -1.111 1.00 0.00 C ATOM 1522 C GLU A 100 17.809 7.630 -0.640 1.00 0.00 C ATOM 1523 O GLU A 100 18.802 7.602 -1.367 1.00 0.00 O ATOM 1524 CB GLU A 100 15.873 9.068 0.038 1.00 0.00 C ATOM 1525 CG GLU A 100 15.781 10.563 -0.219 1.00 0.00 C ATOM 1526 CD GLU A 100 14.369 11.016 -0.530 1.00 0.00 C ATOM 1527 OE1 GLU A 100 13.448 10.645 0.227 1.00 0.00 O ATOM 1528 OE2 GLU A 100 14.183 11.742 -1.530 1.00 0.00 O ATOM 0 H GLU A 100 15.597 6.404 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 100 16.758 8.980 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.872 8.676 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.449 8.899 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.147 11.101 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.434 10.826 -1.051 1.00 0.00 H new ATOM 1535 N ARG A 101 17.792 7.101 0.580 1.00 0.00 N ATOM 1536 CA ARG A 101 18.965 6.442 1.146 1.00 0.00 C ATOM 1537 C ARG A 101 18.585 5.104 1.770 1.00 0.00 C ATOM 1538 O ARG A 101 19.443 4.367 2.255 1.00 0.00 O ATOM 1539 CB ARG A 101 19.625 7.338 2.196 1.00 0.00 C ATOM 1540 CG ARG A 101 18.646 7.922 3.204 1.00 0.00 C ATOM 1541 CD ARG A 101 19.002 7.518 4.625 1.00 0.00 C ATOM 1542 NE ARG A 101 20.437 7.597 4.876 1.00 0.00 N ATOM 1543 CZ ARG A 101 21.058 8.704 5.277 1.00 0.00 C ATOM 1544 NH1 ARG A 101 20.369 9.820 5.477 1.00 0.00 N ATOM 1545 NH2 ARG A 101 22.368 8.694 5.479 1.00 0.00 N ATOM 0 H ARG A 101 16.979 7.116 1.196 1.00 0.00 H new ATOM 0 HA ARG A 101 19.674 6.260 0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.381 6.762 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.143 8.154 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.644 9.009 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.637 7.583 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.476 8.164 5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.658 6.500 4.809 1.00 0.00 H new ATOM 0 HE ARG A 101 20.997 6.756 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.361 9.831 5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.848 10.667 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.901 7.838 5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.843 9.543 5.786 1.00 0.00 H new ATOM 1559 N ARG A 102 17.293 4.798 1.749 1.00 0.00 N ATOM 1560 CA ARG A 102 16.788 3.549 2.307 1.00 0.00 C ATOM 1561 C ARG A 102 15.756 2.924 1.373 1.00 0.00 C ATOM 1562 O ARG A 102 15.004 3.635 0.705 1.00 0.00 O ATOM 1563 CB ARG A 102 16.177 3.803 3.694 1.00 0.00 C ATOM 1564 CG ARG A 102 14.900 3.018 3.976 1.00 0.00 C ATOM 1565 CD ARG A 102 14.052 3.689 5.046 1.00 0.00 C ATOM 1566 NE ARG A 102 14.864 4.242 6.126 1.00 0.00 N ATOM 1567 CZ ARG A 102 15.483 3.499 7.038 1.00 0.00 C ATOM 1568 NH1 ARG A 102 15.392 2.177 6.994 1.00 0.00 N ATOM 1569 NH2 ARG A 102 16.197 4.078 7.994 1.00 0.00 N ATOM 0 H ARG A 102 16.573 5.401 1.350 1.00 0.00 H new ATOM 0 HA ARG A 102 17.618 2.851 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 102 16.917 3.554 4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.964 4.867 3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.320 2.924 3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.157 2.008 4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.462 4.486 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.348 2.965 5.457 1.00 0.00 H new ATOM 0 HE ARG A 102 14.962 5.256 6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.846 1.728 6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 102 15.868 1.609 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.272 5.095 8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 102 16.671 3.507 8.693 1.00 0.00 H new ATOM 1583 N LEU A 103 15.720 1.595 1.331 1.00 0.00 N ATOM 1584 CA LEU A 103 14.767 0.894 0.475 1.00 0.00 C ATOM 1585 C LEU A 103 13.343 1.187 0.926 1.00 0.00 C ATOM 1586 O LEU A 103 12.863 0.625 1.911 1.00 0.00 O ATOM 1587 CB LEU A 103 15.007 -0.621 0.488 1.00 0.00 C ATOM 1588 CG LEU A 103 16.279 -1.083 1.201 1.00 0.00 C ATOM 1589 CD1 LEU A 103 16.010 -2.355 1.993 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.396 -1.304 0.194 1.00 0.00 C ATOM 0 H LEU A 103 16.333 0.987 1.874 1.00 0.00 H new ATOM 0 HA LEU A 103 14.912 1.254 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.151 -1.102 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.041 -0.974 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 103 16.592 -0.305 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.924 -2.671 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.236 -2.164 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 103 15.677 -3.142 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.295 -1.633 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.093 -2.066 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.601 -0.372 -0.332 1.00 0.00 H new ATOM 1602 N CYS A 104 12.669 2.074 0.201 1.00 0.00 N ATOM 1603 CA CYS A 104 11.302 2.442 0.529 1.00 0.00 C ATOM 1604 C CYS A 104 10.305 1.599 -0.259 1.00 0.00 C ATOM 1605 O CYS A 104 10.382 1.510 -1.484 1.00 0.00 O ATOM 1606 CB CYS A 104 11.069 3.926 0.243 1.00 0.00 C ATOM 1607 SG CYS A 104 12.276 5.027 1.018 1.00 0.00 S ATOM 0 H CYS A 104 13.050 2.550 -0.617 1.00 0.00 H new ATOM 0 HA CYS A 104 11.148 2.254 1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.089 4.084 -0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.071 4.199 0.587 1.00 0.00 H new ATOM 0 HG CYS A 104 13.456 4.483 0.965 1.00 0.00 H new ATOM 1613 N CYS A 105 9.368 0.990 0.458 1.00 0.00 N ATOM 1614 CA CYS A 105 8.346 0.162 -0.165 1.00 0.00 C ATOM 1615 C CYS A 105 7.239 1.036 -0.743 1.00 0.00 C ATOM 1616 O CYS A 105 6.594 1.797 -0.022 1.00 0.00 O ATOM 1617 CB CYS A 105 7.767 -0.812 0.863 1.00 0.00 C ATOM 1618 SG CYS A 105 7.909 -2.553 0.394 1.00 0.00 S ATOM 0 H CYS A 105 9.296 1.055 1.473 1.00 0.00 H new ATOM 0 HA CYS A 105 8.799 -0.407 -0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.274 -0.661 1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 105 6.715 -0.574 1.021 1.00 0.00 H new ATOM 0 HG CYS A 105 6.749 -3.128 0.505 1.00 0.00 H new ATOM 1624 N VAL A 106 7.024 0.924 -2.049 1.00 0.00 N ATOM 1625 CA VAL A 106 5.999 1.703 -2.729 1.00 0.00 C ATOM 1626 C VAL A 106 4.842 0.817 -3.173 1.00 0.00 C ATOM 1627 O VAL A 106 5.053 -0.247 -3.754 1.00 0.00 O ATOM 1628 CB VAL A 106 6.576 2.435 -3.958 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.483 3.183 -4.706 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.689 3.384 -3.539 1.00 0.00 C ATOM 0 H VAL A 106 7.549 0.298 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 106 5.633 2.441 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 106 6.996 1.689 -4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.915 3.691 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.724 2.477 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.026 3.918 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.084 3.892 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.294 4.122 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.487 2.819 -3.057 1.00 0.00 H new ATOM 1640 N VAL A 107 3.620 1.260 -2.900 1.00 0.00 N ATOM 1641 CA VAL A 107 2.429 0.505 -3.272 1.00 0.00 C ATOM 1642 C VAL A 107 1.486 1.363 -4.111 1.00 0.00 C ATOM 1643 O VAL A 107 1.256 2.532 -3.800 1.00 0.00 O ATOM 1644 CB VAL A 107 1.693 -0.026 -2.017 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.190 0.218 -2.096 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.984 -1.505 -1.822 1.00 0.00 C ATOM 0 H VAL A 107 3.428 2.140 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 107 2.749 -0.349 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 107 2.068 0.526 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.289 -0.169 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.001 1.288 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.216 -0.290 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.460 -1.865 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.644 -2.061 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.057 -1.651 -1.694 1.00 0.00 H new ATOM 1656 N VAL A 108 0.941 0.778 -5.172 1.00 0.00 N ATOM 1657 CA VAL A 108 0.024 1.495 -6.046 1.00 0.00 C ATOM 1658 C VAL A 108 -1.291 0.744 -6.208 1.00 0.00 C ATOM 1659 O VAL A 108 -1.334 -0.333 -6.805 1.00 0.00 O ATOM 1660 CB VAL A 108 0.635 1.747 -7.435 1.00 0.00 C ATOM 1661 CG1 VAL A 108 -0.194 2.761 -8.208 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.079 2.213 -7.312 1.00 0.00 C ATOM 0 H VAL A 108 1.119 -0.188 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.167 2.456 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 108 0.628 0.807 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.254 2.926 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.209 2.383 -8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.222 3.702 -7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.492 2.385 -8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.115 3.139 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.666 1.448 -6.803 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.363 1.318 -5.669 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.683 0.709 -5.744 1.00 0.00 C ATOM 1674 C LEU A 109 -4.448 1.216 -6.958 1.00 0.00 C ATOM 1675 O LEU A 109 -4.698 2.414 -7.094 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.456 1.015 -4.470 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.580 1.148 -3.225 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.224 2.074 -2.209 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.316 -0.223 -2.628 1.00 0.00 C ATOM 0 H LEU A 109 -2.340 2.209 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.565 -0.370 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.013 1.941 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.188 0.225 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.625 1.588 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.583 2.153 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.359 3.061 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.194 1.673 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.691 -0.119 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.262 -0.688 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.805 -0.847 -3.361 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.820 0.297 -7.838 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.561 0.647 -9.042 1.00 0.00 C ATOM 1693 C GLU A 110 -6.851 -0.159 -9.137 1.00 0.00 C ATOM 1694 O GLU A 110 -6.819 -1.388 -9.192 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.701 0.408 -10.285 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.863 1.477 -11.352 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.677 1.547 -12.294 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -2.965 0.530 -12.430 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -3.462 2.618 -12.899 1.00 0.00 O ATOM 0 H GLU A 110 -4.620 -0.699 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.817 1.705 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.653 0.359 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.957 -0.562 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.767 1.277 -11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.998 2.446 -10.872 1.00 0.00 H new ATOM 1706 N PRO A 111 -8.009 0.524 -9.156 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.310 -0.140 -9.242 1.00 0.00 C ATOM 1708 C PRO A 111 -9.384 -1.090 -10.433 1.00 0.00 C ATOM 1709 O PRO A 111 -8.977 -0.741 -11.542 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.313 1.010 -9.403 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.500 2.233 -9.680 1.00 0.00 C ATOM 1712 CD PRO A 111 -8.139 1.985 -9.095 1.00 0.00 C ATOM 0 HA PRO A 111 -9.508 -0.756 -8.365 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.007 0.810 -10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.910 1.135 -8.500 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.433 2.419 -10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.960 3.114 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.357 2.483 -9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.067 2.353 -8.072 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.893 -2.294 -10.195 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.004 -3.296 -11.251 1.00 0.00 C ATOM 1722 C VAL A 112 -11.022 -2.880 -12.307 1.00 0.00 C ATOM 1723 O VAL A 112 -11.954 -2.128 -12.026 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.407 -4.671 -10.682 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.343 -5.189 -9.728 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.760 -4.592 -9.992 1.00 0.00 C ATOM 0 H VAL A 112 -10.234 -2.600 -9.284 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.020 -3.374 -11.712 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.491 -5.373 -11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.646 -6.160 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.397 -5.291 -10.259 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.222 -4.488 -8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.025 -5.573 -9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.710 -3.874 -9.174 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.516 -4.273 -10.709 1.00 0.00 H new