USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 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 46 THR OG1 : rot -130:sc= -0.651 USER MOD Set 1.2: A 55 GLN : amide:sc= 0.0188 X(o=-0.5,f=-0.5) USER MOD Set 1.3: A 96 TYR OH : rot 42:sc= 0.136 USER MOD Set 2.1: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 117 THR OG1 : rot 180:sc= -1.47 USER MOD Set 3.1: A 16 ASN : amide:sc= -0.392 K(o=-0.84,f=-14!) USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 21 LYS NZ :NH3+ -145:sc= -1.15 (180deg=-1.89) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 34:sc= -0.04 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -4.91 K(o=-4.9,f=-9.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.39 F(o=-3,f=-1.4) USER MOD Single : A 45 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0411 F(o=-0.56,f=-0.041) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -20:sc= 0.227 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -33:sc= 0.444 USER MOD Single : A 80 MET CE :methyl -170:sc= -1.38 (180deg=-1.46) USER MOD Single : A 87 MET CE :methyl -177:sc= 0 (180deg=-0.0204) USER MOD Single : A 89 THR OG1 : rot 58:sc= 0.167 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 55:sc= -0.109 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.671 F(o=-1.7!,f=-0.67) USER MOD Single : A 113 CYS SG : rot 180:sc= -0.0344 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.666 -11.402 3.585 1.00 0.00 N ATOM 121 CA LEU A 11 -7.644 -11.486 2.507 1.00 0.00 C ATOM 122 C LEU A 11 -6.953 -11.636 1.155 1.00 0.00 C ATOM 123 O LEU A 11 -6.058 -10.863 0.815 1.00 0.00 O ATOM 124 CB LEU A 11 -8.535 -10.242 2.501 1.00 0.00 C ATOM 125 CG LEU A 11 -9.345 -10.003 1.227 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.651 -9.293 1.550 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.534 -9.198 0.222 1.00 0.00 C ATOM 0 HA LEU A 11 -8.262 -12.367 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.227 -10.311 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.907 -9.369 2.677 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.580 -10.970 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.214 -9.131 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.239 -9.906 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.437 -8.332 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.127 -9.038 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.268 -8.235 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.626 -9.744 -0.034 1.00 0.00 H new ATOM 139 N ASP A 12 -7.376 -12.635 0.388 1.00 0.00 N ATOM 140 CA ASP A 12 -6.801 -12.885 -0.928 1.00 0.00 C ATOM 141 C ASP A 12 -7.457 -12.002 -1.985 1.00 0.00 C ATOM 142 O ASP A 12 -8.570 -12.279 -2.434 1.00 0.00 O ATOM 143 CB ASP A 12 -6.959 -14.358 -1.306 1.00 0.00 C ATOM 144 CG ASP A 12 -8.287 -14.933 -0.854 1.00 0.00 C ATOM 145 OD1 ASP A 12 -8.374 -15.383 0.308 1.00 0.00 O ATOM 146 OD2 ASP A 12 -9.239 -14.931 -1.661 1.00 0.00 O ATOM 0 H ASP A 12 -8.115 -13.285 0.655 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.739 -12.641 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.870 -14.464 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.147 -14.933 -0.861 1.00 0.00 H new ATOM 151 N ILE A 13 -6.762 -10.940 -2.376 1.00 0.00 N ATOM 152 CA ILE A 13 -7.279 -10.017 -3.380 1.00 0.00 C ATOM 153 C ILE A 13 -7.278 -10.655 -4.765 1.00 0.00 C ATOM 154 O ILE A 13 -8.196 -10.444 -5.559 1.00 0.00 O ATOM 155 CB ILE A 13 -6.455 -8.717 -3.426 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.627 -7.932 -2.123 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.869 -7.869 -4.619 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.574 -6.867 -1.916 1.00 0.00 C ATOM 0 H ILE A 13 -5.840 -10.697 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.303 -9.779 -3.093 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.402 -8.976 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.611 -7.464 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.600 -8.627 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.277 -6.954 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.701 -8.429 -5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.926 -7.616 -4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.758 -6.351 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.588 -7.331 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.616 -6.150 -2.736 1.00 0.00 H new ATOM 170 N LEU A 14 -6.243 -11.437 -5.049 1.00 0.00 N ATOM 171 CA LEU A 14 -6.122 -12.109 -6.339 1.00 0.00 C ATOM 172 C LEU A 14 -6.607 -13.552 -6.248 1.00 0.00 C ATOM 173 O LEU A 14 -7.096 -14.116 -7.226 1.00 0.00 O ATOM 174 CB LEU A 14 -4.671 -12.076 -6.820 1.00 0.00 C ATOM 175 CG LEU A 14 -4.051 -10.688 -6.989 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.590 -10.801 -7.394 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.830 -9.878 -8.016 1.00 0.00 C ATOM 0 H LEU A 14 -5.475 -11.622 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.748 -11.579 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.062 -12.640 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.614 -12.596 -7.776 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.102 -10.170 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.166 -9.803 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.040 -11.342 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.515 -11.339 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.375 -8.893 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.811 -10.393 -8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.862 -9.767 -7.684 1.00 0.00 H new ATOM 189 N GLY A 15 -6.470 -14.144 -5.066 1.00 0.00 N ATOM 190 CA GLY A 15 -6.901 -15.516 -4.869 1.00 0.00 C ATOM 191 C GLY A 15 -5.737 -16.485 -4.804 1.00 0.00 C ATOM 192 O GLY A 15 -5.784 -17.475 -4.074 1.00 0.00 O ATOM 0 H GLY A 15 -6.068 -13.698 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.478 -15.584 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.566 -15.805 -5.683 1.00 0.00 H new ATOM 196 N ASN A 16 -4.689 -16.202 -5.571 1.00 0.00 N ATOM 197 CA ASN A 16 -3.509 -17.058 -5.599 1.00 0.00 C ATOM 198 C ASN A 16 -2.884 -17.169 -4.212 1.00 0.00 C ATOM 199 O ASN A 16 -2.404 -18.232 -3.819 1.00 0.00 O ATOM 200 CB ASN A 16 -2.480 -16.511 -6.591 1.00 0.00 C ATOM 201 CG ASN A 16 -2.313 -15.008 -6.480 1.00 0.00 C ATOM 202 OD1 ASN A 16 -2.211 -14.463 -5.381 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.283 -14.330 -7.622 1.00 0.00 N ATOM 0 H ASN A 16 -4.633 -15.387 -6.181 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.820 -18.052 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.519 -16.995 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.786 -16.766 -7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.172 -13.316 -7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.371 -14.823 -8.510 1.00 0.00 H new ATOM 210 N GLY A 17 -2.895 -16.063 -3.473 1.00 0.00 N ATOM 211 CA GLY A 17 -2.327 -16.058 -2.138 1.00 0.00 C ATOM 212 C GLY A 17 -1.197 -15.059 -1.992 1.00 0.00 C ATOM 213 O GLY A 17 -0.789 -14.729 -0.877 1.00 0.00 O ATOM 0 H GLY A 17 -3.287 -15.171 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.109 -15.826 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.959 -17.056 -1.900 1.00 0.00 H new ATOM 217 N LEU A 18 -0.688 -14.576 -3.120 1.00 0.00 N ATOM 218 CA LEU A 18 0.405 -13.609 -3.114 1.00 0.00 C ATOM 219 C LEU A 18 -0.057 -12.269 -2.549 1.00 0.00 C ATOM 220 O LEU A 18 0.418 -11.828 -1.502 1.00 0.00 O ATOM 221 CB LEU A 18 0.950 -13.417 -4.530 1.00 0.00 C ATOM 222 CG LEU A 18 1.991 -14.437 -4.992 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.022 -14.679 -3.900 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.319 -15.742 -5.391 1.00 0.00 C ATOM 0 H LEU A 18 -1.014 -14.838 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 18 1.198 -13.998 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.112 -13.442 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.391 -12.422 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 18 2.504 -14.034 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.755 -15.408 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.526 -13.742 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.525 -15.061 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.075 -16.456 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.780 -16.150 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.620 -15.557 -6.206 1.00 0.00 H new ATOM 236 N LEU A 19 -0.988 -11.628 -3.247 1.00 0.00 N ATOM 237 CA LEU A 19 -1.517 -10.339 -2.814 1.00 0.00 C ATOM 238 C LEU A 19 -2.508 -10.514 -1.668 1.00 0.00 C ATOM 239 O LEU A 19 -3.604 -11.041 -1.858 1.00 0.00 O ATOM 240 CB LEU A 19 -2.194 -9.625 -3.985 1.00 0.00 C ATOM 241 CG LEU A 19 -2.554 -8.156 -3.757 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.295 -7.311 -3.635 1.00 0.00 C ATOM 243 CD2 LEU A 19 -3.436 -7.642 -4.886 1.00 0.00 C ATOM 0 H LEU A 19 -1.392 -11.980 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.684 -9.732 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.536 -9.687 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.105 -10.167 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.111 -8.079 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.571 -6.269 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.700 -7.664 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.711 -7.394 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.682 -6.595 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.904 -7.733 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.354 -8.229 -4.927 1.00 0.00 H new ATOM 255 N ARG A 20 -2.115 -10.067 -0.480 1.00 0.00 N ATOM 256 CA ARG A 20 -2.969 -10.174 0.697 1.00 0.00 C ATOM 257 C ARG A 20 -3.203 -8.803 1.325 1.00 0.00 C ATOM 258 O ARG A 20 -2.433 -7.868 1.106 1.00 0.00 O ATOM 259 CB ARG A 20 -2.342 -11.117 1.725 1.00 0.00 C ATOM 260 CG ARG A 20 -2.168 -12.540 1.219 1.00 0.00 C ATOM 261 CD ARG A 20 -1.125 -13.295 2.028 1.00 0.00 C ATOM 262 NE ARG A 20 -1.715 -13.987 3.172 1.00 0.00 N ATOM 263 CZ ARG A 20 -1.027 -14.780 3.986 1.00 0.00 C ATOM 264 NH1 ARG A 20 0.268 -14.980 3.784 1.00 0.00 N ATOM 265 NH2 ARG A 20 -1.635 -15.374 5.005 1.00 0.00 N ATOM 0 H ARG A 20 -1.211 -9.627 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.930 -10.579 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.369 -10.724 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.965 -11.132 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.122 -13.065 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.873 -12.521 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.623 -14.019 1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.364 -12.598 2.379 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.709 -13.854 3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.739 -14.524 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.794 -15.589 4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.631 -15.222 5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.106 -15.983 5.630 1.00 0.00 H new ATOM 279 N LYS A 21 -4.271 -8.690 2.107 1.00 0.00 N ATOM 280 CA LYS A 21 -4.607 -7.435 2.768 1.00 0.00 C ATOM 281 C LYS A 21 -4.991 -7.673 4.225 1.00 0.00 C ATOM 282 O LYS A 21 -5.889 -8.462 4.520 1.00 0.00 O ATOM 283 CB LYS A 21 -5.756 -6.740 2.034 1.00 0.00 C ATOM 284 CG LYS A 21 -5.978 -5.303 2.474 1.00 0.00 C ATOM 285 CD LYS A 21 -7.043 -4.620 1.632 1.00 0.00 C ATOM 286 CE LYS A 21 -8.441 -5.071 2.028 1.00 0.00 C ATOM 287 NZ LYS A 21 -9.459 -4.017 1.765 1.00 0.00 N ATOM 0 H LYS A 21 -4.919 -9.454 2.299 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.726 -6.793 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.554 -6.756 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.674 -7.306 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.275 -5.284 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.042 -4.749 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.962 -3.539 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.873 -4.842 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.702 -5.974 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.453 -5.331 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.191 -4.050 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.002 -3.083 1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.896 -4.181 0.836 1.00 0.00 H new ATOM 301 N LYS A 22 -4.307 -6.986 5.133 1.00 0.00 N ATOM 302 CA LYS A 22 -4.577 -7.120 6.559 1.00 0.00 C ATOM 303 C LYS A 22 -4.966 -5.776 7.168 1.00 0.00 C ATOM 304 O LYS A 22 -4.122 -4.899 7.354 1.00 0.00 O ATOM 305 CB LYS A 22 -3.351 -7.683 7.281 1.00 0.00 C ATOM 306 CG LYS A 22 -3.540 -7.824 8.781 1.00 0.00 C ATOM 307 CD LYS A 22 -2.341 -8.491 9.434 1.00 0.00 C ATOM 308 CE LYS A 22 -1.148 -7.550 9.502 1.00 0.00 C ATOM 309 NZ LYS A 22 0.140 -8.293 9.592 1.00 0.00 N ATOM 0 H LYS A 22 -3.560 -6.330 4.906 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.412 -7.810 6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.109 -8.659 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.497 -7.033 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.696 -6.840 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.437 -8.409 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.607 -8.816 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.069 -9.384 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.138 -6.912 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.251 -6.895 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.929 -7.616 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.141 -8.883 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.251 -8.899 8.754 1.00 0.00 H new ATOM 323 N THR A 23 -6.250 -5.621 7.477 1.00 0.00 N ATOM 324 CA THR A 23 -6.750 -4.385 8.065 1.00 0.00 C ATOM 325 C THR A 23 -6.196 -4.181 9.471 1.00 0.00 C ATOM 326 O THR A 23 -6.642 -4.822 10.424 1.00 0.00 O ATOM 327 CB THR A 23 -8.289 -4.374 8.125 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.832 -4.580 6.816 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.800 -3.058 8.691 1.00 0.00 C ATOM 0 H THR A 23 -6.962 -6.336 7.330 1.00 0.00 H new ATOM 0 HA THR A 23 -6.413 -3.571 7.423 1.00 0.00 H new ATOM 0 HB THR A 23 -8.610 -5.182 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.811 -4.573 6.863 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.889 -3.074 8.723 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.409 -2.919 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.468 -2.236 8.057 1.00 0.00 H new ATOM 337 N LEU A 24 -5.224 -3.285 9.594 1.00 0.00 N ATOM 338 CA LEU A 24 -4.609 -2.995 10.885 1.00 0.00 C ATOM 339 C LEU A 24 -5.524 -2.126 11.741 1.00 0.00 C ATOM 340 O LEU A 24 -5.629 -2.321 12.952 1.00 0.00 O ATOM 341 CB LEU A 24 -3.263 -2.296 10.686 1.00 0.00 C ATOM 342 CG LEU A 24 -2.263 -3.012 9.777 1.00 0.00 C ATOM 343 CD1 LEU A 24 -0.978 -2.207 9.658 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.971 -4.410 10.301 1.00 0.00 C ATOM 0 H LEU A 24 -4.844 -2.746 8.816 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.447 -3.940 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.449 -1.303 10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.800 -2.157 11.663 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.705 -3.102 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.279 -2.732 9.007 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.200 -1.227 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.533 -2.084 10.645 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.258 -4.904 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.551 -4.342 11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.895 -4.987 10.333 1.00 0.00 H new ATOM 356 N VAL A 25 -6.188 -1.167 11.103 1.00 0.00 N ATOM 357 CA VAL A 25 -7.097 -0.270 11.806 1.00 0.00 C ATOM 358 C VAL A 25 -8.245 0.167 10.902 1.00 0.00 C ATOM 359 O VAL A 25 -8.083 0.999 10.009 1.00 0.00 O ATOM 360 CB VAL A 25 -6.363 0.981 12.325 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.338 1.930 13.004 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.243 0.584 13.275 1.00 0.00 C ATOM 0 H VAL A 25 -6.113 -0.992 10.101 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.496 -0.826 12.655 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.921 1.501 11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.801 2.807 13.364 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.101 2.239 12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.812 1.424 13.845 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.735 1.479 13.632 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.660 0.041 14.123 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.530 -0.053 12.751 1.00 0.00 H new ATOM 372 N PRO A 26 -9.435 -0.405 11.138 1.00 0.00 N ATOM 373 CA PRO A 26 -10.634 -0.089 10.357 1.00 0.00 C ATOM 374 C PRO A 26 -11.148 1.320 10.628 1.00 0.00 C ATOM 375 O PRO A 26 -10.924 1.877 11.702 1.00 0.00 O ATOM 376 CB PRO A 26 -11.651 -1.130 10.832 1.00 0.00 C ATOM 377 CG PRO A 26 -11.202 -1.501 12.203 1.00 0.00 C ATOM 378 CD PRO A 26 -9.701 -1.404 12.187 1.00 0.00 C ATOM 0 HA PRO A 26 -10.441 -0.119 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.661 -0.720 10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.667 -1.998 10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.629 -0.830 12.948 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.525 -2.510 12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.308 -1.087 13.153 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.239 -2.363 11.955 1.00 0.00 H new ATOM 386 N GLY A 27 -11.840 1.892 9.647 1.00 0.00 N ATOM 387 CA GLY A 27 -12.376 3.232 9.801 1.00 0.00 C ATOM 388 C GLY A 27 -13.822 3.230 10.255 1.00 0.00 C ATOM 389 O GLY A 27 -14.439 2.179 10.427 1.00 0.00 O ATOM 0 H GLY A 27 -12.039 1.451 8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.772 3.780 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.297 3.763 8.852 1.00 0.00 H new ATOM 393 N PRO A 28 -14.384 4.431 10.459 1.00 0.00 N ATOM 394 CA PRO A 28 -15.773 4.590 10.901 1.00 0.00 C ATOM 395 C PRO A 28 -16.773 4.196 9.820 1.00 0.00 C ATOM 396 O PRO A 28 -16.431 4.049 8.646 1.00 0.00 O ATOM 397 CB PRO A 28 -15.878 6.086 11.207 1.00 0.00 C ATOM 398 CG PRO A 28 -14.831 6.721 10.359 1.00 0.00 C ATOM 399 CD PRO A 28 -13.707 5.725 10.274 1.00 0.00 C ATOM 0 HA PRO A 28 -16.007 3.950 11.751 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.869 6.471 10.966 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.706 6.287 12.265 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.220 6.956 9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.489 7.659 10.797 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.196 5.777 9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.956 5.900 11.045 1.00 0.00 H new ATOM 407 N PRO A 29 -18.041 4.021 10.221 1.00 0.00 N ATOM 408 CA PRO A 29 -19.118 3.642 9.301 1.00 0.00 C ATOM 409 C PRO A 29 -19.476 4.766 8.335 1.00 0.00 C ATOM 410 O PRO A 29 -20.286 4.583 7.427 1.00 0.00 O ATOM 411 CB PRO A 29 -20.294 3.345 10.235 1.00 0.00 C ATOM 412 CG PRO A 29 -20.018 4.146 11.460 1.00 0.00 C ATOM 413 CD PRO A 29 -18.521 4.179 11.604 1.00 0.00 C ATOM 0 HA PRO A 29 -18.836 2.801 8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.242 3.631 9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.359 2.281 10.464 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.424 5.153 11.367 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.485 3.694 12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.180 5.117 12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.162 3.376 12.248 1.00 0.00 H new ATOM 421 N GLY A 30 -18.866 5.930 8.536 1.00 0.00 N ATOM 422 CA GLY A 30 -19.134 7.067 7.673 1.00 0.00 C ATOM 423 C GLY A 30 -18.257 7.076 6.437 1.00 0.00 C ATOM 424 O GLY A 30 -18.676 7.535 5.375 1.00 0.00 O ATOM 0 H GLY A 30 -18.191 6.106 9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.181 7.051 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.977 7.989 8.233 1.00 0.00 H new ATOM 428 N SER A 31 -17.036 6.569 6.576 1.00 0.00 N ATOM 429 CA SER A 31 -16.096 6.526 5.462 1.00 0.00 C ATOM 430 C SER A 31 -16.631 5.651 4.333 1.00 0.00 C ATOM 431 O SER A 31 -17.671 5.007 4.471 1.00 0.00 O ATOM 432 CB SER A 31 -14.739 5.997 5.933 1.00 0.00 C ATOM 433 OG SER A 31 -14.891 5.099 7.018 1.00 0.00 O ATOM 0 H SER A 31 -16.675 6.183 7.448 1.00 0.00 H new ATOM 0 HA SER A 31 -15.972 7.541 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.235 5.494 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.104 6.831 6.233 1.00 0.00 H new ATOM 0 HG SER A 31 -15.721 4.589 6.907 1.00 0.00 H new ATOM 439 N SER A 32 -15.912 5.633 3.215 1.00 0.00 N ATOM 440 CA SER A 32 -16.315 4.841 2.059 1.00 0.00 C ATOM 441 C SER A 32 -15.217 4.827 1.000 1.00 0.00 C ATOM 442 O SER A 32 -14.616 5.859 0.699 1.00 0.00 O ATOM 443 CB SER A 32 -17.610 5.396 1.460 1.00 0.00 C ATOM 444 OG SER A 32 -17.627 6.812 1.507 1.00 0.00 O ATOM 0 H SER A 32 -15.047 6.158 3.085 1.00 0.00 H new ATOM 0 HA SER A 32 -16.487 3.818 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.709 5.062 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.466 5.000 2.007 1.00 0.00 H new ATOM 0 HG SER A 32 -18.463 7.142 1.117 1.00 0.00 H new ATOM 450 N ARG A 33 -14.961 3.650 0.439 1.00 0.00 N ATOM 451 CA ARG A 33 -13.934 3.500 -0.586 1.00 0.00 C ATOM 452 C ARG A 33 -13.930 4.698 -1.531 1.00 0.00 C ATOM 453 O ARG A 33 -14.977 5.224 -1.910 1.00 0.00 O ATOM 454 CB ARG A 33 -14.160 2.211 -1.379 1.00 0.00 C ATOM 455 CG ARG A 33 -14.007 0.949 -0.546 1.00 0.00 C ATOM 456 CD ARG A 33 -13.776 -0.272 -1.422 1.00 0.00 C ATOM 457 NE ARG A 33 -14.305 -1.490 -0.814 1.00 0.00 N ATOM 458 CZ ARG A 33 -14.515 -2.616 -1.487 1.00 0.00 C ATOM 459 NH1 ARG A 33 -14.240 -2.679 -2.782 1.00 0.00 N ATOM 460 NH2 ARG A 33 -14.998 -3.683 -0.863 1.00 0.00 N ATOM 0 H ARG A 33 -15.450 2.787 0.676 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.965 3.448 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.160 2.231 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.454 2.176 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.171 1.066 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.902 0.800 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.248 -0.117 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.708 -0.392 -1.603 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.525 -1.475 0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.866 -1.862 -3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.402 -3.545 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.208 -3.639 0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.159 -4.547 -1.381 1.00 0.00 H new ATOM 474 N PRO A 34 -12.726 5.140 -1.922 1.00 0.00 N ATOM 475 CA PRO A 34 -12.556 6.280 -2.828 1.00 0.00 C ATOM 476 C PRO A 34 -13.010 5.963 -4.249 1.00 0.00 C ATOM 477 O PRO A 34 -13.641 4.936 -4.496 1.00 0.00 O ATOM 478 CB PRO A 34 -11.048 6.539 -2.793 1.00 0.00 C ATOM 479 CG PRO A 34 -10.446 5.227 -2.425 1.00 0.00 C ATOM 480 CD PRO A 34 -11.436 4.560 -1.510 1.00 0.00 C ATOM 0 HA PRO A 34 -13.156 7.137 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.683 6.884 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.795 7.309 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.263 4.619 -3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.486 5.364 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.426 3.477 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.218 4.768 -0.462 1.00 0.00 H new ATOM 488 N VAL A 35 -12.684 6.853 -5.181 1.00 0.00 N ATOM 489 CA VAL A 35 -13.057 6.668 -6.579 1.00 0.00 C ATOM 490 C VAL A 35 -11.825 6.643 -7.477 1.00 0.00 C ATOM 491 O VAL A 35 -10.826 7.306 -7.199 1.00 0.00 O ATOM 492 CB VAL A 35 -14.006 7.781 -7.059 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.564 9.131 -6.516 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.075 7.804 -8.578 1.00 0.00 C ATOM 0 H VAL A 35 -12.162 7.709 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.571 5.709 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.005 7.572 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.247 9.905 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.572 9.105 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.556 9.351 -6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.750 8.597 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.080 7.987 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.444 6.844 -8.940 1.00 0.00 H new ATOM 504 N LYS A 36 -11.904 5.873 -8.557 1.00 0.00 N ATOM 505 CA LYS A 36 -10.797 5.762 -9.500 1.00 0.00 C ATOM 506 C LYS A 36 -10.717 6.995 -10.394 1.00 0.00 C ATOM 507 O LYS A 36 -11.712 7.411 -10.985 1.00 0.00 O ATOM 508 CB LYS A 36 -10.956 4.506 -10.360 1.00 0.00 C ATOM 509 CG LYS A 36 -9.844 4.320 -11.377 1.00 0.00 C ATOM 510 CD LYS A 36 -9.994 3.011 -12.135 1.00 0.00 C ATOM 511 CE LYS A 36 -10.993 3.138 -13.275 1.00 0.00 C ATOM 512 NZ LYS A 36 -11.344 1.812 -13.855 1.00 0.00 N ATOM 0 H LYS A 36 -12.723 5.316 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.872 5.689 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.991 3.632 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.911 4.553 -10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.851 5.152 -12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.879 4.339 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.025 2.706 -12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.320 2.228 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.897 3.627 -12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.576 3.776 -14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.027 1.941 -14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.485 1.356 -14.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.766 1.211 -13.118 1.00 0.00 H new ATOM 526 N GLY A 37 -9.525 7.577 -10.488 1.00 0.00 N ATOM 527 CA GLY A 37 -9.337 8.756 -11.312 1.00 0.00 C ATOM 528 C GLY A 37 -9.134 10.013 -10.489 1.00 0.00 C ATOM 529 O GLY A 37 -9.010 11.107 -11.037 1.00 0.00 O ATOM 0 H GLY A 37 -8.686 7.252 -10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.474 8.608 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.205 8.885 -11.959 1.00 0.00 H new ATOM 533 N GLN A 38 -9.101 9.855 -9.170 1.00 0.00 N ATOM 534 CA GLN A 38 -8.914 10.987 -8.270 1.00 0.00 C ATOM 535 C GLN A 38 -7.547 10.926 -7.595 1.00 0.00 C ATOM 536 O GLN A 38 -6.878 9.893 -7.617 1.00 0.00 O ATOM 537 CB GLN A 38 -10.018 11.012 -7.212 1.00 0.00 C ATOM 538 CG GLN A 38 -11.350 11.525 -7.734 1.00 0.00 C ATOM 539 CD GLN A 38 -12.156 12.244 -6.671 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.257 11.820 -6.318 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.611 13.339 -6.154 1.00 0.00 N ATOM 0 H GLN A 38 -9.201 8.955 -8.701 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.966 11.901 -8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.155 10.005 -6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.698 11.639 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.172 12.202 -8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.931 10.688 -8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.696 13.654 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.107 13.865 -5.435 1.00 0.00 H new ATOM 550 N VAL A 39 -7.138 12.040 -6.997 1.00 0.00 N ATOM 551 CA VAL A 39 -5.852 12.114 -6.315 1.00 0.00 C ATOM 552 C VAL A 39 -5.933 11.503 -4.920 1.00 0.00 C ATOM 553 O VAL A 39 -6.478 12.109 -3.997 1.00 0.00 O ATOM 554 CB VAL A 39 -5.360 13.569 -6.198 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.256 13.678 -5.159 1.00 0.00 C ATOM 556 CG2 VAL A 39 -4.884 14.080 -7.550 1.00 0.00 C ATOM 0 H VAL A 39 -7.679 12.904 -6.971 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.143 11.546 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.194 14.191 -5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.921 14.713 -5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.635 13.355 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.418 13.044 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.540 15.109 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.064 13.456 -7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.707 14.041 -8.264 1.00 0.00 H new ATOM 566 N VAL A 40 -5.388 10.300 -4.774 1.00 0.00 N ATOM 567 CA VAL A 40 -5.397 9.607 -3.491 1.00 0.00 C ATOM 568 C VAL A 40 -4.049 9.732 -2.789 1.00 0.00 C ATOM 569 O VAL A 40 -3.007 9.405 -3.359 1.00 0.00 O ATOM 570 CB VAL A 40 -5.739 8.115 -3.661 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.241 7.897 -3.570 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.195 7.592 -4.983 1.00 0.00 C ATOM 0 H VAL A 40 -4.934 9.785 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.166 10.081 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.266 7.557 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.463 6.837 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.599 8.233 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.739 8.465 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.445 6.536 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.638 8.153 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.112 7.712 -5.004 1.00 0.00 H new ATOM 582 N THR A 41 -4.076 10.206 -1.548 1.00 0.00 N ATOM 583 CA THR A 41 -2.857 10.375 -0.767 1.00 0.00 C ATOM 584 C THR A 41 -2.832 9.427 0.426 1.00 0.00 C ATOM 585 O THR A 41 -3.710 9.475 1.288 1.00 0.00 O ATOM 586 CB THR A 41 -2.709 11.823 -0.262 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.002 12.743 -1.319 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.303 12.073 0.261 1.00 0.00 C ATOM 0 H THR A 41 -4.930 10.480 -1.061 1.00 0.00 H new ATOM 0 HA THR A 41 -2.023 10.142 -1.429 1.00 0.00 H new ATOM 0 HB THR A 41 -3.415 11.973 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.907 13.661 -0.989 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.223 13.102 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.095 11.391 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.582 11.905 -0.539 1.00 0.00 H new ATOM 596 N VAL A 42 -1.821 8.566 0.471 1.00 0.00 N ATOM 597 CA VAL A 42 -1.681 7.607 1.560 1.00 0.00 C ATOM 598 C VAL A 42 -0.229 7.495 2.011 1.00 0.00 C ATOM 599 O VAL A 42 0.680 7.992 1.344 1.00 0.00 O ATOM 600 CB VAL A 42 -2.188 6.212 1.149 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.455 6.329 0.315 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.108 5.455 0.390 1.00 0.00 C ATOM 0 H VAL A 42 -1.086 8.513 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.288 7.977 2.386 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.427 5.650 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.799 5.334 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.229 6.829 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.246 6.908 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.483 4.471 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.836 6.011 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.230 5.339 1.025 1.00 0.00 H new ATOM 612 N HIS A 43 -0.016 6.840 3.148 1.00 0.00 N ATOM 613 CA HIS A 43 1.327 6.662 3.688 1.00 0.00 C ATOM 614 C HIS A 43 1.763 5.203 3.589 1.00 0.00 C ATOM 615 O HIS A 43 1.172 4.323 4.217 1.00 0.00 O ATOM 616 CB HIS A 43 1.379 7.124 5.144 1.00 0.00 C ATOM 617 CG HIS A 43 2.760 7.118 5.725 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.856 6.396 5.395 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.136 7.925 6.778 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.865 6.777 6.246 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.405 7.701 7.070 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.756 6.424 3.713 1.00 0.00 H new ATOM 0 HA HIS A 43 2.013 7.269 3.097 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.970 8.132 5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.738 6.479 5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.494 8.630 7.285 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.871 6.385 6.242 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.939 8.163 7.806 1.00 0.00 H new ATOM 630 N LEU A 44 2.799 4.953 2.796 1.00 0.00 N ATOM 631 CA LEU A 44 3.314 3.600 2.614 1.00 0.00 C ATOM 632 C LEU A 44 4.810 3.543 2.908 1.00 0.00 C ATOM 633 O LEU A 44 5.496 4.565 2.885 1.00 0.00 O ATOM 634 CB LEU A 44 3.044 3.118 1.188 1.00 0.00 C ATOM 635 CG LEU A 44 4.198 3.276 0.196 1.00 0.00 C ATOM 636 CD1 LEU A 44 4.699 4.712 0.185 1.00 0.00 C ATOM 637 CD2 LEU A 44 5.329 2.317 0.537 1.00 0.00 C ATOM 0 H LEU A 44 3.299 5.669 2.269 1.00 0.00 H new ATOM 0 HA LEU A 44 2.799 2.944 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.768 2.064 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.181 3.659 0.800 1.00 0.00 H new ATOM 0 HG LEU A 44 3.831 3.033 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.520 4.806 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.887 5.378 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.049 4.983 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.141 2.443 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.695 2.528 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.962 1.291 0.493 1.00 0.00 H new ATOM 649 N GLN A 45 5.309 2.342 3.182 1.00 0.00 N ATOM 650 CA GLN A 45 6.724 2.152 3.478 1.00 0.00 C ATOM 651 C GLN A 45 7.196 0.776 3.020 1.00 0.00 C ATOM 652 O GLN A 45 6.698 -0.250 3.484 1.00 0.00 O ATOM 653 CB GLN A 45 6.979 2.319 4.977 1.00 0.00 C ATOM 654 CG GLN A 45 6.447 3.626 5.543 1.00 0.00 C ATOM 655 CD GLN A 45 7.051 3.967 6.891 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.339 4.109 7.885 1.00 0.00 O ATOM 657 NE2 GLN A 45 8.372 4.101 6.931 1.00 0.00 N ATOM 0 H GLN A 45 4.755 1.486 3.205 1.00 0.00 H new ATOM 0 HA GLN A 45 7.289 2.909 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.518 1.488 5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.051 2.262 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.656 4.433 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.363 3.561 5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.923 3.974 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.835 4.330 7.810 1.00 0.00 H new ATOM 666 N THR A 46 8.161 0.761 2.105 1.00 0.00 N ATOM 667 CA THR A 46 8.699 -0.488 1.583 1.00 0.00 C ATOM 668 C THR A 46 9.795 -1.036 2.490 1.00 0.00 C ATOM 669 O THR A 46 10.772 -0.347 2.786 1.00 0.00 O ATOM 670 CB THR A 46 9.268 -0.305 0.163 1.00 0.00 C ATOM 671 OG1 THR A 46 8.413 0.554 -0.600 1.00 0.00 O ATOM 672 CG2 THR A 46 9.407 -1.646 -0.541 1.00 0.00 C ATOM 0 H THR A 46 8.585 1.600 1.711 1.00 0.00 H new ATOM 0 HA THR A 46 7.872 -1.197 1.547 1.00 0.00 H new ATOM 0 HB THR A 46 10.256 0.148 0.247 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.213 0.134 -1.462 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.811 -1.491 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.081 -2.287 0.027 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.429 -2.122 -0.614 1.00 0.00 H new ATOM 680 N SER A 47 9.628 -2.280 2.928 1.00 0.00 N ATOM 681 CA SER A 47 10.602 -2.919 3.805 1.00 0.00 C ATOM 682 C SER A 47 10.785 -4.388 3.434 1.00 0.00 C ATOM 683 O SER A 47 9.826 -5.075 3.080 1.00 0.00 O ATOM 684 CB SER A 47 10.160 -2.802 5.265 1.00 0.00 C ATOM 685 OG SER A 47 8.783 -3.104 5.407 1.00 0.00 O ATOM 0 H SER A 47 8.827 -2.865 2.690 1.00 0.00 H new ATOM 0 HA SER A 47 11.557 -2.408 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.750 -3.480 5.882 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.353 -1.792 5.627 1.00 0.00 H new ATOM 0 HG SER A 47 8.526 -3.023 6.349 1.00 0.00 H new ATOM 691 N LEU A 48 12.023 -4.862 3.516 1.00 0.00 N ATOM 692 CA LEU A 48 12.334 -6.250 3.190 1.00 0.00 C ATOM 693 C LEU A 48 11.688 -7.203 4.190 1.00 0.00 C ATOM 694 O LEU A 48 11.555 -6.882 5.370 1.00 0.00 O ATOM 695 CB LEU A 48 13.849 -6.463 3.171 1.00 0.00 C ATOM 696 CG LEU A 48 14.541 -6.237 1.826 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.274 -7.402 0.886 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.080 -4.928 1.202 1.00 0.00 C ATOM 0 H LEU A 48 12.828 -4.306 3.805 1.00 0.00 H new ATOM 0 HA LEU A 48 11.930 -6.464 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.299 -5.795 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.057 -7.482 3.497 1.00 0.00 H new ATOM 0 HG LEU A 48 15.616 -6.175 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.774 -7.224 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.655 -8.322 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.201 -7.497 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.583 -4.784 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.002 -4.960 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.325 -4.101 1.869 1.00 0.00 H new ATOM 710 N GLU A 49 11.289 -8.376 3.709 1.00 0.00 N ATOM 711 CA GLU A 49 10.658 -9.376 4.562 1.00 0.00 C ATOM 712 C GLU A 49 11.443 -9.560 5.857 1.00 0.00 C ATOM 713 O GLU A 49 10.905 -10.023 6.862 1.00 0.00 O ATOM 714 CB GLU A 49 10.549 -10.713 3.825 1.00 0.00 C ATOM 715 CG GLU A 49 9.787 -11.775 4.599 1.00 0.00 C ATOM 716 CD GLU A 49 9.800 -13.124 3.906 1.00 0.00 C ATOM 717 OE1 GLU A 49 9.127 -13.260 2.863 1.00 0.00 O ATOM 718 OE2 GLU A 49 10.481 -14.042 4.407 1.00 0.00 O ATOM 0 H GLU A 49 11.391 -8.657 2.734 1.00 0.00 H new ATOM 0 HA GLU A 49 9.657 -9.024 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.056 -10.551 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.552 -11.082 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.222 -11.877 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.755 -11.450 4.735 1.00 0.00 H new ATOM 725 N ASN A 50 12.721 -9.195 5.825 1.00 0.00 N ATOM 726 CA ASN A 50 13.582 -9.321 6.995 1.00 0.00 C ATOM 727 C ASN A 50 13.406 -8.128 7.930 1.00 0.00 C ATOM 728 O ASN A 50 13.287 -8.290 9.144 1.00 0.00 O ATOM 729 CB ASN A 50 15.046 -9.436 6.567 1.00 0.00 C ATOM 730 CG ASN A 50 15.222 -10.304 5.336 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.407 -9.667 4.185 1.00 0.00 O flip ATOM 732 ND2 ASN A 50 15.193 -11.532 5.419 1.00 0.00 N flip ATOM 0 H ASN A 50 13.183 -8.810 5.001 1.00 0.00 H new ATOM 0 HA ASN A 50 13.295 -10.226 7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.442 -8.441 6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.630 -9.852 7.388 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.048 -11.979 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.314 -12.103 4.582 1.00 0.00 H new ATOM 739 N GLY A 51 13.391 -6.929 7.355 1.00 0.00 N ATOM 740 CA GLY A 51 13.228 -5.727 8.151 1.00 0.00 C ATOM 741 C GLY A 51 14.196 -4.631 7.750 1.00 0.00 C ATOM 742 O GLY A 51 14.821 -4.001 8.604 1.00 0.00 O ATOM 0 H GLY A 51 13.489 -6.769 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.206 -5.361 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.374 -5.969 9.204 1.00 0.00 H new ATOM 746 N THR A 52 14.322 -4.403 6.447 1.00 0.00 N ATOM 747 CA THR A 52 15.223 -3.378 5.934 1.00 0.00 C ATOM 748 C THR A 52 14.467 -2.350 5.099 1.00 0.00 C ATOM 749 O THR A 52 14.280 -2.530 3.896 1.00 0.00 O ATOM 750 CB THR A 52 16.344 -3.994 5.076 1.00 0.00 C ATOM 751 OG1 THR A 52 17.099 -4.929 5.855 1.00 0.00 O ATOM 752 CG2 THR A 52 17.269 -2.913 4.537 1.00 0.00 C ATOM 0 H THR A 52 13.811 -4.914 5.727 1.00 0.00 H new ATOM 0 HA THR A 52 15.667 -2.885 6.799 1.00 0.00 H new ATOM 0 HB THR A 52 15.884 -4.510 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.809 -5.318 5.302 1.00 0.00 H new ATOM 0 HG21 THR A 52 18.053 -3.372 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.697 -2.219 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.721 -2.373 5.369 1.00 0.00 H new ATOM 760 N ARG A 53 14.036 -1.272 5.746 1.00 0.00 N ATOM 761 CA ARG A 53 13.300 -0.215 5.063 1.00 0.00 C ATOM 762 C ARG A 53 14.057 0.264 3.828 1.00 0.00 C ATOM 763 O ARG A 53 15.160 0.800 3.932 1.00 0.00 O ATOM 764 CB ARG A 53 13.055 0.960 6.011 1.00 0.00 C ATOM 765 CG ARG A 53 11.766 0.840 6.809 1.00 0.00 C ATOM 766 CD ARG A 53 11.193 2.207 7.150 1.00 0.00 C ATOM 767 NE ARG A 53 11.712 2.718 8.415 1.00 0.00 N ATOM 768 CZ ARG A 53 11.306 2.286 9.604 1.00 0.00 C ATOM 769 NH1 ARG A 53 10.381 1.340 9.689 1.00 0.00 N ATOM 770 NH2 ARG A 53 11.826 2.801 10.711 1.00 0.00 N ATOM 0 H ARG A 53 14.184 -1.108 6.742 1.00 0.00 H new ATOM 0 HA ARG A 53 12.340 -0.623 4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.894 1.040 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.030 1.884 5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.034 0.270 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.956 0.284 7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.430 2.909 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.106 2.141 7.204 1.00 0.00 H new ATOM 0 HE ARG A 53 12.425 3.446 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.979 0.942 8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.071 1.010 10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.538 3.529 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.514 2.469 11.624 1.00 0.00 H new ATOM 784 N VAL A 54 13.457 0.066 2.658 1.00 0.00 N ATOM 785 CA VAL A 54 14.074 0.478 1.403 1.00 0.00 C ATOM 786 C VAL A 54 13.772 1.940 1.096 1.00 0.00 C ATOM 787 O VAL A 54 14.680 2.729 0.837 1.00 0.00 O ATOM 788 CB VAL A 54 13.589 -0.392 0.228 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.273 0.028 -1.065 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.837 -1.865 0.518 1.00 0.00 C ATOM 0 H VAL A 54 12.544 -0.377 2.554 1.00 0.00 H new ATOM 0 HA VAL A 54 15.150 0.349 1.522 1.00 0.00 H new ATOM 0 HB VAL A 54 12.516 -0.245 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.918 -0.597 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.040 1.071 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.352 -0.089 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.488 -2.465 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.904 -2.032 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.297 -2.154 1.419 1.00 0.00 H new ATOM 800 N GLN A 55 12.492 2.294 1.129 1.00 0.00 N ATOM 801 CA GLN A 55 12.071 3.663 0.854 1.00 0.00 C ATOM 802 C GLN A 55 11.055 4.138 1.888 1.00 0.00 C ATOM 803 O GLN A 55 10.218 3.364 2.350 1.00 0.00 O ATOM 804 CB GLN A 55 11.472 3.763 -0.550 1.00 0.00 C ATOM 805 CG GLN A 55 10.013 3.341 -0.621 1.00 0.00 C ATOM 806 CD GLN A 55 9.361 3.715 -1.937 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.833 2.859 -2.647 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.393 5.000 -2.269 1.00 0.00 N ATOM 0 H GLN A 55 11.728 1.653 1.343 1.00 0.00 H new ATOM 0 HA GLN A 55 12.950 4.305 0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.562 4.791 -0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.055 3.141 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.943 2.263 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.464 3.806 0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.841 5.676 -1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.969 5.312 -3.143 1.00 0.00 H new ATOM 817 N GLU A 56 11.136 5.416 2.246 1.00 0.00 N ATOM 818 CA GLU A 56 10.223 5.993 3.226 1.00 0.00 C ATOM 819 C GLU A 56 9.477 7.187 2.638 1.00 0.00 C ATOM 820 O GLU A 56 10.045 8.265 2.469 1.00 0.00 O ATOM 821 CB GLU A 56 10.991 6.424 4.478 1.00 0.00 C ATOM 822 CG GLU A 56 10.109 7.042 5.550 1.00 0.00 C ATOM 823 CD GLU A 56 10.893 7.889 6.533 1.00 0.00 C ATOM 824 OE1 GLU A 56 11.370 7.333 7.545 1.00 0.00 O ATOM 825 OE2 GLU A 56 11.028 9.107 6.292 1.00 0.00 O ATOM 0 H GLU A 56 11.823 6.070 1.873 1.00 0.00 H new ATOM 0 HA GLU A 56 9.494 5.230 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.503 5.558 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.760 7.142 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.344 7.657 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.591 6.250 6.091 1.00 0.00 H new ATOM 832 N GLU A 57 8.200 6.984 2.328 1.00 0.00 N ATOM 833 CA GLU A 57 7.376 8.043 1.757 1.00 0.00 C ATOM 834 C GLU A 57 6.178 8.343 2.654 1.00 0.00 C ATOM 835 O GLU A 57 5.189 7.610 2.677 1.00 0.00 O ATOM 836 CB GLU A 57 6.895 7.649 0.359 1.00 0.00 C ATOM 837 CG GLU A 57 6.687 8.833 -0.570 1.00 0.00 C ATOM 838 CD GLU A 57 6.409 8.411 -1.999 1.00 0.00 C ATOM 839 OE1 GLU A 57 6.894 7.334 -2.406 1.00 0.00 O ATOM 840 OE2 GLU A 57 5.707 9.158 -2.712 1.00 0.00 O ATOM 0 H GLU A 57 7.714 6.097 2.463 1.00 0.00 H new ATOM 0 HA GLU A 57 7.987 8.943 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.622 6.971 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.958 7.099 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.855 9.435 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.573 9.467 -0.548 1.00 0.00 H new ATOM 847 N PRO A 58 6.267 9.447 3.410 1.00 0.00 N ATOM 848 CA PRO A 58 5.200 9.870 4.322 1.00 0.00 C ATOM 849 C PRO A 58 3.963 10.361 3.579 1.00 0.00 C ATOM 850 O PRO A 58 2.836 10.036 3.950 1.00 0.00 O ATOM 851 CB PRO A 58 5.841 11.016 5.110 1.00 0.00 C ATOM 852 CG PRO A 58 6.901 11.548 4.210 1.00 0.00 C ATOM 853 CD PRO A 58 7.416 10.368 3.433 1.00 0.00 C ATOM 0 HA PRO A 58 4.848 9.049 4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.109 11.785 5.357 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.262 10.662 6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.499 12.310 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.701 12.017 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.723 10.653 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.283 9.917 3.915 1.00 0.00 H new ATOM 861 N GLU A 59 4.182 11.146 2.528 1.00 0.00 N ATOM 862 CA GLU A 59 3.082 11.681 1.734 1.00 0.00 C ATOM 863 C GLU A 59 3.147 11.166 0.299 1.00 0.00 C ATOM 864 O GLU A 59 3.756 11.792 -0.571 1.00 0.00 O ATOM 865 CB GLU A 59 3.117 13.211 1.741 1.00 0.00 C ATOM 866 CG GLU A 59 1.948 13.849 1.010 1.00 0.00 C ATOM 867 CD GLU A 59 2.213 15.295 0.636 1.00 0.00 C ATOM 868 OE1 GLU A 59 3.153 15.541 -0.149 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.481 16.179 1.127 1.00 0.00 O ATOM 0 H GLU A 59 5.109 11.425 2.207 1.00 0.00 H new ATOM 0 HA GLU A 59 2.147 11.344 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.124 13.561 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.048 13.547 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.733 13.277 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.059 13.797 1.639 1.00 0.00 H new ATOM 876 N LEU A 60 2.516 10.022 0.058 1.00 0.00 N ATOM 877 CA LEU A 60 2.502 9.422 -1.271 1.00 0.00 C ATOM 878 C LEU A 60 1.196 9.733 -1.995 1.00 0.00 C ATOM 879 O LEU A 60 0.115 9.375 -1.529 1.00 0.00 O ATOM 880 CB LEU A 60 2.694 7.907 -1.170 1.00 0.00 C ATOM 881 CG LEU A 60 2.294 7.097 -2.404 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.781 7.048 -2.543 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.928 7.684 -3.656 1.00 0.00 C ATOM 0 H LEU A 60 2.008 9.492 0.766 1.00 0.00 H new ATOM 0 HA LEU A 60 3.325 9.849 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.743 7.707 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.118 7.544 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 60 2.660 6.078 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.515 6.468 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.349 6.580 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.392 8.061 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.632 7.095 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.593 8.713 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.013 7.665 -3.557 1.00 0.00 H new ATOM 895 N VAL A 61 1.304 10.401 -3.139 1.00 0.00 N ATOM 896 CA VAL A 61 0.133 10.758 -3.930 1.00 0.00 C ATOM 897 C VAL A 61 0.206 10.150 -5.326 1.00 0.00 C ATOM 898 O VAL A 61 1.290 9.969 -5.880 1.00 0.00 O ATOM 899 CB VAL A 61 -0.016 12.286 -4.055 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.135 12.871 -4.860 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.353 12.641 -4.687 1.00 0.00 C ATOM 0 H VAL A 61 2.191 10.706 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.735 10.357 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 61 0.014 12.719 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.013 13.951 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.078 12.648 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.140 12.434 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.441 13.724 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.415 12.197 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.162 12.256 -4.066 1.00 0.00 H new ATOM 911 N PHE A 62 -0.956 9.836 -5.890 1.00 0.00 N ATOM 912 CA PHE A 62 -1.024 9.247 -7.223 1.00 0.00 C ATOM 913 C PHE A 62 -2.456 9.260 -7.750 1.00 0.00 C ATOM 914 O PHE A 62 -3.399 9.554 -7.014 1.00 0.00 O ATOM 915 CB PHE A 62 -0.491 7.813 -7.197 1.00 0.00 C ATOM 916 CG PHE A 62 -1.398 6.849 -6.489 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.592 6.447 -7.066 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.057 6.342 -5.245 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.429 5.561 -6.416 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.889 5.455 -4.589 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.077 5.063 -5.176 1.00 0.00 C ATOM 0 H PHE A 62 -1.863 9.979 -5.445 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.404 9.846 -7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.340 7.472 -8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.485 7.805 -6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.872 6.831 -8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.129 6.644 -4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.358 5.258 -6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.611 5.069 -3.619 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.729 4.369 -4.667 1.00 0.00 H new ATOM 931 N THR A 63 -2.611 8.939 -9.031 1.00 0.00 N ATOM 932 CA THR A 63 -3.927 8.915 -9.659 1.00 0.00 C ATOM 933 C THR A 63 -4.431 7.486 -9.823 1.00 0.00 C ATOM 934 O THR A 63 -3.945 6.740 -10.674 1.00 0.00 O ATOM 935 CB THR A 63 -3.903 9.602 -11.037 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.482 10.964 -10.900 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.277 9.554 -11.689 1.00 0.00 C ATOM 0 H THR A 63 -1.842 8.692 -9.654 1.00 0.00 H new ATOM 0 HA THR A 63 -4.603 9.462 -9.001 1.00 0.00 H new ATOM 0 HB THR A 63 -3.197 9.067 -11.672 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.468 11.392 -11.781 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.236 10.045 -12.661 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.582 8.516 -11.820 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.999 10.067 -11.054 1.00 0.00 H new ATOM 945 N LEU A 64 -5.409 7.112 -9.006 1.00 0.00 N ATOM 946 CA LEU A 64 -5.981 5.771 -9.061 1.00 0.00 C ATOM 947 C LEU A 64 -6.470 5.445 -10.469 1.00 0.00 C ATOM 948 O LEU A 64 -7.125 6.263 -11.114 1.00 0.00 O ATOM 949 CB LEU A 64 -7.135 5.645 -8.066 1.00 0.00 C ATOM 950 CG LEU A 64 -7.789 4.267 -7.966 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.802 3.245 -7.424 1.00 0.00 C ATOM 952 CD2 LEU A 64 -9.031 4.328 -7.090 1.00 0.00 C ATOM 0 H LEU A 64 -5.823 7.718 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.200 5.059 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.768 5.923 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.902 6.370 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.090 3.956 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.286 2.270 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.942 3.180 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.469 3.551 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.483 3.338 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.755 4.662 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.746 5.028 -7.521 1.00 0.00 H new ATOM 964 N GLY A 65 -6.149 4.244 -10.939 1.00 0.00 N ATOM 965 CA GLY A 65 -6.566 3.831 -12.266 1.00 0.00 C ATOM 966 C GLY A 65 -5.420 3.824 -13.258 1.00 0.00 C ATOM 967 O GLY A 65 -5.500 3.181 -14.305 1.00 0.00 O ATOM 0 H GLY A 65 -5.607 3.549 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.002 2.833 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.347 4.502 -12.623 1.00 0.00 H new ATOM 971 N ASP A 66 -4.352 4.541 -12.930 1.00 0.00 N ATOM 972 CA ASP A 66 -3.184 4.616 -13.801 1.00 0.00 C ATOM 973 C ASP A 66 -2.056 3.735 -13.273 1.00 0.00 C ATOM 974 O ASP A 66 -0.955 3.722 -13.825 1.00 0.00 O ATOM 975 CB ASP A 66 -2.703 6.063 -13.922 1.00 0.00 C ATOM 976 CG ASP A 66 -2.031 6.340 -15.252 1.00 0.00 C ATOM 977 OD1 ASP A 66 -0.876 5.901 -15.435 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.659 6.995 -16.110 1.00 0.00 O ATOM 0 H ASP A 66 -4.270 5.079 -12.067 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.473 4.254 -14.788 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.551 6.736 -13.800 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.005 6.280 -13.113 1.00 0.00 H new ATOM 983 N CYS A 67 -2.337 3.002 -12.202 1.00 0.00 N ATOM 984 CA CYS A 67 -1.345 2.119 -11.598 1.00 0.00 C ATOM 985 C CYS A 67 0.024 2.790 -11.552 1.00 0.00 C ATOM 986 O CYS A 67 1.048 2.152 -11.800 1.00 0.00 O ATOM 987 CB CYS A 67 -1.257 0.807 -12.378 1.00 0.00 C ATOM 988 SG CYS A 67 -0.411 0.949 -13.970 1.00 0.00 S ATOM 0 H CYS A 67 -3.243 3.001 -11.734 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.659 1.905 -10.576 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.738 0.068 -11.768 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.265 0.429 -12.547 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.412 2.191 -14.353 1.00 0.00 H new ATOM 994 N ASP A 68 0.035 4.080 -11.236 1.00 0.00 N ATOM 995 CA ASP A 68 1.278 4.838 -11.159 1.00 0.00 C ATOM 996 C ASP A 68 2.107 4.401 -9.955 1.00 0.00 C ATOM 997 O ASP A 68 3.291 4.723 -9.854 1.00 0.00 O ATOM 998 CB ASP A 68 0.982 6.336 -11.073 1.00 0.00 C ATOM 999 CG ASP A 68 0.899 6.990 -12.439 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.652 6.571 -13.343 1.00 0.00 O ATOM 1001 OD2 ASP A 68 0.082 7.919 -12.603 1.00 0.00 O ATOM 0 H ASP A 68 -0.803 4.623 -11.029 1.00 0.00 H new ATOM 0 HA ASP A 68 1.852 4.640 -12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.042 6.488 -10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.760 6.824 -10.487 1.00 0.00 H new ATOM 1006 N VAL A 69 1.476 3.667 -9.044 1.00 0.00 N ATOM 1007 CA VAL A 69 2.156 3.186 -7.847 1.00 0.00 C ATOM 1008 C VAL A 69 2.258 1.665 -7.847 1.00 0.00 C ATOM 1009 O VAL A 69 1.816 1.003 -8.786 1.00 0.00 O ATOM 1010 CB VAL A 69 1.428 3.640 -6.567 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.573 5.142 -6.375 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.039 3.241 -6.619 1.00 0.00 C ATOM 0 H VAL A 69 0.496 3.393 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 69 3.158 3.615 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 69 1.887 3.142 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.053 5.445 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.629 5.398 -6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.141 5.662 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.538 3.569 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.513 3.710 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.118 2.157 -6.706 1.00 0.00 H new ATOM 1022 N ILE A 70 2.843 1.117 -6.787 1.00 0.00 N ATOM 1023 CA ILE A 70 3.002 -0.327 -6.665 1.00 0.00 C ATOM 1024 C ILE A 70 1.693 -1.051 -6.963 1.00 0.00 C ATOM 1025 O ILE A 70 0.611 -0.543 -6.671 1.00 0.00 O ATOM 1026 CB ILE A 70 3.485 -0.723 -5.257 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.590 0.226 -4.788 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.977 -2.162 -5.251 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.662 0.466 -5.829 1.00 0.00 C ATOM 0 H ILE A 70 3.214 1.651 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 70 3.754 -0.625 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 70 2.646 -0.644 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.144 1.181 -4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.052 -0.183 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.315 -2.427 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.165 -2.826 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.805 -2.266 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.412 1.148 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.135 -0.481 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.212 0.904 -6.720 1.00 0.00 H new ATOM 1041 N GLN A 71 1.801 -2.242 -7.544 1.00 0.00 N ATOM 1042 CA GLN A 71 0.626 -3.036 -7.881 1.00 0.00 C ATOM 1043 C GLN A 71 -0.059 -3.556 -6.621 1.00 0.00 C ATOM 1044 O GLN A 71 -1.197 -4.021 -6.668 1.00 0.00 O ATOM 1045 CB GLN A 71 1.018 -4.208 -8.782 1.00 0.00 C ATOM 1046 CG GLN A 71 0.957 -3.881 -10.266 1.00 0.00 C ATOM 1047 CD GLN A 71 1.115 -5.109 -11.141 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.182 -5.352 -11.703 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.048 -5.892 -11.260 1.00 0.00 N ATOM 0 H GLN A 71 2.690 -2.678 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.074 -2.394 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.029 -4.527 -8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.358 -5.050 -8.576 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.005 -3.400 -10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.741 -3.163 -10.509 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.817 -5.652 -10.776 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.094 -6.733 -11.835 1.00 0.00 H new ATOM 1058 N ALA A 72 0.643 -3.473 -5.495 1.00 0.00 N ATOM 1059 CA ALA A 72 0.101 -3.933 -4.222 1.00 0.00 C ATOM 1060 C ALA A 72 -0.545 -2.785 -3.454 1.00 0.00 C ATOM 1061 O ALA A 72 -1.226 -3.002 -2.450 1.00 0.00 O ATOM 1062 CB ALA A 72 1.196 -4.580 -3.386 1.00 0.00 C ATOM 0 H ALA A 72 1.587 -3.092 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.669 -4.676 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.778 -4.919 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.610 -5.432 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.985 -3.853 -3.195 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.328 -1.564 -3.930 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.889 -0.381 -3.287 1.00 0.00 C ATOM 1070 C LEU A 73 -2.122 0.113 -4.037 1.00 0.00 C ATOM 1071 O LEU A 73 -3.126 0.480 -3.427 1.00 0.00 O ATOM 1072 CB LEU A 73 0.159 0.731 -3.216 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.381 2.155 -3.085 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.236 2.289 -1.834 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.762 3.159 -3.063 1.00 0.00 C ATOM 0 H LEU A 73 0.233 -1.367 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.188 -0.655 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.813 0.532 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.776 0.679 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.007 2.367 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.612 3.309 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.076 1.597 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.634 2.057 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.359 4.167 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.415 2.949 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.333 3.081 -3.988 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.039 0.118 -5.362 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.149 0.564 -6.197 1.00 0.00 C ATOM 1089 C ASP A 74 -4.261 -0.480 -6.225 1.00 0.00 C ATOM 1090 O ASP A 74 -5.437 -0.146 -6.374 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.663 0.849 -7.619 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.482 1.925 -8.305 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.538 1.589 -8.880 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -3.066 3.102 -8.268 1.00 0.00 O ATOM 0 H ASP A 74 -1.214 -0.182 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.549 1.483 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.618 1.156 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.708 -0.068 -8.206 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.881 -1.745 -6.082 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.846 -2.839 -6.092 1.00 0.00 C ATOM 1101 C LEU A 75 -5.475 -3.023 -4.714 1.00 0.00 C ATOM 1102 O LEU A 75 -6.374 -3.845 -4.536 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.170 -4.138 -6.535 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.782 -4.223 -8.011 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.211 -2.897 -8.490 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.782 -5.348 -8.236 1.00 0.00 C ATOM 0 H LEU A 75 -2.912 -2.038 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.635 -2.588 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.271 -4.279 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.839 -4.968 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.679 -4.440 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.940 -2.976 -9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.958 -2.113 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.325 -2.650 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.517 -5.394 -9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.885 -5.161 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.226 -6.296 -7.932 1.00 0.00 H new ATOM 1118 N SER A 76 -4.996 -2.253 -3.743 1.00 0.00 N ATOM 1119 CA SER A 76 -5.509 -2.332 -2.381 1.00 0.00 C ATOM 1120 C SER A 76 -6.240 -1.048 -2.000 1.00 0.00 C ATOM 1121 O SER A 76 -7.110 -1.050 -1.129 1.00 0.00 O ATOM 1122 CB SER A 76 -4.367 -2.593 -1.397 1.00 0.00 C ATOM 1123 OG SER A 76 -3.563 -1.438 -1.230 1.00 0.00 O ATOM 0 H SER A 76 -4.253 -1.567 -3.874 1.00 0.00 H new ATOM 0 HA SER A 76 -6.216 -3.160 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.776 -2.898 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.753 -3.418 -1.758 1.00 0.00 H new ATOM 0 HG SER A 76 -3.527 -0.940 -2.073 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.879 0.048 -2.659 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.500 1.340 -2.392 1.00 0.00 C ATOM 1131 C VAL A 77 -8.012 1.272 -2.576 1.00 0.00 C ATOM 1132 O VAL A 77 -8.788 1.592 -1.675 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.931 2.437 -3.310 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.982 3.501 -3.586 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.685 3.055 -2.693 1.00 0.00 C ATOM 0 H VAL A 77 -5.160 0.067 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.274 1.591 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.651 1.982 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.561 4.268 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.843 3.044 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.296 3.955 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.296 3.828 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.937 3.496 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.928 2.284 -2.552 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.443 0.843 -3.772 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.866 0.722 -4.103 1.00 0.00 C ATOM 1147 C PRO A 78 -10.543 -0.413 -3.343 1.00 0.00 C ATOM 1148 O PRO A 78 -11.725 -0.693 -3.547 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.857 0.428 -5.605 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.530 -0.198 -5.861 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.575 0.444 -4.892 1.00 0.00 C ATOM 0 HA PRO A 78 -10.425 1.618 -3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.671 -0.242 -5.882 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.983 1.341 -6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.572 -1.277 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.212 -0.032 -6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.800 -0.252 -4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.070 1.303 -5.335 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.788 -1.064 -2.465 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.316 -2.170 -1.672 1.00 0.00 C ATOM 1161 C LEU A 79 -10.480 -1.763 -0.211 1.00 0.00 C ATOM 1162 O LEU A 79 -11.125 -2.462 0.569 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.391 -3.384 -1.775 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.967 -3.787 -3.188 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.391 -5.194 -3.191 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.143 -3.687 -4.147 1.00 0.00 C ATOM 0 H LEU A 79 -8.808 -0.846 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.297 -2.434 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.493 -3.182 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.888 -4.235 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.192 -3.099 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.095 -5.464 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.520 -5.232 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.144 -5.896 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.822 -3.978 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.941 -4.351 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.510 -2.661 -4.167 1.00 0.00 H new ATOM 1178 N MET A 80 -9.893 -0.627 0.150 1.00 0.00 N ATOM 1179 CA MET A 80 -9.977 -0.125 1.517 1.00 0.00 C ATOM 1180 C MET A 80 -10.760 1.183 1.569 1.00 0.00 C ATOM 1181 O MET A 80 -10.820 1.921 0.586 1.00 0.00 O ATOM 1182 CB MET A 80 -8.576 0.083 2.094 1.00 0.00 C ATOM 1183 CG MET A 80 -7.745 1.096 1.323 1.00 0.00 C ATOM 1184 SD MET A 80 -5.974 0.892 1.594 1.00 0.00 S ATOM 1185 CE MET A 80 -5.834 1.395 3.307 1.00 0.00 C ATOM 0 H MET A 80 -9.354 -0.037 -0.484 1.00 0.00 H new ATOM 0 HA MET A 80 -10.503 -0.867 2.118 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.664 0.410 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.051 -0.872 2.105 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.959 1.001 0.258 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.040 2.103 1.619 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.781 1.495 3.572 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.336 2.352 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.300 0.644 3.946 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.359 1.463 2.721 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.138 2.683 2.901 1.00 0.00 C ATOM 1197 C ASP A 81 -11.262 3.814 3.431 1.00 0.00 C ATOM 1198 O ASP A 81 -10.225 3.573 4.049 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.303 2.433 3.859 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.291 1.419 3.317 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -14.972 1.729 2.316 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.384 0.314 3.892 1.00 0.00 O ATOM 0 H ASP A 81 -11.320 0.862 3.544 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.534 2.978 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.914 2.082 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.820 3.373 4.051 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.685 5.050 3.183 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.940 6.218 3.634 1.00 0.00 C ATOM 1209 C VAL A 82 -10.925 6.306 5.156 1.00 0.00 C ATOM 1210 O VAL A 82 -11.974 6.300 5.799 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.534 7.519 3.062 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.044 7.541 3.241 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.893 8.732 3.719 1.00 0.00 C ATOM 0 H VAL A 82 -12.540 5.267 2.672 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.920 6.102 3.269 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.318 7.557 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.446 8.468 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.485 6.692 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.286 7.479 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.325 9.642 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.075 8.703 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.819 8.722 3.533 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.727 6.389 5.727 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.597 6.478 7.170 1.00 0.00 C ATOM 1225 C GLY A 83 -9.315 5.133 7.811 1.00 0.00 C ATOM 1226 O GLY A 83 -9.344 5.004 9.034 1.00 0.00 O ATOM 0 H GLY A 83 -8.844 6.396 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.792 7.171 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.514 6.892 7.589 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.042 4.130 6.982 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.755 2.789 7.476 1.00 0.00 C ATOM 1232 C GLU A 84 -7.338 2.362 7.103 1.00 0.00 C ATOM 1233 O GLU A 84 -6.972 2.343 5.927 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.766 1.787 6.912 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.246 0.360 6.863 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.230 -0.597 6.218 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.354 -0.736 6.742 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.873 -1.206 5.187 1.00 0.00 O ATOM 0 H GLU A 84 -9.014 4.221 5.966 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.836 2.805 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.670 1.815 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.049 2.096 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.307 0.338 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.027 0.022 7.876 1.00 0.00 H new ATOM 1245 N THR A 85 -6.544 2.022 8.113 1.00 0.00 N ATOM 1246 CA THR A 85 -5.167 1.597 7.893 1.00 0.00 C ATOM 1247 C THR A 85 -5.090 0.100 7.618 1.00 0.00 C ATOM 1248 O THR A 85 -5.398 -0.716 8.486 1.00 0.00 O ATOM 1249 CB THR A 85 -4.276 1.932 9.103 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.358 3.331 9.400 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.829 1.550 8.832 1.00 0.00 C ATOM 0 H THR A 85 -6.831 2.033 9.092 1.00 0.00 H new ATOM 0 HA THR A 85 -4.804 2.142 7.022 1.00 0.00 H new ATOM 0 HB THR A 85 -4.632 1.358 9.958 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.790 3.535 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.219 1.796 9.701 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.766 0.480 8.636 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.464 2.100 7.965 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.677 -0.254 6.406 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.557 -1.654 6.018 1.00 0.00 C ATOM 1261 C ALA A 86 -3.182 -1.944 5.426 1.00 0.00 C ATOM 1262 O ALA A 86 -2.601 -1.103 4.740 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.650 -2.023 5.025 1.00 0.00 C ATOM 0 H ALA A 86 -4.420 0.410 5.675 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.674 -2.264 6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.548 -3.071 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.626 -1.863 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.560 -1.399 4.136 1.00 0.00 H new ATOM 1269 N MET A 87 -2.667 -3.139 5.696 1.00 0.00 N ATOM 1270 CA MET A 87 -1.359 -3.540 5.189 1.00 0.00 C ATOM 1271 C MET A 87 -1.503 -4.476 3.993 1.00 0.00 C ATOM 1272 O MET A 87 -2.556 -5.082 3.790 1.00 0.00 O ATOM 1273 CB MET A 87 -0.548 -4.223 6.291 1.00 0.00 C ATOM 1274 CG MET A 87 0.770 -4.803 5.805 1.00 0.00 C ATOM 1275 SD MET A 87 1.867 -5.264 7.160 1.00 0.00 S ATOM 1276 CE MET A 87 2.742 -3.724 7.426 1.00 0.00 C ATOM 0 H MET A 87 -3.135 -3.846 6.263 1.00 0.00 H new ATOM 0 HA MET A 87 -0.833 -2.642 4.864 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.348 -3.502 7.083 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.147 -5.021 6.730 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.571 -5.680 5.189 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.271 -4.073 5.169 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.496 -3.863 8.200 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.226 -3.416 6.499 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.037 -2.955 7.741 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.439 -4.589 3.204 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.447 -5.452 2.029 1.00 0.00 C ATOM 1288 C VAL A 88 0.886 -6.174 1.869 1.00 0.00 C ATOM 1289 O VAL A 88 1.946 -5.548 1.850 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.743 -4.652 0.747 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.035 -3.863 0.896 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.420 -3.729 0.415 1.00 0.00 C ATOM 0 H VAL A 88 0.439 -4.094 3.357 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.238 -6.186 2.180 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.867 -5.354 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.228 -3.304 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.861 -4.549 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.943 -3.169 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.194 -3.171 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.578 -3.032 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.322 -4.321 0.262 1.00 0.00 H new ATOM 1302 N THR A 89 0.826 -7.497 1.753 1.00 0.00 N ATOM 1303 CA THR A 89 2.028 -8.306 1.594 1.00 0.00 C ATOM 1304 C THR A 89 1.947 -9.172 0.342 1.00 0.00 C ATOM 1305 O THR A 89 1.295 -10.215 0.339 1.00 0.00 O ATOM 1306 CB THR A 89 2.261 -9.213 2.818 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.039 -9.864 3.184 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.785 -8.407 3.997 1.00 0.00 C ATOM 0 H THR A 89 -0.043 -8.031 1.766 1.00 0.00 H new ATOM 0 HA THR A 89 2.864 -7.613 1.500 1.00 0.00 H new ATOM 0 HB THR A 89 3.006 -9.962 2.551 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.703 -10.381 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.942 -9.069 4.849 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.729 -7.936 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.060 -7.638 4.263 1.00 0.00 H new ATOM 1316 N ALA A 90 2.615 -8.732 -0.719 1.00 0.00 N ATOM 1317 CA ALA A 90 2.620 -9.469 -1.977 1.00 0.00 C ATOM 1318 C ALA A 90 4.045 -9.748 -2.444 1.00 0.00 C ATOM 1319 O ALA A 90 5.000 -9.158 -1.939 1.00 0.00 O ATOM 1320 CB ALA A 90 1.855 -8.700 -3.043 1.00 0.00 C ATOM 0 H ALA A 90 3.159 -7.870 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 90 2.126 -10.426 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.867 -9.262 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.824 -8.557 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.325 -7.729 -3.198 1.00 0.00 H new ATOM 1326 N ASP A 91 4.180 -10.651 -3.409 1.00 0.00 N ATOM 1327 CA ASP A 91 5.489 -11.008 -3.944 1.00 0.00 C ATOM 1328 C ASP A 91 6.097 -9.842 -4.717 1.00 0.00 C ATOM 1329 O ASP A 91 5.378 -9.007 -5.266 1.00 0.00 O ATOM 1330 CB ASP A 91 5.376 -12.234 -4.851 1.00 0.00 C ATOM 1331 CG ASP A 91 6.647 -12.493 -5.636 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.608 -13.031 -5.048 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.681 -12.156 -6.839 1.00 0.00 O ATOM 0 H ASP A 91 3.399 -11.149 -3.837 1.00 0.00 H new ATOM 0 HA ASP A 91 6.144 -11.245 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.142 -13.110 -4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.546 -12.094 -5.544 1.00 0.00 H new ATOM 1338 N SER A 92 7.425 -9.791 -4.754 1.00 0.00 N ATOM 1339 CA SER A 92 8.129 -8.724 -5.456 1.00 0.00 C ATOM 1340 C SER A 92 7.470 -8.430 -6.800 1.00 0.00 C ATOM 1341 O SER A 92 7.386 -7.278 -7.225 1.00 0.00 O ATOM 1342 CB SER A 92 9.596 -9.105 -5.666 1.00 0.00 C ATOM 1343 OG SER A 92 10.390 -7.958 -5.912 1.00 0.00 O ATOM 0 H SER A 92 8.035 -10.476 -4.306 1.00 0.00 H new ATOM 0 HA SER A 92 8.079 -7.824 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.969 -9.627 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.679 -9.796 -6.505 1.00 0.00 H new ATOM 0 HG SER A 92 11.323 -8.228 -6.041 1.00 0.00 H new ATOM 1349 N LYS A 93 7.003 -9.482 -7.465 1.00 0.00 N ATOM 1350 CA LYS A 93 6.350 -9.340 -8.761 1.00 0.00 C ATOM 1351 C LYS A 93 5.334 -8.202 -8.736 1.00 0.00 C ATOM 1352 O LYS A 93 5.239 -7.421 -9.683 1.00 0.00 O ATOM 1353 CB LYS A 93 5.659 -10.647 -9.153 1.00 0.00 C ATOM 1354 CG LYS A 93 4.342 -10.878 -8.433 1.00 0.00 C ATOM 1355 CD LYS A 93 3.634 -12.120 -8.949 1.00 0.00 C ATOM 1356 CE LYS A 93 4.243 -13.389 -8.371 1.00 0.00 C ATOM 1357 NZ LYS A 93 3.340 -14.562 -8.536 1.00 0.00 N ATOM 0 H LYS A 93 7.065 -10.442 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 93 7.114 -9.105 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.480 -10.645 -10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.330 -11.480 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.524 -10.980 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.697 -10.009 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.576 -12.072 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.694 -12.149 -10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.195 -13.591 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.456 -13.240 -7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.790 -15.407 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.441 -14.380 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.157 -14.720 -9.548 1.00 0.00 H new ATOM 1371 N TYR A 94 4.578 -8.115 -7.648 1.00 0.00 N ATOM 1372 CA TYR A 94 3.568 -7.073 -7.500 1.00 0.00 C ATOM 1373 C TYR A 94 4.174 -5.807 -6.903 1.00 0.00 C ATOM 1374 O TYR A 94 3.615 -4.717 -7.032 1.00 0.00 O ATOM 1375 CB TYR A 94 2.420 -7.568 -6.618 1.00 0.00 C ATOM 1376 CG TYR A 94 1.696 -8.768 -7.183 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.909 -8.657 -8.323 1.00 0.00 C ATOM 1378 CD2 TYR A 94 1.797 -10.015 -6.577 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.245 -9.751 -8.843 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.138 -11.114 -7.091 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.363 -10.977 -8.223 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.297 -12.070 -8.737 1.00 0.00 O ATOM 0 H TYR A 94 4.645 -8.753 -6.855 1.00 0.00 H new ATOM 0 HA TYR A 94 3.180 -6.835 -8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.813 -7.822 -5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.706 -6.757 -6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.815 -7.698 -8.811 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.401 -10.126 -5.689 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.363 -9.647 -9.730 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.229 -12.076 -6.609 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.108 -12.856 -8.183 1.00 0.00 H new ATOM 1392 N CYS A 95 5.322 -5.959 -6.251 1.00 0.00 N ATOM 1393 CA CYS A 95 6.006 -4.829 -5.634 1.00 0.00 C ATOM 1394 C CYS A 95 6.765 -4.016 -6.678 1.00 0.00 C ATOM 1395 O CYS A 95 6.421 -2.866 -6.954 1.00 0.00 O ATOM 1396 CB CYS A 95 6.969 -5.318 -4.552 1.00 0.00 C ATOM 1397 SG CYS A 95 6.210 -6.410 -3.326 1.00 0.00 S ATOM 0 H CYS A 95 5.798 -6.854 -6.136 1.00 0.00 H new ATOM 0 HA CYS A 95 5.253 -4.187 -5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.797 -5.844 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.393 -4.454 -4.040 1.00 0.00 H new ATOM 0 HG CYS A 95 5.642 -7.412 -3.930 1.00 0.00 H new ATOM 1403 N TYR A 96 7.798 -4.620 -7.253 1.00 0.00 N ATOM 1404 CA TYR A 96 8.609 -3.951 -8.264 1.00 0.00 C ATOM 1405 C TYR A 96 8.778 -4.833 -9.497 1.00 0.00 C ATOM 1406 O TYR A 96 8.897 -4.337 -10.617 1.00 0.00 O ATOM 1407 CB TYR A 96 9.980 -3.589 -7.690 1.00 0.00 C ATOM 1408 CG TYR A 96 9.926 -2.518 -6.624 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.890 -1.172 -6.965 1.00 0.00 C ATOM 1410 CD2 TYR A 96 9.912 -2.853 -5.275 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.842 -0.190 -5.994 1.00 0.00 C ATOM 1412 CE2 TYR A 96 9.862 -1.878 -4.298 1.00 0.00 C ATOM 1413 CZ TYR A 96 9.828 -0.548 -4.662 1.00 0.00 C ATOM 1414 OH TYR A 96 9.779 0.426 -3.691 1.00 0.00 O ATOM 0 H TYR A 96 8.094 -5.572 -7.037 1.00 0.00 H new ATOM 0 HA TYR A 96 8.094 -3.037 -8.561 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.437 -4.485 -7.270 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.626 -3.251 -8.500 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.900 -0.888 -8.007 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.941 -3.893 -4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.816 0.852 -6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.850 -2.156 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 96 9.148 1.125 -3.961 1.00 0.00 H new ATOM 1424 N GLY A 97 8.787 -6.145 -9.282 1.00 0.00 N ATOM 1425 CA GLY A 97 8.942 -7.076 -10.385 1.00 0.00 C ATOM 1426 C GLY A 97 10.085 -8.047 -10.167 1.00 0.00 C ATOM 1427 O GLY A 97 10.992 -7.803 -9.371 1.00 0.00 O ATOM 0 H GLY A 97 8.690 -6.580 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.015 -7.634 -10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.113 -6.518 -11.306 1.00 0.00 H new ATOM 1431 N PRO A 98 10.051 -9.179 -10.886 1.00 0.00 N ATOM 1432 CA PRO A 98 11.084 -10.213 -10.785 1.00 0.00 C ATOM 1433 C PRO A 98 12.415 -9.763 -11.376 1.00 0.00 C ATOM 1434 O PRO A 98 13.401 -10.500 -11.341 1.00 0.00 O ATOM 1435 CB PRO A 98 10.504 -11.375 -11.596 1.00 0.00 C ATOM 1436 CG PRO A 98 9.571 -10.733 -12.563 1.00 0.00 C ATOM 1437 CD PRO A 98 9.000 -9.535 -11.855 1.00 0.00 C ATOM 0 HA PRO A 98 11.305 -10.467 -9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.289 -11.929 -12.111 1.00 0.00 H new ATOM 0 HB3 PRO A 98 9.982 -12.084 -10.954 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.094 -10.436 -13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.782 -11.423 -12.861 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.798 -8.718 -12.547 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.059 -9.772 -11.358 1.00 0.00 H new ATOM 1445 N GLN A 99 12.437 -8.549 -11.917 1.00 0.00 N ATOM 1446 CA GLN A 99 13.648 -8.002 -12.516 1.00 0.00 C ATOM 1447 C GLN A 99 14.383 -7.099 -11.531 1.00 0.00 C ATOM 1448 O GLN A 99 15.612 -7.082 -11.486 1.00 0.00 O ATOM 1449 CB GLN A 99 13.306 -7.220 -13.786 1.00 0.00 C ATOM 1450 CG GLN A 99 12.739 -5.836 -13.513 1.00 0.00 C ATOM 1451 CD GLN A 99 12.451 -5.063 -14.785 1.00 0.00 C ATOM 1452 OE1 GLN A 99 12.971 -5.386 -15.853 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.619 -4.033 -14.677 1.00 0.00 N ATOM 0 H GLN A 99 11.630 -7.926 -11.953 1.00 0.00 H new ATOM 0 HA GLN A 99 14.302 -8.834 -12.775 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.204 -7.122 -14.396 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.585 -7.790 -14.371 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.820 -5.931 -12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.444 -5.273 -12.902 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.210 -3.800 -13.772 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.389 -3.475 -15.499 1.00 0.00 H new ATOM 1462 N GLY A 100 13.620 -6.348 -10.742 1.00 0.00 N ATOM 1463 CA GLY A 100 14.216 -5.453 -9.768 1.00 0.00 C ATOM 1464 C GLY A 100 13.719 -4.028 -9.910 1.00 0.00 C ATOM 1465 O GLY A 100 12.981 -3.711 -10.843 1.00 0.00 O ATOM 0 H GLY A 100 12.600 -6.344 -10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.994 -5.814 -8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.300 -5.469 -9.880 1.00 0.00 H new ATOM 1529 N TYR A 105 17.242 0.732 -5.054 1.00 0.00 N ATOM 1530 CA TYR A 105 17.289 -0.562 -5.726 1.00 0.00 C ATOM 1531 C TYR A 105 16.751 -1.666 -4.821 1.00 0.00 C ATOM 1532 O TYR A 105 16.900 -1.610 -3.600 1.00 0.00 O ATOM 1533 CB TYR A 105 18.721 -0.888 -6.151 1.00 0.00 C ATOM 1534 CG TYR A 105 18.884 -2.283 -6.710 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.842 -3.395 -5.878 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.082 -2.490 -8.069 1.00 0.00 C ATOM 1537 CE1 TYR A 105 18.991 -4.672 -6.384 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.231 -3.763 -8.584 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.185 -4.851 -7.738 1.00 0.00 C ATOM 1540 OH TYR A 105 19.334 -6.120 -8.247 1.00 0.00 O ATOM 0 HA TYR A 105 16.658 -0.505 -6.613 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.042 -0.165 -6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.382 -0.770 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.690 -3.259 -4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.120 -1.641 -8.735 1.00 0.00 H new ATOM 0 HE1 TYR A 105 18.956 -5.525 -5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.383 -3.905 -9.644 1.00 0.00 H new ATOM 0 HH TYR A 105 19.461 -6.070 -9.218 1.00 0.00 H new ATOM 1550 N ILE A 106 16.126 -2.668 -5.429 1.00 0.00 N ATOM 1551 CA ILE A 106 15.568 -3.787 -4.679 1.00 0.00 C ATOM 1552 C ILE A 106 15.761 -5.101 -5.427 1.00 0.00 C ATOM 1553 O ILE A 106 15.634 -5.173 -6.650 1.00 0.00 O ATOM 1554 CB ILE A 106 14.067 -3.584 -4.400 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.237 -4.022 -5.608 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.784 -2.129 -4.055 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.957 -5.508 -5.642 1.00 0.00 C ATOM 0 H ILE A 106 15.993 -2.728 -6.438 1.00 0.00 H new ATOM 0 HA ILE A 106 16.104 -3.830 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 106 13.785 -4.201 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.290 -3.482 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.761 -3.738 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.719 -2.002 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.351 -1.849 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.079 -1.493 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.364 -5.746 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.899 -6.055 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.405 -5.795 -4.747 1.00 0.00 H new ATOM 1569 N PRO A 107 16.074 -6.169 -4.677 1.00 0.00 N ATOM 1570 CA PRO A 107 16.289 -7.501 -5.248 1.00 0.00 C ATOM 1571 C PRO A 107 14.998 -8.124 -5.769 1.00 0.00 C ATOM 1572 O PRO A 107 13.912 -7.899 -5.235 1.00 0.00 O ATOM 1573 CB PRO A 107 16.833 -8.309 -4.067 1.00 0.00 C ATOM 1574 CG PRO A 107 16.306 -7.616 -2.859 1.00 0.00 C ATOM 1575 CD PRO A 107 16.241 -6.156 -3.214 1.00 0.00 C ATOM 0 HA PRO A 107 16.958 -7.473 -6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.496 -9.345 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.923 -8.328 -4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.321 -7.996 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.957 -7.780 -2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.407 -5.659 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.148 -5.629 -2.918 1.00 0.00 H new ATOM 1583 N PRO A 108 15.117 -8.926 -6.838 1.00 0.00 N ATOM 1584 CA PRO A 108 13.969 -9.599 -7.454 1.00 0.00 C ATOM 1585 C PRO A 108 13.398 -10.700 -6.567 1.00 0.00 C ATOM 1586 O PRO A 108 14.026 -11.116 -5.594 1.00 0.00 O ATOM 1587 CB PRO A 108 14.554 -10.194 -8.737 1.00 0.00 C ATOM 1588 CG PRO A 108 16.005 -10.367 -8.447 1.00 0.00 C ATOM 1589 CD PRO A 108 16.380 -9.240 -7.526 1.00 0.00 C ATOM 0 HA PRO A 108 13.139 -8.914 -7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.083 -11.146 -8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.397 -9.532 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.197 -11.333 -7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.593 -10.334 -9.364 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.157 -9.538 -6.822 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.761 -8.381 -8.077 1.00 0.00 H new ATOM 1597 N HIS A 109 12.203 -11.169 -6.911 1.00 0.00 N ATOM 1598 CA HIS A 109 11.547 -12.224 -6.146 1.00 0.00 C ATOM 1599 C HIS A 109 11.728 -12.002 -4.648 1.00 0.00 C ATOM 1600 O HIS A 109 11.761 -12.954 -3.869 1.00 0.00 O ATOM 1601 CB HIS A 109 12.104 -13.592 -6.542 1.00 0.00 C ATOM 1602 CG HIS A 109 11.915 -13.920 -7.991 1.00 0.00 C ATOM 1603 ND1 HIS A 109 12.782 -14.406 -8.909 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.714 -13.754 -8.649 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.097 -14.524 -10.093 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 10.851 -14.125 -9.909 1.00 0.00 N flip ATOM 0 H HIS A 109 11.669 -10.836 -7.714 1.00 0.00 H new ATOM 0 HA HIS A 109 10.481 -12.194 -6.373 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.168 -13.624 -6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.621 -14.360 -5.938 1.00 0.00 H new ATOM 0 HD1 HIS A 109 13.762 -14.641 -8.751 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.804 -13.379 -8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.510 -14.884 -11.024 1.00 0.00 H new ATOM 1615 N ALA A 110 11.846 -10.738 -4.252 1.00 0.00 N ATOM 1616 CA ALA A 110 12.023 -10.391 -2.848 1.00 0.00 C ATOM 1617 C ALA A 110 10.788 -9.687 -2.297 1.00 0.00 C ATOM 1618 O ALA A 110 10.560 -8.508 -2.569 1.00 0.00 O ATOM 1619 CB ALA A 110 13.255 -9.516 -2.671 1.00 0.00 C ATOM 0 H ALA A 110 11.822 -9.938 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 110 12.164 -11.314 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.374 -9.265 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.137 -10.055 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.138 -8.601 -3.251 1.00 0.00 H new ATOM 1625 N ALA A 111 9.992 -10.417 -1.521 1.00 0.00 N ATOM 1626 CA ALA A 111 8.781 -9.861 -0.931 1.00 0.00 C ATOM 1627 C ALA A 111 9.070 -8.539 -0.228 1.00 0.00 C ATOM 1628 O ALA A 111 10.218 -8.234 0.098 1.00 0.00 O ATOM 1629 CB ALA A 111 8.164 -10.854 0.042 1.00 0.00 C ATOM 0 H ALA A 111 10.165 -11.395 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 111 8.071 -9.668 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.260 -10.425 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.912 -11.773 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.877 -11.076 0.836 1.00 0.00 H new ATOM 1635 N LEU A 112 8.021 -7.756 0.002 1.00 0.00 N ATOM 1636 CA LEU A 112 8.162 -6.465 0.667 1.00 0.00 C ATOM 1637 C LEU A 112 6.889 -6.100 1.424 1.00 0.00 C ATOM 1638 O LEU A 112 5.787 -6.181 0.880 1.00 0.00 O ATOM 1639 CB LEU A 112 8.491 -5.376 -0.356 1.00 0.00 C ATOM 1640 CG LEU A 112 9.784 -5.568 -1.150 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.730 -4.788 -2.454 1.00 0.00 C ATOM 1642 CD2 LEU A 112 10.987 -5.143 -0.321 1.00 0.00 C ATOM 0 H LEU A 112 7.065 -7.992 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 112 8.979 -6.541 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.663 -5.306 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.547 -4.421 0.166 1.00 0.00 H new ATOM 0 HG LEU A 112 9.888 -6.627 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.658 -4.937 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.891 -5.140 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.602 -3.727 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.898 -5.287 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.890 -4.091 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.036 -5.746 0.585 1.00 0.00 H new ATOM 1654 N CYS A 113 7.049 -5.696 2.679 1.00 0.00 N ATOM 1655 CA CYS A 113 5.912 -5.316 3.510 1.00 0.00 C ATOM 1656 C CYS A 113 5.525 -3.861 3.271 1.00 0.00 C ATOM 1657 O CYS A 113 6.313 -2.948 3.521 1.00 0.00 O ATOM 1658 CB CYS A 113 6.240 -5.533 4.988 1.00 0.00 C ATOM 1659 SG CYS A 113 5.820 -7.180 5.604 1.00 0.00 S ATOM 0 H CYS A 113 7.954 -5.623 3.143 1.00 0.00 H new ATOM 0 HA CYS A 113 5.066 -5.947 3.236 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.305 -5.360 5.142 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.708 -4.789 5.580 1.00 0.00 H new ATOM 0 HG CYS A 113 6.137 -7.267 6.862 1.00 0.00 H new ATOM 1665 N LEU A 114 4.307 -3.651 2.784 1.00 0.00 N ATOM 1666 CA LEU A 114 3.815 -2.305 2.508 1.00 0.00 C ATOM 1667 C LEU A 114 2.556 -2.010 3.318 1.00 0.00 C ATOM 1668 O LEU A 114 1.590 -2.771 3.281 1.00 0.00 O ATOM 1669 CB LEU A 114 3.524 -2.143 1.015 1.00 0.00 C ATOM 1670 CG LEU A 114 4.558 -2.742 0.061 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.094 -2.608 -1.381 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.911 -2.073 0.252 1.00 0.00 C ATOM 0 H LEU A 114 3.642 -4.395 2.572 1.00 0.00 H new ATOM 0 HA LEU A 114 4.588 -1.595 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.557 -2.598 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.431 -1.079 0.797 1.00 0.00 H new ATOM 0 HG LEU A 114 4.664 -3.802 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.842 -3.040 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.148 -3.134 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.959 -1.554 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.634 -2.512 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.821 -1.006 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.249 -2.221 1.278 1.00 0.00 H new ATOM 1684 N GLU A 115 2.576 -0.898 4.047 1.00 0.00 N ATOM 1685 CA GLU A 115 1.435 -0.502 4.864 1.00 0.00 C ATOM 1686 C GLU A 115 0.706 0.686 4.242 1.00 0.00 C ATOM 1687 O GLU A 115 1.192 1.816 4.279 1.00 0.00 O ATOM 1688 CB GLU A 115 1.893 -0.148 6.281 1.00 0.00 C ATOM 1689 CG GLU A 115 0.747 0.085 7.251 1.00 0.00 C ATOM 1690 CD GLU A 115 1.160 0.908 8.455 1.00 0.00 C ATOM 1691 OE1 GLU A 115 1.890 1.904 8.272 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.752 0.556 9.582 1.00 0.00 O ATOM 0 H GLU A 115 3.368 -0.257 4.088 1.00 0.00 H new ATOM 0 HA GLU A 115 0.745 -1.345 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.522 -0.952 6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.511 0.749 6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.067 0.591 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.360 -0.877 7.588 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.464 0.420 3.669 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.261 1.465 3.039 1.00 0.00 C ATOM 1701 C VAL A 116 -2.201 2.122 4.044 1.00 0.00 C ATOM 1702 O VAL A 116 -2.870 1.441 4.822 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.090 0.909 1.866 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.766 2.040 1.105 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.212 0.082 0.939 1.00 0.00 C ATOM 0 H VAL A 116 -0.880 -0.510 3.628 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.561 2.210 2.659 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.867 0.260 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.347 1.627 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.428 2.586 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.008 2.718 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.814 -0.303 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.412 0.707 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.780 -0.751 1.494 1.00 0.00 H new ATOM 1715 N THR A 117 -2.247 3.450 4.023 1.00 0.00 N ATOM 1716 CA THR A 117 -3.104 4.200 4.933 1.00 0.00 C ATOM 1717 C THR A 117 -3.855 5.303 4.197 1.00 0.00 C ATOM 1718 O THR A 117 -3.308 6.377 3.942 1.00 0.00 O ATOM 1719 CB THR A 117 -2.292 4.825 6.082 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.698 3.795 6.880 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.177 5.703 6.955 1.00 0.00 C ATOM 0 H THR A 117 -1.700 4.029 3.385 1.00 0.00 H new ATOM 0 HA THR A 117 -3.821 3.492 5.348 1.00 0.00 H new ATOM 0 HB THR A 117 -1.508 5.445 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.182 4.201 7.607 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.581 6.134 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.604 6.504 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.980 5.101 7.380 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.111 5.033 3.858 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.938 6.005 3.151 1.00 0.00 C ATOM 1731 C LEU A 118 -6.256 7.201 4.043 1.00 0.00 C ATOM 1732 O LEU A 118 -7.000 7.083 5.017 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.236 5.350 2.676 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.848 5.922 1.397 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.457 7.289 1.662 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.800 6.007 0.296 1.00 0.00 C ATOM 0 H LEU A 118 -5.579 4.150 4.061 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.379 6.359 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.048 4.288 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.973 5.430 3.475 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.641 5.252 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.888 7.680 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.237 7.199 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.683 7.969 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.253 6.416 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.985 6.655 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.410 5.011 0.087 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.689 8.353 3.703 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.913 9.573 4.470 1.00 0.00 C ATOM 1750 C LYS A 119 -7.104 10.351 3.919 1.00 0.00 C ATOM 1751 O LYS A 119 -8.164 10.408 4.542 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.661 10.452 4.447 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.416 9.752 4.964 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.256 9.934 6.464 1.00 0.00 C ATOM 1755 CE LYS A 119 -4.413 9.311 7.228 1.00 0.00 C ATOM 1756 NZ LYS A 119 -4.034 8.970 8.627 1.00 0.00 N ATOM 0 H LYS A 119 -5.070 8.468 2.900 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.131 9.290 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.481 10.787 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.842 11.343 5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.471 8.689 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.537 10.146 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.319 9.481 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.195 10.997 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.256 10.002 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.746 8.410 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.850 8.548 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.247 8.291 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.741 9.833 9.127 1.00 0.00 H new ATOM 1770 N THR A 120 -6.923 10.948 2.745 1.00 0.00 N ATOM 1771 CA THR A 120 -7.982 11.722 2.109 1.00 0.00 C ATOM 1772 C THR A 120 -7.935 11.575 0.592 1.00 0.00 C ATOM 1773 O THR A 120 -6.860 11.562 -0.007 1.00 0.00 O ATOM 1774 CB THR A 120 -7.882 13.215 2.473 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.529 13.663 2.335 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.359 13.458 3.896 1.00 0.00 C ATOM 0 H THR A 120 -6.052 10.910 2.215 1.00 0.00 H new ATOM 0 HA THR A 120 -8.928 11.328 2.480 1.00 0.00 H new ATOM 0 HB THR A 120 -8.522 13.776 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.474 14.614 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.279 14.520 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.398 13.143 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.742 12.886 4.589 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.108 11.467 -0.023 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.200 11.324 -1.471 1.00 0.00 C ATOM 1786 C ALA A 121 -9.880 12.536 -2.099 1.00 0.00 C ATOM 1787 O ALA A 121 -11.054 12.804 -1.845 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.952 10.051 -1.829 1.00 0.00 C ATOM 0 H ALA A 121 -10.007 11.476 0.458 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.188 11.259 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.013 9.957 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.425 9.189 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.958 10.093 -1.411 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.133 13.267 -2.921 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.663 14.451 -3.587 1.00 0.00 C ATOM 1796 C VAL A 122 -9.163 14.545 -5.024 1.00 0.00 C ATOM 1797 O VAL A 122 -8.304 13.769 -5.444 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.276 15.739 -2.835 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.713 15.659 -1.380 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.779 15.985 -2.938 1.00 0.00 C ATOM 0 H VAL A 122 -8.159 13.060 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.749 14.352 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.792 16.580 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.431 16.577 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.795 15.533 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.227 14.810 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.523 16.899 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.241 15.144 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.499 16.089 -3.986 1.00 0.00 H new ATOM 1810 N ASP A 123 -9.704 15.500 -5.772 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.311 15.697 -7.162 1.00 0.00 C ATOM 1812 C ASP A 123 -8.121 16.646 -7.262 1.00 0.00 C ATOM 1813 O ASP A 123 -7.122 16.338 -7.911 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.486 16.245 -7.974 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.252 16.150 -9.468 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -9.262 16.738 -9.953 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.057 15.487 -10.154 1.00 0.00 O ATOM 0 H ASP A 123 -10.416 16.150 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.016 14.730 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.391 15.695 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -10.658 17.286 -7.702 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.237 17.801 -6.614 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.171 18.796 -6.632 1.00 0.00 C ATOM 1824 C ARG A 124 -5.865 18.203 -6.112 1.00 0.00 C ATOM 1825 O ARG A 124 -5.851 17.350 -5.225 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.565 20.010 -5.788 1.00 0.00 C ATOM 1827 CG ARG A 124 -7.492 19.760 -4.290 1.00 0.00 C ATOM 1828 CD ARG A 124 -8.813 19.237 -3.748 1.00 0.00 C ATOM 1829 NE ARG A 124 -9.914 20.162 -4.003 1.00 0.00 N ATOM 1830 CZ ARG A 124 -10.101 21.287 -3.323 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -9.264 21.626 -2.352 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -11.126 22.078 -3.614 1.00 0.00 N ATOM 0 H ARG A 124 -9.057 18.070 -6.071 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.020 19.113 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -6.912 20.845 -6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.580 20.309 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.700 19.041 -4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.228 20.685 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.036 18.273 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.723 19.068 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.576 19.931 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.474 21.022 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.410 22.491 -1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.772 21.822 -4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.268 22.942 -3.091 1.00 0.00 H new