USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 564 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 11 SER OG : rot 180:sc= -0.938 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0305) USER MOD Set 2.2: A 33 GLN : amide:sc= -0.0122 K(o=-0.012,f=-1.3) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.07) USER MOD Single : A 15 THR OG1 : rot 120:sc= 1.07 USER MOD Single : A 21 GLN : amide:sc= -0.733 K(o=-0.73,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= -1.03 (180deg=-1.08) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 57 THR OG1 : rot 93:sc= 0.458 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00227 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= -0.006 (180deg=-0.11) USER MOD Single : A 65 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-0.0015) USER MOD Single : A 69 MET CE :methyl -140:sc= -0.123 (180deg=-2.28!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 123:sc= 0.0373 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.828 2.825 -0.942 1.00 0.00 N ATOM 98 CA LYS A 4 5.486 2.764 -0.378 1.00 0.00 C ATOM 99 C LYS A 4 4.688 1.618 -0.992 1.00 0.00 C ATOM 100 O LYS A 4 5.085 1.048 -2.009 1.00 0.00 O ATOM 101 CB LYS A 4 4.752 4.088 -0.607 1.00 0.00 C ATOM 102 CG LYS A 4 5.497 5.297 -0.065 1.00 0.00 C ATOM 103 CD LYS A 4 4.679 6.568 -0.216 1.00 0.00 C ATOM 104 CE LYS A 4 5.565 7.803 -0.222 1.00 0.00 C ATOM 105 NZ LYS A 4 6.344 7.934 1.041 1.00 0.00 N ATOM 0 HA LYS A 4 5.579 2.587 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.587 4.222 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.770 4.036 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.734 5.138 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.445 5.408 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.106 6.525 -1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.960 6.639 0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.251 7.754 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.949 8.691 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.719 8.901 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.725 7.736 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.133 7.257 1.034 1.00 0.00 H new ATOM 119 N LEU A 5 3.563 1.284 -0.369 1.00 0.00 N ATOM 120 CA LEU A 5 2.710 0.205 -0.855 1.00 0.00 C ATOM 121 C LEU A 5 1.406 0.757 -1.421 1.00 0.00 C ATOM 122 O LEU A 5 0.819 1.686 -0.864 1.00 0.00 O ATOM 123 CB LEU A 5 2.412 -0.783 0.274 1.00 0.00 C ATOM 124 CG LEU A 5 3.594 -1.157 1.169 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.111 -1.879 2.417 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.590 -2.019 0.405 1.00 0.00 C ATOM 0 H LEU A 5 3.220 1.745 0.474 1.00 0.00 H new ATOM 0 HA LEU A 5 3.240 -0.314 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.627 -0.361 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.012 -1.697 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 5 4.097 -0.240 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.966 -2.137 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.437 -1.229 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.583 -2.789 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.425 -2.276 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.098 -2.932 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.961 -1.467 -0.459 1.00 0.00 H new ATOM 138 N TYR A 6 0.956 0.178 -2.528 1.00 0.00 N ATOM 139 CA TYR A 6 -0.279 0.611 -3.170 1.00 0.00 C ATOM 140 C TYR A 6 -1.443 -0.296 -2.782 1.00 0.00 C ATOM 141 O TYR A 6 -1.354 -1.519 -2.896 1.00 0.00 O ATOM 142 CB TYR A 6 -0.111 0.621 -4.691 1.00 0.00 C ATOM 143 CG TYR A 6 -1.411 0.454 -5.444 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.509 1.260 -5.166 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.543 -0.511 -6.435 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.698 1.110 -5.852 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.729 -0.668 -7.127 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.803 0.144 -6.831 1.00 0.00 C ATOM 149 OH TYR A 6 -4.986 -0.008 -7.517 1.00 0.00 O ATOM 0 H TYR A 6 1.428 -0.593 -3.000 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.501 1.622 -2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.355 1.560 -4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.571 -0.179 -4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.431 2.017 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.704 -1.150 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.541 1.745 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.814 -1.422 -7.895 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.893 -0.730 -8.173 1.00 0.00 H new ATOM 159 N ILE A 7 -2.531 0.312 -2.324 1.00 0.00 N ATOM 160 CA ILE A 7 -3.713 -0.440 -1.920 1.00 0.00 C ATOM 161 C ILE A 7 -4.882 -0.174 -2.863 1.00 0.00 C ATOM 162 O ILE A 7 -5.320 0.964 -3.019 1.00 0.00 O ATOM 163 CB ILE A 7 -4.138 -0.090 -0.482 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.916 -0.041 0.437 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.153 -1.102 0.031 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.233 0.430 1.839 1.00 0.00 C ATOM 0 H ILE A 7 -2.619 1.323 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.446 -1.496 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.605 0.895 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.470 -1.034 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.169 0.622 -0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.444 -0.842 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.033 -1.092 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.709 -2.098 0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.320 0.440 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.651 1.436 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.957 -0.246 2.295 1.00 0.00 H new ATOM 178 N GLY A 8 -5.383 -1.235 -3.489 1.00 0.00 N ATOM 179 CA GLY A 8 -6.498 -1.096 -4.407 1.00 0.00 C ATOM 180 C GLY A 8 -7.743 -1.812 -3.921 1.00 0.00 C ATOM 181 O GLY A 8 -7.682 -2.611 -2.988 1.00 0.00 O ATOM 0 H GLY A 8 -5.036 -2.188 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.722 -0.038 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.213 -1.491 -5.382 1.00 0.00 H new ATOM 185 N ASN A 9 -8.875 -1.523 -4.553 1.00 0.00 N ATOM 186 CA ASN A 9 -10.140 -2.144 -4.178 1.00 0.00 C ATOM 187 C ASN A 9 -10.628 -1.614 -2.833 1.00 0.00 C ATOM 188 O ASN A 9 -11.127 -2.371 -1.999 1.00 0.00 O ATOM 189 CB ASN A 9 -9.987 -3.665 -4.114 1.00 0.00 C ATOM 190 CG ASN A 9 -11.283 -4.390 -4.420 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.519 -4.810 -5.554 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.130 -4.540 -3.409 1.00 0.00 N ATOM 0 H ASN A 9 -8.943 -0.863 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.879 -1.892 -4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.221 -3.980 -4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.640 -3.951 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.018 -5.020 -3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.892 -4.176 -2.486 1.00 0.00 H new ATOM 199 N LEU A 10 -10.482 -0.310 -2.628 1.00 0.00 N ATOM 200 CA LEU A 10 -10.908 0.322 -1.385 1.00 0.00 C ATOM 201 C LEU A 10 -12.265 0.998 -1.555 1.00 0.00 C ATOM 202 O LEU A 10 -12.396 1.974 -2.293 1.00 0.00 O ATOM 203 CB LEU A 10 -9.869 1.348 -0.929 1.00 0.00 C ATOM 204 CG LEU A 10 -8.593 0.780 -0.306 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.626 1.900 0.048 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.925 -0.047 0.927 1.00 0.00 C ATOM 0 H LEU A 10 -10.071 0.331 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.001 -0.454 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.590 1.959 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.338 2.013 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.113 0.131 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.724 1.476 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.363 2.452 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.097 2.575 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.005 -0.444 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.428 0.581 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.579 -0.872 0.646 1.00 0.00 H new ATOM 218 N SER A 11 -13.273 0.473 -0.864 1.00 0.00 N ATOM 219 CA SER A 11 -14.620 1.024 -0.940 1.00 0.00 C ATOM 220 C SER A 11 -14.593 2.545 -0.827 1.00 0.00 C ATOM 221 O SER A 11 -13.797 3.124 -0.088 1.00 0.00 O ATOM 222 CB SER A 11 -15.497 0.435 0.167 1.00 0.00 C ATOM 223 OG SER A 11 -16.861 0.416 -0.219 1.00 0.00 O ATOM 0 H SER A 11 -13.181 -0.333 -0.246 1.00 0.00 H new ATOM 0 HA SER A 11 -15.041 0.757 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.167 -0.578 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.382 1.022 1.078 1.00 0.00 H new ATOM 0 HG SER A 11 -17.400 0.034 0.504 1.00 0.00 H new ATOM 229 N PRO A 12 -15.482 3.209 -1.580 1.00 0.00 N ATOM 230 CA PRO A 12 -15.581 4.672 -1.583 1.00 0.00 C ATOM 231 C PRO A 12 -16.135 5.218 -0.271 1.00 0.00 C ATOM 232 O PRO A 12 -16.317 6.426 -0.118 1.00 0.00 O ATOM 233 CB PRO A 12 -16.549 4.960 -2.733 1.00 0.00 C ATOM 234 CG PRO A 12 -17.371 3.722 -2.855 1.00 0.00 C ATOM 235 CD PRO A 12 -16.461 2.584 -2.485 1.00 0.00 C ATOM 0 HA PRO A 12 -14.606 5.146 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.171 5.829 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.013 5.172 -3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.236 3.761 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.751 3.604 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.005 1.778 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.979 2.154 -3.363 1.00 0.00 H new ATOM 243 N ALA A 13 -16.400 4.321 0.673 1.00 0.00 N ATOM 244 CA ALA A 13 -16.931 4.714 1.973 1.00 0.00 C ATOM 245 C ALA A 13 -15.850 4.660 3.046 1.00 0.00 C ATOM 246 O ALA A 13 -15.968 5.296 4.094 1.00 0.00 O ATOM 247 CB ALA A 13 -18.103 3.823 2.356 1.00 0.00 C ATOM 0 H ALA A 13 -16.256 3.317 0.562 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.281 5.744 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.489 4.128 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.890 3.916 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.771 2.786 2.407 1.00 0.00 H new ATOM 253 N VAL A 14 -14.796 3.895 2.780 1.00 0.00 N ATOM 254 CA VAL A 14 -13.693 3.758 3.723 1.00 0.00 C ATOM 255 C VAL A 14 -13.001 5.096 3.959 1.00 0.00 C ATOM 256 O VAL A 14 -13.114 6.018 3.150 1.00 0.00 O ATOM 257 CB VAL A 14 -12.653 2.736 3.227 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.462 2.682 4.172 1.00 0.00 C ATOM 259 CG2 VAL A 14 -13.286 1.361 3.077 1.00 0.00 C ATOM 0 H VAL A 14 -14.683 3.361 1.919 1.00 0.00 H new ATOM 0 HA VAL A 14 -14.122 3.403 4.660 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.295 3.056 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.739 1.954 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.994 3.665 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.799 2.388 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.537 0.652 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.673 1.032 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.102 1.413 2.356 1.00 0.00 H new ATOM 269 N THR A 15 -12.284 5.197 5.074 1.00 0.00 N ATOM 270 CA THR A 15 -11.574 6.422 5.418 1.00 0.00 C ATOM 271 C THR A 15 -10.206 6.116 6.015 1.00 0.00 C ATOM 272 O THR A 15 -9.936 4.989 6.427 1.00 0.00 O ATOM 273 CB THR A 15 -12.377 7.276 6.417 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.799 6.469 7.523 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.593 7.897 5.743 1.00 0.00 C ATOM 0 H THR A 15 -12.180 4.444 5.754 1.00 0.00 H new ATOM 0 HA THR A 15 -11.446 6.983 4.492 1.00 0.00 H new ATOM 0 HB THR A 15 -11.732 8.077 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.425 6.831 8.353 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.145 8.496 6.468 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.268 8.533 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.238 7.107 5.358 1.00 0.00 H new ATOM 283 N ALA A 16 -9.344 7.127 6.057 1.00 0.00 N ATOM 284 CA ALA A 16 -8.003 6.967 6.606 1.00 0.00 C ATOM 285 C ALA A 16 -8.054 6.392 8.018 1.00 0.00 C ATOM 286 O ALA A 16 -7.196 5.601 8.408 1.00 0.00 O ATOM 287 CB ALA A 16 -7.267 8.298 6.601 1.00 0.00 C ATOM 0 H ALA A 16 -9.551 8.066 5.717 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.460 6.264 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.267 8.163 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.190 8.668 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.815 9.019 7.207 1.00 0.00 H new ATOM 293 N ASP A 17 -9.063 6.798 8.780 1.00 0.00 N ATOM 294 CA ASP A 17 -9.226 6.324 10.150 1.00 0.00 C ATOM 295 C ASP A 17 -9.360 4.805 10.187 1.00 0.00 C ATOM 296 O ASP A 17 -8.740 4.138 11.016 1.00 0.00 O ATOM 297 CB ASP A 17 -10.452 6.972 10.794 1.00 0.00 C ATOM 298 CG ASP A 17 -11.706 6.137 10.622 1.00 0.00 C ATOM 299 OD1 ASP A 17 -11.741 5.004 11.147 1.00 0.00 O ATOM 300 OD2 ASP A 17 -12.652 6.617 9.964 1.00 0.00 O ATOM 0 H ASP A 17 -9.781 7.454 8.473 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.337 6.606 10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.263 7.124 11.857 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.612 7.957 10.355 1.00 0.00 H new ATOM 305 N ASP A 18 -10.171 4.265 9.284 1.00 0.00 N ATOM 306 CA ASP A 18 -10.386 2.825 9.214 1.00 0.00 C ATOM 307 C ASP A 18 -9.112 2.105 8.782 1.00 0.00 C ATOM 308 O ASP A 18 -8.796 1.025 9.281 1.00 0.00 O ATOM 309 CB ASP A 18 -11.522 2.504 8.242 1.00 0.00 C ATOM 310 CG ASP A 18 -12.885 2.567 8.902 1.00 0.00 C ATOM 311 OD1 ASP A 18 -12.972 2.274 10.113 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.866 2.911 8.209 1.00 0.00 O ATOM 0 H ASP A 18 -10.690 4.803 8.590 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.660 2.475 10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.492 3.206 7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.369 1.508 7.825 1.00 0.00 H new ATOM 317 N LEU A 19 -8.385 2.711 7.849 1.00 0.00 N ATOM 318 CA LEU A 19 -7.145 2.128 7.349 1.00 0.00 C ATOM 319 C LEU A 19 -6.110 2.008 8.463 1.00 0.00 C ATOM 320 O LEU A 19 -5.485 0.962 8.633 1.00 0.00 O ATOM 321 CB LEU A 19 -6.585 2.978 6.206 1.00 0.00 C ATOM 322 CG LEU A 19 -7.009 2.569 4.795 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.293 3.416 3.755 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.735 1.090 4.563 1.00 0.00 C ATOM 0 H LEU A 19 -8.633 3.605 7.424 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.367 1.128 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.886 4.013 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.497 2.950 6.259 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.081 2.739 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.608 3.110 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.541 4.466 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.216 3.280 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.043 0.817 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.669 0.894 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.296 0.498 5.286 1.00 0.00 H new ATOM 336 N ARG A 20 -5.937 3.087 9.220 1.00 0.00 N ATOM 337 CA ARG A 20 -4.979 3.102 10.319 1.00 0.00 C ATOM 338 C ARG A 20 -5.413 2.151 11.432 1.00 0.00 C ATOM 339 O ARG A 20 -4.588 1.459 12.026 1.00 0.00 O ATOM 340 CB ARG A 20 -4.830 4.519 10.875 1.00 0.00 C ATOM 341 CG ARG A 20 -6.115 5.085 11.456 1.00 0.00 C ATOM 342 CD ARG A 20 -5.885 6.443 12.099 1.00 0.00 C ATOM 343 NE ARG A 20 -5.441 6.324 13.485 1.00 0.00 N ATOM 344 CZ ARG A 20 -4.831 7.300 14.148 1.00 0.00 C ATOM 345 NH1 ARG A 20 -4.596 8.463 13.555 1.00 0.00 N ATOM 346 NH2 ARG A 20 -4.455 7.116 15.407 1.00 0.00 N ATOM 0 H ARG A 20 -6.447 3.961 9.092 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.016 2.767 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.062 4.518 11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.480 5.177 10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.863 5.176 10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.516 4.394 12.197 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.140 6.994 11.526 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.808 7.022 12.062 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.609 5.443 13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.884 8.610 12.588 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.127 9.211 14.067 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.634 6.224 15.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.987 7.867 15.914 1.00 0.00 H new ATOM 360 N GLN A 21 -6.713 2.126 11.708 1.00 0.00 N ATOM 361 CA GLN A 21 -7.255 1.263 12.750 1.00 0.00 C ATOM 362 C GLN A 21 -7.179 -0.204 12.337 1.00 0.00 C ATOM 363 O GLN A 21 -7.005 -1.088 13.176 1.00 0.00 O ATOM 364 CB GLN A 21 -8.705 1.644 13.055 1.00 0.00 C ATOM 365 CG GLN A 21 -8.841 2.933 13.848 1.00 0.00 C ATOM 366 CD GLN A 21 -8.343 2.798 15.273 1.00 0.00 C ATOM 367 OE1 GLN A 21 -7.150 2.605 15.510 1.00 0.00 O ATOM 368 NE2 GLN A 21 -9.256 2.899 16.232 1.00 0.00 N ATOM 0 H GLN A 21 -7.410 2.693 11.225 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.654 1.400 13.649 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.250 1.745 12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.176 0.833 13.611 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.284 3.724 13.346 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.887 3.239 13.860 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.234 3.059 15.990 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.979 2.816 17.210 1.00 0.00 H new ATOM 377 N LEU A 22 -7.311 -0.455 11.038 1.00 0.00 N ATOM 378 CA LEU A 22 -7.256 -1.814 10.512 1.00 0.00 C ATOM 379 C LEU A 22 -5.864 -2.411 10.687 1.00 0.00 C ATOM 380 O LEU A 22 -5.713 -3.526 11.187 1.00 0.00 O ATOM 381 CB LEU A 22 -7.647 -1.825 9.033 1.00 0.00 C ATOM 382 CG LEU A 22 -7.600 -3.187 8.337 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.784 -4.043 8.759 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.578 -3.011 6.826 1.00 0.00 C ATOM 0 H LEU A 22 -7.457 0.265 10.331 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.964 -2.423 11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.658 -1.427 8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.987 -1.143 8.498 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.685 -3.697 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.734 -5.008 8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.756 -4.196 9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.712 -3.539 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.545 -3.989 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.476 -2.481 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.697 -2.436 6.539 1.00 0.00 H new ATOM 396 N PHE A 23 -4.848 -1.660 10.274 1.00 0.00 N ATOM 397 CA PHE A 23 -3.467 -2.114 10.385 1.00 0.00 C ATOM 398 C PHE A 23 -3.090 -2.355 11.844 1.00 0.00 C ATOM 399 O PHE A 23 -2.507 -3.384 12.184 1.00 0.00 O ATOM 400 CB PHE A 23 -2.518 -1.086 9.765 1.00 0.00 C ATOM 401 CG PHE A 23 -2.282 -1.298 8.297 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.286 -1.046 7.376 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.055 -1.751 7.838 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.071 -1.240 6.024 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.834 -1.947 6.488 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.843 -1.691 5.580 1.00 0.00 C ATOM 0 H PHE A 23 -4.955 -0.734 9.859 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.376 -3.055 9.843 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.926 -0.087 9.919 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.562 -1.124 10.288 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.248 -0.694 7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.263 -1.953 8.543 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.862 -1.039 5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.127 -2.300 6.143 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.672 -1.843 4.525 1.00 0.00 H new ATOM 416 N GLY A 24 -3.427 -1.398 12.703 1.00 0.00 N ATOM 417 CA GLY A 24 -3.117 -1.524 14.114 1.00 0.00 C ATOM 418 C GLY A 24 -3.830 -2.694 14.763 1.00 0.00 C ATOM 419 O GLY A 24 -3.269 -3.370 15.625 1.00 0.00 O ATOM 0 H GLY A 24 -3.910 -0.537 12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.041 -1.645 14.237 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.395 -0.603 14.627 1.00 0.00 H new ATOM 423 N ASP A 25 -5.069 -2.933 14.348 1.00 0.00 N ATOM 424 CA ASP A 25 -5.860 -4.029 14.896 1.00 0.00 C ATOM 425 C ASP A 25 -5.175 -5.368 14.651 1.00 0.00 C ATOM 426 O ASP A 25 -5.340 -6.313 15.423 1.00 0.00 O ATOM 427 CB ASP A 25 -7.258 -4.035 14.275 1.00 0.00 C ATOM 428 CG ASP A 25 -8.240 -3.179 15.050 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.399 -3.411 16.267 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.848 -2.276 14.440 1.00 0.00 O ATOM 0 H ASP A 25 -5.547 -2.383 13.634 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.949 -3.879 15.972 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.198 -3.674 13.248 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.629 -5.059 14.232 1.00 0.00 H new ATOM 435 N ARG A 26 -4.406 -5.445 13.569 1.00 0.00 N ATOM 436 CA ARG A 26 -3.697 -6.671 13.220 1.00 0.00 C ATOM 437 C ARG A 26 -2.292 -6.674 13.815 1.00 0.00 C ATOM 438 O ARG A 26 -1.415 -7.411 13.363 1.00 0.00 O ATOM 439 CB ARG A 26 -3.619 -6.825 11.700 1.00 0.00 C ATOM 440 CG ARG A 26 -4.801 -7.570 11.103 1.00 0.00 C ATOM 441 CD ARG A 26 -4.580 -9.075 11.122 1.00 0.00 C ATOM 442 NE ARG A 26 -5.836 -9.814 11.034 1.00 0.00 N ATOM 443 CZ ARG A 26 -6.652 -10.000 12.065 1.00 0.00 C ATOM 444 NH1 ARG A 26 -6.346 -9.504 13.255 1.00 0.00 N ATOM 445 NH2 ARG A 26 -7.778 -10.685 11.907 1.00 0.00 N ATOM 0 H ARG A 26 -4.258 -4.673 12.919 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.251 -7.513 13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.556 -5.836 11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.700 -7.353 11.443 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.705 -7.327 11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.961 -7.238 10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.935 -9.357 10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.059 -9.353 12.038 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.101 -10.209 10.132 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.482 -8.978 13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.975 -9.649 14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.017 -11.069 10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.404 -10.827 12.700 1.00 0.00 H new ATOM 459 N LYS A 27 -2.083 -5.845 14.832 1.00 0.00 N ATOM 460 CA LYS A 27 -0.786 -5.751 15.491 1.00 0.00 C ATOM 461 C LYS A 27 0.298 -5.342 14.500 1.00 0.00 C ATOM 462 O LYS A 27 1.438 -5.802 14.587 1.00 0.00 O ATOM 463 CB LYS A 27 -0.421 -7.089 16.138 1.00 0.00 C ATOM 464 CG LYS A 27 -0.911 -7.226 17.570 1.00 0.00 C ATOM 465 CD LYS A 27 -0.250 -6.211 18.485 1.00 0.00 C ATOM 466 CE LYS A 27 -0.259 -6.677 19.933 1.00 0.00 C ATOM 467 NZ LYS A 27 -1.624 -6.626 20.524 1.00 0.00 N ATOM 0 H LYS A 27 -2.797 -5.227 15.218 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.854 -4.987 16.265 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.840 -7.898 15.540 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.662 -7.208 16.121 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.993 -7.094 17.600 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.703 -8.233 17.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.777 -6.043 18.162 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.769 -5.256 18.406 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.123 -7.696 19.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.414 -6.052 20.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.587 -6.951 21.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.979 -5.649 20.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.261 -7.242 19.980 1.00 0.00 H new ATOM 481 N LEU A 28 -0.062 -4.475 13.561 1.00 0.00 N ATOM 482 CA LEU A 28 0.882 -4.001 12.554 1.00 0.00 C ATOM 483 C LEU A 28 0.818 -2.483 12.418 1.00 0.00 C ATOM 484 O LEU A 28 0.182 -1.943 11.514 1.00 0.00 O ATOM 485 CB LEU A 28 0.589 -4.658 11.204 1.00 0.00 C ATOM 486 CG LEU A 28 0.707 -6.182 11.159 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.249 -6.762 10.127 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.139 -6.597 10.854 1.00 0.00 C ATOM 0 H LEU A 28 -1.001 -4.085 13.475 1.00 0.00 H new ATOM 0 HA LEU A 28 1.887 -4.276 12.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.421 -4.383 10.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.270 -4.239 10.463 1.00 0.00 H new ATOM 0 HG LEU A 28 0.435 -6.577 12.138 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.151 -7.847 10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.273 -6.495 10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.009 -6.360 9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.204 -7.685 10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.438 -6.190 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.802 -6.214 11.630 1.00 0.00 H new ATOM 500 N PRO A 29 1.495 -1.778 13.337 1.00 0.00 N ATOM 501 CA PRO A 29 1.533 -0.313 13.339 1.00 0.00 C ATOM 502 C PRO A 29 2.338 0.248 12.172 1.00 0.00 C ATOM 503 O PRO A 29 3.333 -0.343 11.750 1.00 0.00 O ATOM 504 CB PRO A 29 2.214 0.022 14.668 1.00 0.00 C ATOM 505 CG PRO A 29 3.036 -1.179 14.986 1.00 0.00 C ATOM 506 CD PRO A 29 2.276 -2.357 14.443 1.00 0.00 C ATOM 0 HA PRO A 29 0.539 0.120 13.232 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.834 0.914 14.581 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.481 0.218 15.450 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.023 -1.108 14.530 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.188 -1.274 16.061 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.947 -3.142 14.094 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.631 -2.803 15.200 1.00 0.00 H new ATOM 514 N LEU A 30 1.903 1.392 11.654 1.00 0.00 N ATOM 515 CA LEU A 30 2.584 2.033 10.536 1.00 0.00 C ATOM 516 C LEU A 30 3.645 3.010 11.032 1.00 0.00 C ATOM 517 O LEU A 30 3.340 3.965 11.744 1.00 0.00 O ATOM 518 CB LEU A 30 1.573 2.767 9.651 1.00 0.00 C ATOM 519 CG LEU A 30 0.299 1.996 9.306 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.864 2.953 9.098 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.513 1.138 8.068 1.00 0.00 C ATOM 0 H LEU A 30 1.082 1.894 11.991 1.00 0.00 H new ATOM 0 HA LEU A 30 3.077 1.257 9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.289 3.694 10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.069 3.045 8.721 1.00 0.00 H new ATOM 0 HG LEU A 30 0.058 1.339 10.142 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.762 2.386 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.033 3.524 10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.632 3.636 8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.404 0.596 7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.779 1.776 7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.318 0.426 8.253 1.00 0.00 H new ATOM 533 N ALA A 31 4.894 2.763 10.648 1.00 0.00 N ATOM 534 CA ALA A 31 6.000 3.623 11.051 1.00 0.00 C ATOM 535 C ALA A 31 6.338 4.630 9.959 1.00 0.00 C ATOM 536 O ALA A 31 7.490 5.035 9.807 1.00 0.00 O ATOM 537 CB ALA A 31 7.223 2.783 11.394 1.00 0.00 C ATOM 0 H ALA A 31 5.164 1.975 10.059 1.00 0.00 H new ATOM 0 HA ALA A 31 5.693 4.178 11.938 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.042 3.437 11.693 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.981 2.106 12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.523 2.203 10.521 1.00 0.00 H new ATOM 543 N GLY A 32 5.325 5.033 9.197 1.00 0.00 N ATOM 544 CA GLY A 32 5.535 5.991 8.127 1.00 0.00 C ATOM 545 C GLY A 32 4.332 6.886 7.905 1.00 0.00 C ATOM 546 O GLY A 32 3.580 7.167 8.838 1.00 0.00 O ATOM 0 H GLY A 32 4.362 4.713 9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.404 6.607 8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.761 5.457 7.204 1.00 0.00 H new ATOM 550 N GLN A 33 4.152 7.336 6.668 1.00 0.00 N ATOM 551 CA GLN A 33 3.033 8.207 6.328 1.00 0.00 C ATOM 552 C GLN A 33 1.904 7.415 5.678 1.00 0.00 C ATOM 553 O GLN A 33 2.133 6.360 5.086 1.00 0.00 O ATOM 554 CB GLN A 33 3.495 9.323 5.389 1.00 0.00 C ATOM 555 CG GLN A 33 3.997 8.820 4.046 1.00 0.00 C ATOM 556 CD GLN A 33 4.856 9.839 3.325 1.00 0.00 C ATOM 557 OE1 GLN A 33 4.459 10.388 2.296 1.00 0.00 O ATOM 558 NE2 GLN A 33 6.043 10.099 3.861 1.00 0.00 N ATOM 0 H GLN A 33 4.766 7.112 5.885 1.00 0.00 H new ATOM 0 HA GLN A 33 2.657 8.650 7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.667 10.012 5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.289 9.890 5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.573 7.907 4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.145 8.560 3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.333 9.622 4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.665 10.776 3.419 1.00 0.00 H new ATOM 567 N VAL A 34 0.684 7.930 5.792 1.00 0.00 N ATOM 568 CA VAL A 34 -0.482 7.271 5.215 1.00 0.00 C ATOM 569 C VAL A 34 -1.202 8.188 4.233 1.00 0.00 C ATOM 570 O VAL A 34 -1.518 9.334 4.554 1.00 0.00 O ATOM 571 CB VAL A 34 -1.473 6.827 6.307 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.695 6.170 5.683 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.795 5.885 7.291 1.00 0.00 C ATOM 0 H VAL A 34 0.477 8.802 6.279 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.118 6.391 4.685 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.804 7.710 6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.384 5.863 6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.192 6.880 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.385 5.296 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.510 5.581 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.434 5.003 6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.046 6.394 7.762 1.00 0.00 H new ATOM 583 N LEU A 35 -1.457 7.677 3.034 1.00 0.00 N ATOM 584 CA LEU A 35 -2.140 8.450 2.003 1.00 0.00 C ATOM 585 C LEU A 35 -3.446 7.776 1.593 1.00 0.00 C ATOM 586 O LEU A 35 -3.481 6.574 1.328 1.00 0.00 O ATOM 587 CB LEU A 35 -1.236 8.619 0.781 1.00 0.00 C ATOM 588 CG LEU A 35 -0.195 9.737 0.866 1.00 0.00 C ATOM 589 CD1 LEU A 35 1.102 9.214 1.462 1.00 0.00 C ATOM 590 CD2 LEU A 35 0.052 10.340 -0.509 1.00 0.00 C ATOM 0 H LEU A 35 -1.201 6.731 2.752 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.372 9.432 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.715 7.677 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.866 8.802 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.581 10.519 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.831 10.023 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.913 8.830 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.494 8.413 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.795 11.134 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.417 9.567 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.879 10.752 -0.898 1.00 0.00 H new ATOM 602 N LEU A 36 -4.518 8.558 1.541 1.00 0.00 N ATOM 603 CA LEU A 36 -5.828 8.038 1.162 1.00 0.00 C ATOM 604 C LEU A 36 -6.345 8.731 -0.095 1.00 0.00 C ATOM 605 O LEU A 36 -6.615 9.933 -0.088 1.00 0.00 O ATOM 606 CB LEU A 36 -6.824 8.224 2.307 1.00 0.00 C ATOM 607 CG LEU A 36 -8.297 8.001 1.959 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.552 6.539 1.631 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.189 8.457 3.103 1.00 0.00 C ATOM 0 H LEU A 36 -4.507 9.555 1.756 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.722 6.974 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.554 7.540 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.713 9.235 2.698 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.537 8.596 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.605 6.399 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.939 6.245 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.295 5.923 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.233 8.291 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.948 7.889 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.026 9.518 3.290 1.00 0.00 H new ATOM 621 N LYS A 37 -6.483 7.966 -1.172 1.00 0.00 N ATOM 622 CA LYS A 37 -6.971 8.504 -2.436 1.00 0.00 C ATOM 623 C LYS A 37 -8.369 7.978 -2.748 1.00 0.00 C ATOM 624 O LYS A 37 -8.788 6.949 -2.218 1.00 0.00 O ATOM 625 CB LYS A 37 -6.014 8.141 -3.574 1.00 0.00 C ATOM 626 CG LYS A 37 -4.798 9.047 -3.657 1.00 0.00 C ATOM 627 CD LYS A 37 -3.817 8.770 -2.531 1.00 0.00 C ATOM 628 CE LYS A 37 -2.559 9.615 -2.666 1.00 0.00 C ATOM 629 NZ LYS A 37 -2.797 11.030 -2.268 1.00 0.00 N ATOM 0 H LYS A 37 -6.263 6.970 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.021 9.589 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.681 7.111 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.554 8.184 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.301 8.904 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.116 10.089 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.294 8.976 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.549 7.714 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.769 9.191 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.208 9.582 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.926 11.581 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.557 11.432 -2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.075 11.067 -1.266 1.00 0.00 H new ATOM 643 N SER A 38 -9.086 8.691 -3.611 1.00 0.00 N ATOM 644 CA SER A 38 -10.438 8.296 -3.990 1.00 0.00 C ATOM 645 C SER A 38 -10.417 7.023 -4.832 1.00 0.00 C ATOM 646 O SER A 38 -10.356 7.079 -6.059 1.00 0.00 O ATOM 647 CB SER A 38 -11.121 9.423 -4.768 1.00 0.00 C ATOM 648 OG SER A 38 -11.318 10.562 -3.948 1.00 0.00 O ATOM 0 H SER A 38 -8.754 9.544 -4.061 1.00 0.00 H new ATOM 0 HA SER A 38 -11.001 8.099 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.513 9.693 -5.631 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.081 9.076 -5.150 1.00 0.00 H new ATOM 0 HG SER A 38 -11.754 11.268 -4.469 1.00 0.00 H new ATOM 654 N GLY A 39 -10.466 5.877 -4.161 1.00 0.00 N ATOM 655 CA GLY A 39 -10.451 4.605 -4.860 1.00 0.00 C ATOM 656 C GLY A 39 -9.236 3.768 -4.515 1.00 0.00 C ATOM 657 O GLY A 39 -9.185 2.578 -4.826 1.00 0.00 O ATOM 0 H GLY A 39 -10.516 5.806 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.354 4.047 -4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.471 4.784 -5.935 1.00 0.00 H new ATOM 661 N TYR A 40 -8.254 4.390 -3.873 1.00 0.00 N ATOM 662 CA TYR A 40 -7.031 3.695 -3.488 1.00 0.00 C ATOM 663 C TYR A 40 -6.348 4.398 -2.320 1.00 0.00 C ATOM 664 O TYR A 40 -6.807 5.442 -1.856 1.00 0.00 O ATOM 665 CB TYR A 40 -6.073 3.610 -4.678 1.00 0.00 C ATOM 666 CG TYR A 40 -5.993 4.887 -5.484 1.00 0.00 C ATOM 667 CD1 TYR A 40 -7.025 5.261 -6.335 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.886 5.721 -5.392 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.957 6.426 -7.074 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.809 6.889 -6.125 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.846 7.237 -6.965 1.00 0.00 C ATOM 672 OH TYR A 40 -5.775 8.399 -7.698 1.00 0.00 O ATOM 0 H TYR A 40 -8.281 5.375 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.300 2.687 -3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.077 3.357 -4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.390 2.797 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.897 4.629 -6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.072 5.451 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.768 6.700 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.941 7.526 -6.041 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.929 8.856 -7.506 1.00 0.00 H new ATOM 682 N ALA A 41 -5.249 3.819 -1.850 1.00 0.00 N ATOM 683 CA ALA A 41 -4.499 4.391 -0.738 1.00 0.00 C ATOM 684 C ALA A 41 -3.074 3.851 -0.701 1.00 0.00 C ATOM 685 O ALA A 41 -2.811 2.733 -1.145 1.00 0.00 O ATOM 686 CB ALA A 41 -5.209 4.106 0.578 1.00 0.00 C ATOM 0 H ALA A 41 -4.857 2.954 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.446 5.470 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.639 4.538 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.206 4.547 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.292 3.029 0.721 1.00 0.00 H new ATOM 692 N PHE A 42 -2.157 4.652 -0.169 1.00 0.00 N ATOM 693 CA PHE A 42 -0.756 4.255 -0.075 1.00 0.00 C ATOM 694 C PHE A 42 -0.269 4.316 1.369 1.00 0.00 C ATOM 695 O PHE A 42 -0.696 5.171 2.145 1.00 0.00 O ATOM 696 CB PHE A 42 0.111 5.156 -0.957 1.00 0.00 C ATOM 697 CG PHE A 42 -0.455 5.378 -2.330 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.262 4.441 -3.332 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.183 6.521 -2.618 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.782 4.642 -4.597 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.705 6.728 -3.881 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.505 5.787 -4.872 1.00 0.00 C ATOM 0 H PHE A 42 -2.358 5.580 0.204 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.671 3.226 -0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.236 6.120 -0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.103 4.714 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.301 3.543 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.345 7.259 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.623 3.905 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.269 7.625 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.913 5.946 -5.859 1.00 0.00 H new ATOM 712 N VAL A 43 0.627 3.400 1.723 1.00 0.00 N ATOM 713 CA VAL A 43 1.174 3.349 3.074 1.00 0.00 C ATOM 714 C VAL A 43 2.678 3.101 3.049 1.00 0.00 C ATOM 715 O VAL A 43 3.175 2.320 2.238 1.00 0.00 O ATOM 716 CB VAL A 43 0.497 2.247 3.913 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.927 2.646 4.267 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.518 0.922 3.165 1.00 0.00 C ATOM 0 H VAL A 43 0.989 2.684 1.094 1.00 0.00 H new ATOM 0 HA VAL A 43 0.976 4.318 3.532 1.00 0.00 H new ATOM 0 HB VAL A 43 1.056 2.124 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.390 1.856 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.913 3.571 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.501 2.797 3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.036 0.155 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.017 1.028 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.550 0.633 2.966 1.00 0.00 H new ATOM 728 N ASP A 44 3.398 3.770 3.944 1.00 0.00 N ATOM 729 CA ASP A 44 4.845 3.621 4.027 1.00 0.00 C ATOM 730 C ASP A 44 5.223 2.520 5.012 1.00 0.00 C ATOM 731 O ASP A 44 4.861 2.573 6.188 1.00 0.00 O ATOM 732 CB ASP A 44 5.492 4.942 4.446 1.00 0.00 C ATOM 733 CG ASP A 44 6.981 4.804 4.697 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.728 4.577 3.722 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.399 4.922 5.867 1.00 0.00 O ATOM 0 H ASP A 44 3.002 4.421 4.622 1.00 0.00 H new ATOM 0 HA ASP A 44 5.214 3.342 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.325 5.687 3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.007 5.310 5.350 1.00 0.00 H new ATOM 740 N TYR A 45 5.953 1.522 4.525 1.00 0.00 N ATOM 741 CA TYR A 45 6.377 0.406 5.362 1.00 0.00 C ATOM 742 C TYR A 45 7.746 0.677 5.979 1.00 0.00 C ATOM 743 O TYR A 45 8.623 1.286 5.365 1.00 0.00 O ATOM 744 CB TYR A 45 6.421 -0.885 4.543 1.00 0.00 C ATOM 745 CG TYR A 45 7.515 -0.902 3.499 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.819 -1.244 3.835 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.244 -0.578 2.174 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.821 -1.260 2.883 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.239 -0.593 1.217 1.00 0.00 C ATOM 750 CZ TYR A 45 9.526 -0.934 1.576 1.00 0.00 C ATOM 751 OH TYR A 45 10.521 -0.950 0.626 1.00 0.00 O ATOM 0 H TYR A 45 6.263 1.463 3.555 1.00 0.00 H new ATOM 0 HA TYR A 45 5.651 0.293 6.168 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.561 -1.729 5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.459 -1.027 4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.054 -1.502 4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.237 -0.310 1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.830 -1.526 3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.011 -0.339 0.192 1.00 0.00 H new ATOM 0 HH TYR A 45 10.147 -0.697 -0.244 1.00 0.00 H new ATOM 761 N PRO A 46 7.935 0.215 7.223 1.00 0.00 N ATOM 762 CA PRO A 46 9.194 0.393 7.952 1.00 0.00 C ATOM 763 C PRO A 46 10.328 -0.442 7.364 1.00 0.00 C ATOM 764 O PRO A 46 11.445 0.045 7.194 1.00 0.00 O ATOM 765 CB PRO A 46 8.857 -0.084 9.366 1.00 0.00 C ATOM 766 CG PRO A 46 7.725 -1.035 9.185 1.00 0.00 C ATOM 767 CD PRO A 46 6.934 -0.520 8.015 1.00 0.00 C ATOM 0 HA PRO A 46 9.547 1.423 7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.712 -0.571 9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.575 0.750 10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.090 -2.044 8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.108 -1.083 10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.487 -1.333 7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.119 0.129 8.335 1.00 0.00 H new ATOM 775 N ASP A 47 10.031 -1.699 7.057 1.00 0.00 N ATOM 776 CA ASP A 47 11.026 -2.601 6.486 1.00 0.00 C ATOM 777 C ASP A 47 10.389 -3.528 5.454 1.00 0.00 C ATOM 778 O ASP A 47 9.169 -3.685 5.417 1.00 0.00 O ATOM 779 CB ASP A 47 11.690 -3.426 7.589 1.00 0.00 C ATOM 780 CG ASP A 47 13.103 -3.840 7.231 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.260 -4.819 6.472 1.00 0.00 O ATOM 782 OD2 ASP A 47 14.052 -3.184 7.708 1.00 0.00 O ATOM 0 H ASP A 47 9.111 -2.117 7.193 1.00 0.00 H new ATOM 0 HA ASP A 47 11.785 -1.998 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.707 -2.846 8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.092 -4.316 7.783 1.00 0.00 H new ATOM 787 N GLN A 48 11.225 -4.137 4.619 1.00 0.00 N ATOM 788 CA GLN A 48 10.743 -5.047 3.586 1.00 0.00 C ATOM 789 C GLN A 48 10.050 -6.256 4.206 1.00 0.00 C ATOM 790 O GLN A 48 9.050 -6.746 3.681 1.00 0.00 O ATOM 791 CB GLN A 48 11.903 -5.507 2.702 1.00 0.00 C ATOM 792 CG GLN A 48 11.517 -6.590 1.707 1.00 0.00 C ATOM 793 CD GLN A 48 12.649 -6.946 0.763 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.762 -6.436 0.890 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.370 -7.827 -0.190 1.00 0.00 N ATOM 0 H GLN A 48 12.238 -4.017 4.637 1.00 0.00 H new ATOM 0 HA GLN A 48 10.018 -4.511 2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.297 -4.649 2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.708 -5.878 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.207 -7.483 2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.657 -6.255 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.433 -8.225 -0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.092 -8.106 -0.854 1.00 0.00 H new ATOM 804 N ASN A 49 10.587 -6.732 5.324 1.00 0.00 N ATOM 805 CA ASN A 49 10.019 -7.884 6.015 1.00 0.00 C ATOM 806 C ASN A 49 8.630 -7.563 6.558 1.00 0.00 C ATOM 807 O ASN A 49 7.720 -8.389 6.493 1.00 0.00 O ATOM 808 CB ASN A 49 10.937 -8.323 7.157 1.00 0.00 C ATOM 809 CG ASN A 49 12.215 -8.968 6.657 1.00 0.00 C ATOM 810 OD1 ASN A 49 13.120 -8.286 6.175 1.00 0.00 O ATOM 811 ND2 ASN A 49 12.295 -10.288 6.769 1.00 0.00 N ATOM 0 H ASN A 49 11.415 -6.338 5.771 1.00 0.00 H new ATOM 0 HA ASN A 49 9.929 -8.699 5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.186 -7.458 7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.405 -9.026 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.131 -10.777 6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.521 -10.813 7.175 1.00 0.00 H new ATOM 818 N TRP A 50 8.475 -6.357 7.095 1.00 0.00 N ATOM 819 CA TRP A 50 7.197 -5.926 7.648 1.00 0.00 C ATOM 820 C TRP A 50 6.136 -5.824 6.557 1.00 0.00 C ATOM 821 O TRP A 50 4.996 -6.243 6.748 1.00 0.00 O ATOM 822 CB TRP A 50 7.352 -4.578 8.354 1.00 0.00 C ATOM 823 CG TRP A 50 6.061 -4.035 8.888 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.628 -4.076 10.182 1.00 0.00 C ATOM 825 CD2 TRP A 50 5.037 -3.370 8.140 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.396 -3.477 10.285 1.00 0.00 N ATOM 827 CE2 TRP A 50 4.011 -3.036 9.046 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.886 -3.024 6.795 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.853 -2.373 8.647 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.737 -2.367 6.401 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.732 -2.046 7.324 1.00 0.00 C ATOM 0 H TRP A 50 9.218 -5.662 7.159 1.00 0.00 H new ATOM 0 HA TRP A 50 6.874 -6.673 8.373 1.00 0.00 H new ATOM 0 HB2 TRP A 50 8.060 -4.686 9.176 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.780 -3.858 7.657 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.174 -4.515 11.004 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.856 -3.377 11.144 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.654 -3.266 6.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.078 -2.126 9.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.610 -2.096 5.363 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.846 -1.531 6.984 1.00 0.00 H new ATOM 842 N ALA A 51 6.522 -5.266 5.416 1.00 0.00 N ATOM 843 CA ALA A 51 5.604 -5.111 4.293 1.00 0.00 C ATOM 844 C ALA A 51 5.092 -6.465 3.813 1.00 0.00 C ATOM 845 O ALA A 51 3.902 -6.631 3.549 1.00 0.00 O ATOM 846 CB ALA A 51 6.285 -4.367 3.154 1.00 0.00 C ATOM 0 H ALA A 51 7.463 -4.913 5.243 1.00 0.00 H new ATOM 0 HA ALA A 51 4.748 -4.528 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.589 -4.258 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.596 -3.381 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.159 -4.928 2.824 1.00 0.00 H new ATOM 852 N ILE A 52 6.000 -7.429 3.699 1.00 0.00 N ATOM 853 CA ILE A 52 5.640 -8.768 3.249 1.00 0.00 C ATOM 854 C ILE A 52 4.705 -9.448 4.244 1.00 0.00 C ATOM 855 O ILE A 52 3.711 -10.063 3.857 1.00 0.00 O ATOM 856 CB ILE A 52 6.887 -9.649 3.048 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.832 -9.008 2.031 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.482 -11.044 2.598 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.253 -9.520 2.119 1.00 0.00 C ATOM 0 H ILE A 52 6.990 -7.308 3.912 1.00 0.00 H new ATOM 0 HA ILE A 52 5.129 -8.654 2.293 1.00 0.00 H new ATOM 0 HB ILE A 52 7.412 -9.734 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.450 -9.191 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.834 -7.928 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.374 -11.655 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.844 -11.499 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.938 -10.979 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.866 -9.022 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.654 -9.313 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.264 -10.595 1.941 1.00 0.00 H new ATOM 871 N ARG A 53 5.031 -9.334 5.527 1.00 0.00 N ATOM 872 CA ARG A 53 4.221 -9.937 6.579 1.00 0.00 C ATOM 873 C ARG A 53 2.876 -9.227 6.704 1.00 0.00 C ATOM 874 O ARG A 53 1.854 -9.856 6.975 1.00 0.00 O ATOM 875 CB ARG A 53 4.962 -9.888 7.916 1.00 0.00 C ATOM 876 CG ARG A 53 4.304 -10.716 9.008 1.00 0.00 C ATOM 877 CD ARG A 53 5.330 -11.262 9.987 1.00 0.00 C ATOM 878 NE ARG A 53 6.357 -12.056 9.319 1.00 0.00 N ATOM 879 CZ ARG A 53 6.149 -13.281 8.848 1.00 0.00 C ATOM 880 NH1 ARG A 53 4.957 -13.849 8.974 1.00 0.00 N ATOM 881 NH2 ARG A 53 7.133 -13.941 8.251 1.00 0.00 N ATOM 0 H ARG A 53 5.851 -8.829 5.864 1.00 0.00 H new ATOM 0 HA ARG A 53 4.040 -10.978 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.983 -10.241 7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.028 -8.852 8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.579 -10.103 9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.753 -11.542 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.800 -10.434 10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.827 -11.875 10.734 1.00 0.00 H new ATOM 0 HE ARG A 53 7.285 -11.648 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.198 -13.345 9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.799 -14.789 8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.051 -13.508 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.971 -14.881 7.890 1.00 0.00 H new ATOM 895 N ALA A 54 2.886 -7.913 6.506 1.00 0.00 N ATOM 896 CA ALA A 54 1.668 -7.118 6.595 1.00 0.00 C ATOM 897 C ALA A 54 0.754 -7.378 5.403 1.00 0.00 C ATOM 898 O ALA A 54 -0.454 -7.549 5.562 1.00 0.00 O ATOM 899 CB ALA A 54 2.010 -5.639 6.688 1.00 0.00 C ATOM 0 H ALA A 54 3.724 -7.377 6.283 1.00 0.00 H new ATOM 0 HA ALA A 54 1.135 -7.414 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.091 -5.057 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.617 -5.461 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.567 -5.338 5.801 1.00 0.00 H new ATOM 905 N ILE A 55 1.339 -7.404 4.210 1.00 0.00 N ATOM 906 CA ILE A 55 0.576 -7.643 2.991 1.00 0.00 C ATOM 907 C ILE A 55 -0.018 -9.048 2.981 1.00 0.00 C ATOM 908 O ILE A 55 -1.202 -9.229 2.700 1.00 0.00 O ATOM 909 CB ILE A 55 1.448 -7.458 1.736 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.796 -5.981 1.543 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.733 -8.004 0.508 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.102 -5.757 0.814 1.00 0.00 C ATOM 0 H ILE A 55 2.338 -7.263 4.062 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.230 -6.910 2.974 1.00 0.00 H new ATOM 0 HB ILE A 55 2.375 -8.016 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.992 -5.496 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.847 -5.498 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.362 -7.866 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.532 -9.066 0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.208 -7.472 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.284 -4.687 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.916 -6.212 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.049 -6.210 -0.176 1.00 0.00 H new ATOM 924 N GLU A 56 0.812 -10.038 3.293 1.00 0.00 N ATOM 925 CA GLU A 56 0.368 -11.427 3.321 1.00 0.00 C ATOM 926 C GLU A 56 -0.704 -11.634 4.386 1.00 0.00 C ATOM 927 O GLU A 56 -1.659 -12.386 4.185 1.00 0.00 O ATOM 928 CB GLU A 56 1.552 -12.358 3.585 1.00 0.00 C ATOM 929 CG GLU A 56 2.279 -12.793 2.324 1.00 0.00 C ATOM 930 CD GLU A 56 1.578 -13.930 1.608 1.00 0.00 C ATOM 931 OE1 GLU A 56 1.451 -15.020 2.205 1.00 0.00 O ATOM 932 OE2 GLU A 56 1.156 -13.731 0.449 1.00 0.00 O ATOM 0 H GLU A 56 1.795 -9.904 3.530 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.061 -11.664 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.258 -11.855 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.196 -13.243 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.366 -11.942 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.292 -13.101 2.582 1.00 0.00 H new ATOM 939 N THR A 57 -0.540 -10.961 5.521 1.00 0.00 N ATOM 940 CA THR A 57 -1.493 -11.071 6.619 1.00 0.00 C ATOM 941 C THR A 57 -2.715 -10.194 6.377 1.00 0.00 C ATOM 942 O THR A 57 -3.807 -10.483 6.869 1.00 0.00 O ATOM 943 CB THR A 57 -0.849 -10.678 7.962 1.00 0.00 C ATOM 944 OG1 THR A 57 0.127 -11.654 8.344 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.903 -10.553 9.052 1.00 0.00 C ATOM 0 H THR A 57 0.244 -10.334 5.704 1.00 0.00 H new ATOM 0 HA THR A 57 -1.804 -12.115 6.665 1.00 0.00 H new ATOM 0 HB THR A 57 -0.363 -9.711 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.009 -11.380 8.017 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.424 -10.275 9.991 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.626 -9.787 8.773 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.415 -11.508 9.175 1.00 0.00 H new ATOM 953 N LEU A 58 -2.526 -9.121 5.617 1.00 0.00 N ATOM 954 CA LEU A 58 -3.615 -8.200 5.310 1.00 0.00 C ATOM 955 C LEU A 58 -4.273 -8.561 3.982 1.00 0.00 C ATOM 956 O LEU A 58 -5.378 -9.103 3.953 1.00 0.00 O ATOM 957 CB LEU A 58 -3.095 -6.762 5.261 1.00 0.00 C ATOM 958 CG LEU A 58 -2.604 -6.181 6.586 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.837 -4.888 6.351 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.773 -5.945 7.531 1.00 0.00 C ATOM 0 H LEU A 58 -1.629 -8.867 5.202 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.362 -8.282 6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.277 -6.717 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.890 -6.122 4.879 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.929 -6.901 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.495 -4.489 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.977 -5.086 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.489 -4.161 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.404 -5.531 8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.473 -5.245 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.280 -6.890 7.726 1.00 0.00 H new ATOM 972 N SER A 59 -3.587 -8.257 2.885 1.00 0.00 N ATOM 973 CA SER A 59 -4.106 -8.548 1.553 1.00 0.00 C ATOM 974 C SER A 59 -4.551 -10.003 1.450 1.00 0.00 C ATOM 975 O SER A 59 -3.792 -10.920 1.764 1.00 0.00 O ATOM 976 CB SER A 59 -3.044 -8.249 0.493 1.00 0.00 C ATOM 977 OG SER A 59 -3.456 -8.708 -0.783 1.00 0.00 O ATOM 0 H SER A 59 -2.671 -7.809 2.892 1.00 0.00 H new ATOM 0 HA SER A 59 -4.972 -7.909 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.856 -7.176 0.454 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.104 -8.727 0.769 1.00 0.00 H new ATOM 0 HG SER A 59 -2.762 -8.504 -1.444 1.00 0.00 H new ATOM 983 N GLY A 60 -5.787 -10.208 1.006 1.00 0.00 N ATOM 984 CA GLY A 60 -6.313 -11.554 0.867 1.00 0.00 C ATOM 985 C GLY A 60 -6.772 -12.134 2.190 1.00 0.00 C ATOM 986 O GLY A 60 -7.462 -13.155 2.223 1.00 0.00 O ATOM 0 H GLY A 60 -6.434 -9.466 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.149 -11.544 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.546 -12.198 0.437 1.00 0.00 H new ATOM 990 N LYS A 61 -6.391 -11.486 3.284 1.00 0.00 N ATOM 991 CA LYS A 61 -6.768 -11.943 4.617 1.00 0.00 C ATOM 992 C LYS A 61 -7.503 -10.847 5.380 1.00 0.00 C ATOM 993 O LYS A 61 -7.650 -10.919 6.600 1.00 0.00 O ATOM 994 CB LYS A 61 -5.526 -12.380 5.398 1.00 0.00 C ATOM 995 CG LYS A 61 -5.133 -13.827 5.157 1.00 0.00 C ATOM 996 CD LYS A 61 -5.981 -14.780 5.982 1.00 0.00 C ATOM 997 CE LYS A 61 -5.525 -16.221 5.813 1.00 0.00 C ATOM 998 NZ LYS A 61 -5.691 -16.694 4.411 1.00 0.00 N ATOM 0 H LYS A 61 -5.820 -10.641 3.275 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.439 -12.795 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.690 -11.735 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.707 -12.234 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.243 -14.063 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.081 -13.966 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.925 -14.501 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.026 -14.690 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.478 -16.307 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.096 -16.864 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.499 -17.715 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.665 -16.510 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.025 -16.188 3.793 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.964 -9.833 4.655 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.687 -8.723 5.264 1.00 0.00 C ATOM 1014 C VAL A 62 -9.753 -8.178 4.321 1.00 0.00 C ATOM 1015 O VAL A 62 -9.469 -7.861 3.166 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.732 -7.581 5.658 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.518 -6.343 6.061 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.806 -8.024 6.781 1.00 0.00 C ATOM 0 H VAL A 62 -7.850 -9.757 3.644 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.166 -9.112 6.162 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.120 -7.328 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.827 -5.547 6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.135 -6.015 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.157 -6.579 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.138 -7.205 7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.399 -8.306 7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.217 -8.880 6.451 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.979 -8.070 4.821 1.00 0.00 N ATOM 1029 CA GLU A 63 -12.088 -7.563 4.022 1.00 0.00 C ATOM 1030 C GLU A 63 -12.619 -6.253 4.597 1.00 0.00 C ATOM 1031 O GLU A 63 -12.888 -6.150 5.794 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.215 -8.597 3.957 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.563 -8.005 3.583 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.302 -7.437 4.779 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.992 -8.213 5.474 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.192 -6.217 5.019 1.00 0.00 O ATOM 0 H GLU A 63 -11.230 -8.327 5.776 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.718 -7.375 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.951 -9.365 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.300 -9.090 4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.417 -7.218 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.176 -8.774 3.114 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.766 -5.252 3.735 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.263 -3.947 4.156 1.00 0.00 C ATOM 1045 C LEU A 64 -14.553 -3.593 3.422 1.00 0.00 C ATOM 1046 O LEU A 64 -14.576 -3.498 2.195 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.207 -2.870 3.900 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.261 -1.646 4.815 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.262 -2.071 6.276 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.092 -0.715 4.531 1.00 0.00 C ATOM 0 H LEU A 64 -12.548 -5.320 2.741 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.475 -3.994 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.222 -3.326 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.304 -2.532 2.868 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.187 -1.107 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.301 -1.187 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.132 -2.697 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.354 -2.634 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.147 0.150 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.155 -1.244 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.135 -0.383 3.494 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.626 -3.399 4.182 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.920 -3.053 3.605 1.00 0.00 C ATOM 1064 C HIS A 65 -17.428 -4.172 2.700 1.00 0.00 C ATOM 1065 O HIS A 65 -18.082 -3.918 1.691 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.816 -1.748 2.814 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.073 -0.526 3.639 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.319 0.051 3.762 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.234 0.230 4.386 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.236 1.110 4.549 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.981 1.240 4.941 1.00 0.00 N ATOM 0 H HIS A 65 -15.625 -3.476 5.199 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.631 -2.919 4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.821 -1.677 2.375 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.527 -1.775 1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.175 0.069 4.520 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.055 1.758 4.825 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.625 1.972 5.556 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.120 -5.412 3.071 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.552 -6.550 2.281 1.00 0.00 C ATOM 1081 C GLY A 66 -16.671 -6.784 1.070 1.00 0.00 C ATOM 1082 O GLY A 66 -16.814 -7.790 0.374 1.00 0.00 O ATOM 0 H GLY A 66 -16.580 -5.648 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.550 -7.443 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.580 -6.392 1.954 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.757 -5.853 0.816 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.850 -5.961 -0.319 1.00 0.00 C ATOM 1088 C LYS A 67 -13.435 -6.291 0.145 1.00 0.00 C ATOM 1089 O LYS A 67 -12.903 -5.646 1.049 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.845 -4.658 -1.120 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.196 -4.304 -1.717 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.218 -2.879 -2.244 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.567 -2.532 -2.855 1.00 0.00 C ATOM 1094 NZ LYS A 67 -18.594 -2.257 -1.812 1.00 0.00 N ATOM 0 H LYS A 67 -15.625 -5.015 1.382 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.202 -6.771 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.520 -3.844 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.112 -4.738 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.429 -4.996 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.972 -4.425 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.996 -2.186 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.435 -2.755 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.460 -1.659 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.902 -3.355 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.499 -2.025 -2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.715 -3.099 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.287 -1.455 -1.225 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.830 -7.295 -0.480 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.476 -7.707 -0.132 1.00 0.00 C ATOM 1110 C ILE A 68 -10.460 -6.637 -0.516 1.00 0.00 C ATOM 1111 O ILE A 68 -10.444 -6.160 -1.651 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.096 -9.031 -0.821 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.139 -10.108 -0.517 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.713 -9.483 -0.372 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.040 -10.666 0.885 1.00 0.00 C ATOM 0 H ILE A 68 -13.256 -7.839 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.458 -7.851 0.948 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.073 -8.869 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.135 -9.690 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.027 -10.923 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.458 -10.420 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.978 -8.722 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.711 -9.631 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.810 -11.424 1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.057 -11.114 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.182 -9.862 1.607 1.00 0.00 H new ATOM 1127 N MET A 69 -9.612 -6.264 0.436 1.00 0.00 N ATOM 1128 CA MET A 69 -8.590 -5.251 0.197 1.00 0.00 C ATOM 1129 C MET A 69 -7.347 -5.873 -0.432 1.00 0.00 C ATOM 1130 O MET A 69 -6.864 -6.910 0.022 1.00 0.00 O ATOM 1131 CB MET A 69 -8.218 -4.552 1.505 1.00 0.00 C ATOM 1132 CG MET A 69 -7.077 -5.224 2.251 1.00 0.00 C ATOM 1133 SD MET A 69 -6.980 -4.712 3.978 1.00 0.00 S ATOM 1134 CE MET A 69 -6.230 -3.095 3.810 1.00 0.00 C ATOM 0 H MET A 69 -9.612 -6.648 1.381 1.00 0.00 H new ATOM 0 HA MET A 69 -8.998 -4.515 -0.496 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.942 -3.520 1.290 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.095 -4.519 2.152 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.204 -6.306 2.203 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.136 -4.991 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.498 -2.949 4.605 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.734 -3.023 2.842 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.001 -2.327 3.881 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.835 -5.233 -1.479 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.649 -5.724 -2.170 1.00 0.00 C ATOM 1146 C GLU A 70 -4.455 -4.807 -1.922 1.00 0.00 C ATOM 1147 O GLU A 70 -4.535 -3.595 -2.128 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.917 -5.837 -3.672 1.00 0.00 C ATOM 1149 CG GLU A 70 -5.040 -6.864 -4.371 1.00 0.00 C ATOM 1150 CD GLU A 70 -4.961 -6.639 -5.868 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -4.210 -5.737 -6.294 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -5.649 -7.367 -6.615 1.00 0.00 O ATOM 0 H GLU A 70 -7.223 -4.373 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.413 -6.712 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.964 -6.099 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.761 -4.863 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.036 -6.827 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.431 -7.863 -4.177 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.348 -5.393 -1.477 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.137 -4.629 -1.201 1.00 0.00 C ATOM 1161 C VAL A 71 -0.982 -5.096 -2.079 1.00 0.00 C ATOM 1162 O VAL A 71 -0.665 -6.285 -2.128 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.724 -4.747 0.278 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.752 -3.638 0.651 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.950 -4.718 1.177 1.00 0.00 C ATOM 0 H VAL A 71 -3.265 -6.394 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.362 -3.586 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.220 -5.703 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.471 -3.738 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.140 -3.711 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.227 -2.670 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.640 -4.802 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.485 -3.779 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.606 -5.552 0.925 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.352 -4.151 -2.771 1.00 0.00 N ATOM 1176 CA ASP A 72 0.771 -4.465 -3.647 1.00 0.00 C ATOM 1177 C ASP A 72 1.753 -3.299 -3.710 1.00 0.00 C ATOM 1178 O ASP A 72 1.349 -2.138 -3.782 1.00 0.00 O ATOM 1179 CB ASP A 72 0.270 -4.804 -5.052 1.00 0.00 C ATOM 1180 CG ASP A 72 -0.159 -6.252 -5.180 1.00 0.00 C ATOM 1181 OD1 ASP A 72 0.667 -7.143 -4.893 1.00 0.00 O ATOM 1182 OD2 ASP A 72 -1.321 -6.496 -5.568 1.00 0.00 O ATOM 0 H ASP A 72 -0.600 -3.162 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 72 1.290 -5.331 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.570 -4.156 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.058 -4.596 -5.776 1.00 0.00 H new ATOM 1187 N TYR A 73 3.042 -3.617 -3.683 1.00 0.00 N ATOM 1188 CA TYR A 73 4.081 -2.595 -3.735 1.00 0.00 C ATOM 1189 C TYR A 73 3.664 -1.438 -4.636 1.00 0.00 C ATOM 1190 O TYR A 73 3.071 -1.644 -5.696 1.00 0.00 O ATOM 1191 CB TYR A 73 5.394 -3.198 -4.235 1.00 0.00 C ATOM 1192 CG TYR A 73 5.744 -4.516 -3.579 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.161 -4.564 -2.255 1.00 0.00 C ATOM 1194 CD2 TYR A 73 5.659 -5.710 -4.284 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.482 -5.765 -1.651 1.00 0.00 C ATOM 1196 CE2 TYR A 73 5.976 -6.914 -3.689 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.389 -6.937 -2.372 1.00 0.00 C ATOM 1198 OH TYR A 73 6.707 -8.136 -1.776 1.00 0.00 O ATOM 0 H TYR A 73 3.393 -4.573 -3.625 1.00 0.00 H new ATOM 0 HA TYR A 73 4.227 -2.210 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.330 -3.344 -5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.201 -2.488 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.236 -3.648 -1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.339 -5.696 -5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.804 -5.786 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.901 -7.833 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 73 6.587 -8.864 -2.421 1.00 0.00 H new ATOM 1208 N SER A 74 3.978 -0.219 -4.210 1.00 0.00 N ATOM 1209 CA SER A 74 3.634 0.973 -4.976 1.00 0.00 C ATOM 1210 C SER A 74 4.721 1.294 -5.997 1.00 0.00 C ATOM 1211 O SER A 74 5.624 2.087 -5.732 1.00 0.00 O ATOM 1212 CB SER A 74 3.429 2.165 -4.040 1.00 0.00 C ATOM 1213 OG SER A 74 2.866 3.266 -4.732 1.00 0.00 O ATOM 0 H SER A 74 4.471 -0.031 -3.337 1.00 0.00 H new ATOM 0 HA SER A 74 2.704 0.776 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.776 1.877 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.384 2.456 -3.602 1.00 0.00 H new ATOM 0 HG SER A 74 2.026 3.528 -4.301 1.00 0.00 H new