USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 562 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 Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.31) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00535 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0969 K(o=-0.097,f=-0.95) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00358 K(o=-0.0036,f=-1.2) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.019 K(o=-0.019,f=-2.6) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 78:sc= 0.719 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 123:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.419 5.385 4.024 1.00 0.00 N ATOM 41 CA ALA A 3 10.411 4.677 4.788 1.00 0.00 C ATOM 42 C ALA A 3 10.399 5.239 6.212 1.00 0.00 C ATOM 43 O ALA A 3 9.392 5.770 6.665 1.00 0.00 O ATOM 44 CB ALA A 3 10.690 3.171 4.767 1.00 0.00 C ATOM 0 HA ALA A 3 9.425 4.822 4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.926 2.651 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.674 2.812 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.670 2.976 5.204 1.00 0.00 H new ATOM 50 N SER A 4 11.509 5.045 6.928 1.00 0.00 N ATOM 51 CA SER A 4 11.632 4.399 8.229 1.00 0.00 C ATOM 52 C SER A 4 10.601 3.297 8.362 1.00 0.00 C ATOM 53 O SER A 4 10.912 2.121 8.264 1.00 0.00 O ATOM 54 CB SER A 4 11.584 5.377 9.413 1.00 0.00 C ATOM 55 OG SER A 4 12.785 6.117 9.529 1.00 0.00 O ATOM 0 H SER A 4 12.415 5.362 6.582 1.00 0.00 H new ATOM 0 HA SER A 4 12.628 3.958 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.745 6.062 9.286 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.407 4.824 10.335 1.00 0.00 H new ATOM 0 HG SER A 4 12.719 6.730 10.291 1.00 0.00 H new ATOM 61 N GLU A 5 9.362 3.709 8.492 1.00 0.00 N ATOM 62 CA GLU A 5 8.266 2.947 9.092 1.00 0.00 C ATOM 63 C GLU A 5 7.987 1.652 8.316 1.00 0.00 C ATOM 64 O GLU A 5 7.931 0.567 8.877 1.00 0.00 O ATOM 65 CB GLU A 5 7.049 3.865 9.296 1.00 0.00 C ATOM 66 CG GLU A 5 6.402 4.381 8.003 1.00 0.00 C ATOM 67 CD GLU A 5 5.623 5.675 8.254 1.00 0.00 C ATOM 68 OE1 GLU A 5 4.435 5.568 8.625 1.00 0.00 O ATOM 69 OE2 GLU A 5 6.210 6.780 8.123 1.00 0.00 O ATOM 0 H GLU A 5 9.065 4.630 8.169 1.00 0.00 H new ATOM 0 HA GLU A 5 8.550 2.599 10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.297 3.324 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.355 4.721 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.172 4.557 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.732 3.622 7.600 1.00 0.00 H new ATOM 76 N LEU A 6 7.951 1.727 6.993 1.00 0.00 N ATOM 77 CA LEU A 6 7.762 0.581 6.096 1.00 0.00 C ATOM 78 C LEU A 6 9.025 -0.288 5.945 1.00 0.00 C ATOM 79 O LEU A 6 9.045 -1.276 5.216 1.00 0.00 O ATOM 80 CB LEU A 6 7.424 1.167 4.718 1.00 0.00 C ATOM 81 CG LEU A 6 5.944 1.344 4.338 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.087 2.106 5.348 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.906 2.157 3.038 1.00 0.00 C ATOM 0 H LEU A 6 8.055 2.610 6.493 1.00 0.00 H new ATOM 0 HA LEU A 6 6.982 -0.060 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.904 2.143 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.886 0.529 3.964 1.00 0.00 H new ATOM 0 HG LEU A 6 5.529 0.338 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.063 2.172 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.096 1.580 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.490 3.110 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.870 2.306 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.379 3.125 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.441 1.618 2.256 1.00 0.00 H new ATOM 95 N ARG A 7 10.133 0.066 6.572 1.00 0.00 N ATOM 96 CA ARG A 7 11.256 -0.802 6.781 1.00 0.00 C ATOM 97 C ARG A 7 11.364 -1.198 8.260 1.00 0.00 C ATOM 98 O ARG A 7 12.178 -2.062 8.597 1.00 0.00 O ATOM 99 CB ARG A 7 12.471 -0.023 6.268 1.00 0.00 C ATOM 100 CG ARG A 7 13.644 -0.958 6.052 1.00 0.00 C ATOM 101 CD ARG A 7 14.752 -0.804 7.095 1.00 0.00 C ATOM 102 NE ARG A 7 15.811 -1.791 6.867 1.00 0.00 N ATOM 103 CZ ARG A 7 16.578 -2.383 7.782 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.411 -2.145 9.079 1.00 0.00 N ATOM 105 NH2 ARG A 7 17.535 -3.214 7.385 1.00 0.00 N ATOM 0 H ARG A 7 10.271 1.000 6.959 1.00 0.00 H new ATOM 0 HA ARG A 7 11.167 -1.748 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.221 0.479 5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.743 0.753 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.285 -1.987 6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.062 -0.780 5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.168 0.202 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.338 -0.930 8.095 1.00 0.00 H new ATOM 0 HE ARG A 7 15.980 -2.055 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.685 -1.499 9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.009 -2.608 9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.676 -3.392 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.129 -3.674 8.075 1.00 0.00 H new ATOM 119 N ASN A 8 10.586 -0.566 9.143 1.00 0.00 N ATOM 120 CA ASN A 8 10.672 -0.731 10.579 1.00 0.00 C ATOM 121 C ASN A 8 9.933 -1.984 11.035 1.00 0.00 C ATOM 122 O ASN A 8 10.348 -2.553 12.045 1.00 0.00 O ATOM 123 CB ASN A 8 10.047 0.453 11.339 1.00 0.00 C ATOM 124 CG ASN A 8 10.853 1.739 11.459 1.00 0.00 C ATOM 125 OD1 ASN A 8 11.962 1.872 10.954 1.00 0.00 O ATOM 126 ND2 ASN A 8 10.294 2.740 12.121 1.00 0.00 N ATOM 0 H ASN A 8 9.860 0.092 8.860 1.00 0.00 H new ATOM 0 HA ASN A 8 11.737 -0.799 10.802 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.101 0.697 10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.810 0.113 12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.786 3.629 12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.371 2.623 12.539 1.00 0.00 H new ATOM 133 N TYR A 9 8.831 -2.395 10.382 1.00 0.00 N ATOM 134 CA TYR A 9 8.093 -3.541 10.850 1.00 0.00 C ATOM 135 C TYR A 9 8.925 -4.835 10.737 1.00 0.00 C ATOM 136 O TYR A 9 10.027 -4.817 10.178 1.00 0.00 O ATOM 137 CB TYR A 9 6.675 -3.563 10.308 1.00 0.00 C ATOM 138 CG TYR A 9 5.784 -2.458 10.825 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.068 -2.621 12.023 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.673 -1.262 10.096 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.219 -1.596 12.478 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.837 -0.229 10.547 1.00 0.00 C ATOM 143 CZ TYR A 9 4.096 -0.396 11.738 1.00 0.00 C ATOM 144 OH TYR A 9 3.283 0.605 12.168 1.00 0.00 O ATOM 0 H TYR A 9 8.452 -1.949 9.547 1.00 0.00 H new ATOM 0 HA TYR A 9 7.926 -3.458 11.924 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.715 -3.500 9.221 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.221 -4.523 10.555 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.169 -3.532 12.594 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.235 -1.137 9.182 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.660 -1.725 13.393 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.760 0.690 9.986 1.00 0.00 H new ATOM 0 HH TYR A 9 3.323 1.353 11.536 1.00 0.00 H new ATOM 154 N THR A 10 8.436 -5.968 11.235 1.00 0.00 N ATOM 155 CA THR A 10 8.958 -7.261 10.807 1.00 0.00 C ATOM 156 C THR A 10 8.343 -7.565 9.444 1.00 0.00 C ATOM 157 O THR A 10 7.213 -7.168 9.212 1.00 0.00 O ATOM 158 CB THR A 10 8.585 -8.341 11.828 1.00 0.00 C ATOM 159 OG1 THR A 10 7.182 -8.472 11.958 1.00 0.00 O ATOM 160 CG2 THR A 10 9.147 -8.017 13.216 1.00 0.00 C ATOM 0 H THR A 10 7.688 -6.017 11.927 1.00 0.00 H new ATOM 0 HA THR A 10 10.045 -7.242 10.735 1.00 0.00 H new ATOM 0 HB THR A 10 9.015 -9.270 11.454 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.978 -9.170 12.615 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.864 -8.803 13.916 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.234 -7.953 13.163 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.744 -7.064 13.558 1.00 0.00 H new ATOM 168 N ASP A 11 9.023 -8.262 8.535 1.00 0.00 N ATOM 169 CA ASP A 11 8.563 -8.636 7.197 1.00 0.00 C ATOM 170 C ASP A 11 7.139 -9.151 7.191 1.00 0.00 C ATOM 171 O ASP A 11 6.416 -8.895 6.233 1.00 0.00 O ATOM 172 CB ASP A 11 9.530 -9.654 6.579 1.00 0.00 C ATOM 173 CG ASP A 11 10.748 -8.952 5.981 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.214 -7.969 6.600 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.190 -9.365 4.884 1.00 0.00 O ATOM 0 H ASP A 11 9.966 -8.601 8.723 1.00 0.00 H new ATOM 0 HA ASP A 11 8.558 -7.734 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.852 -10.365 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.018 -10.225 5.805 1.00 0.00 H new ATOM 180 N GLU A 12 6.740 -9.824 8.265 1.00 0.00 N ATOM 181 CA GLU A 12 5.396 -10.297 8.501 1.00 0.00 C ATOM 182 C GLU A 12 4.387 -9.176 8.783 1.00 0.00 C ATOM 183 O GLU A 12 3.287 -9.152 8.227 1.00 0.00 O ATOM 184 CB GLU A 12 5.448 -11.247 9.692 1.00 0.00 C ATOM 185 CG GLU A 12 4.156 -12.054 9.838 1.00 0.00 C ATOM 186 CD GLU A 12 4.477 -13.531 9.699 1.00 0.00 C ATOM 187 OE1 GLU A 12 5.183 -14.064 10.590 1.00 0.00 O ATOM 188 OE2 GLU A 12 4.117 -14.129 8.666 1.00 0.00 O ATOM 0 H GLU A 12 7.379 -10.061 9.024 1.00 0.00 H new ATOM 0 HA GLU A 12 5.048 -10.790 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.290 -11.929 9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.624 -10.676 10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.697 -11.858 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.436 -11.752 9.078 1.00 0.00 H new ATOM 195 N GLU A 13 4.729 -8.250 9.671 1.00 0.00 N ATOM 196 CA GLU A 13 3.958 -7.053 9.958 1.00 0.00 C ATOM 197 C GLU A 13 3.940 -6.105 8.764 1.00 0.00 C ATOM 198 O GLU A 13 2.928 -5.445 8.547 1.00 0.00 O ATOM 199 CB GLU A 13 4.594 -6.367 11.170 1.00 0.00 C ATOM 200 CG GLU A 13 4.192 -7.066 12.465 1.00 0.00 C ATOM 201 CD GLU A 13 2.707 -6.946 12.816 1.00 0.00 C ATOM 202 OE1 GLU A 13 1.934 -6.198 12.177 1.00 0.00 O ATOM 203 OE2 GLU A 13 2.287 -7.638 13.774 1.00 0.00 O ATOM 0 H GLU A 13 5.581 -8.317 10.229 1.00 0.00 H new ATOM 0 HA GLU A 13 2.923 -7.325 10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.679 -6.375 11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.285 -5.322 11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.450 -8.122 12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.781 -6.653 13.284 1.00 0.00 H new ATOM 210 N LEU A 14 5.024 -6.062 7.974 1.00 0.00 N ATOM 211 CA LEU A 14 5.085 -5.319 6.730 1.00 0.00 C ATOM 212 C LEU A 14 4.009 -5.914 5.837 1.00 0.00 C ATOM 213 O LEU A 14 3.044 -5.219 5.546 1.00 0.00 O ATOM 214 CB LEU A 14 6.474 -5.320 6.029 1.00 0.00 C ATOM 215 CG LEU A 14 7.637 -4.399 6.495 1.00 0.00 C ATOM 216 CD1 LEU A 14 7.228 -2.999 6.996 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.567 -4.981 7.529 1.00 0.00 C ATOM 0 H LEU A 14 5.890 -6.554 8.195 1.00 0.00 H new ATOM 0 HA LEU A 14 4.918 -4.263 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.847 -6.343 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.295 -5.092 4.978 1.00 0.00 H new ATOM 0 HG LEU A 14 8.166 -4.305 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.118 -2.445 7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.717 -2.462 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.559 -3.099 7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.337 -4.251 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.002 -5.232 8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.035 -5.882 7.132 1.00 0.00 H new ATOM 229 N LYS A 15 4.108 -7.172 5.399 1.00 0.00 N ATOM 230 CA LYS A 15 3.177 -7.729 4.424 1.00 0.00 C ATOM 231 C LYS A 15 1.754 -7.576 4.906 1.00 0.00 C ATOM 232 O LYS A 15 0.933 -7.135 4.126 1.00 0.00 O ATOM 233 CB LYS A 15 3.495 -9.172 3.993 1.00 0.00 C ATOM 234 CG LYS A 15 3.974 -10.168 5.057 1.00 0.00 C ATOM 235 CD LYS A 15 3.087 -11.389 5.336 1.00 0.00 C ATOM 236 CE LYS A 15 1.774 -11.000 6.007 1.00 0.00 C ATOM 237 NZ LYS A 15 1.070 -12.151 6.597 1.00 0.00 N ATOM 0 H LYS A 15 4.829 -7.824 5.708 1.00 0.00 H new ATOM 0 HA LYS A 15 3.302 -7.144 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.597 -9.585 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.258 -9.125 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.959 -10.529 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.102 -9.624 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.876 -11.906 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.626 -12.091 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.974 -10.264 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.125 -10.520 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.186 -11.828 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.852 -12.844 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.674 -12.596 7.317 1.00 0.00 H new ATOM 251 N ASN A 16 1.457 -7.831 6.173 1.00 0.00 N ATOM 252 CA ASN A 16 0.101 -7.723 6.712 1.00 0.00 C ATOM 253 C ASN A 16 -0.452 -6.293 6.776 1.00 0.00 C ATOM 254 O ASN A 16 -1.624 -6.080 7.090 1.00 0.00 O ATOM 255 CB ASN A 16 0.144 -8.359 8.100 1.00 0.00 C ATOM 256 CG ASN A 16 -1.238 -8.413 8.731 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.110 -9.125 8.229 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.465 -7.661 9.791 1.00 0.00 N ATOM 0 H ASN A 16 2.151 -8.120 6.862 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.587 -8.234 6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.551 -9.367 8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.816 -7.789 8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.388 -7.656 10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.717 -7.085 10.177 1.00 0.00 H new ATOM 265 N LEU A 17 0.364 -5.296 6.465 1.00 0.00 N ATOM 266 CA LEU A 17 -0.008 -3.888 6.430 1.00 0.00 C ATOM 267 C LEU A 17 -0.034 -3.431 4.983 1.00 0.00 C ATOM 268 O LEU A 17 -0.973 -2.767 4.548 1.00 0.00 O ATOM 269 CB LEU A 17 1.002 -3.116 7.293 1.00 0.00 C ATOM 270 CG LEU A 17 0.565 -1.690 7.653 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.194 -1.262 8.986 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.922 -0.668 6.561 1.00 0.00 C ATOM 0 H LEU A 17 1.342 -5.452 6.220 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.002 -3.707 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.176 -3.673 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.954 -3.069 6.764 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.521 -1.707 7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.876 -0.248 9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.873 -1.942 9.775 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.280 -1.291 8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.590 0.324 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.001 -0.659 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.428 -0.944 5.629 1.00 0.00 H new ATOM 284 N LEU A 18 0.991 -3.820 4.226 1.00 0.00 N ATOM 285 CA LEU A 18 1.165 -3.401 2.845 1.00 0.00 C ATOM 286 C LEU A 18 0.167 -4.127 1.961 1.00 0.00 C ATOM 287 O LEU A 18 -0.302 -3.552 0.977 1.00 0.00 O ATOM 288 CB LEU A 18 2.591 -3.642 2.297 1.00 0.00 C ATOM 289 CG LEU A 18 3.855 -3.523 3.178 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.079 -3.175 2.340 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.855 -2.556 4.371 1.00 0.00 C ATOM 0 H LEU A 18 1.728 -4.440 4.561 1.00 0.00 H new ATOM 0 HA LEU A 18 0.996 -2.324 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.597 -4.649 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.725 -2.950 1.465 1.00 0.00 H new ATOM 0 HG LEU A 18 3.874 -4.521 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.953 -3.098 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.245 -3.955 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.916 -2.223 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.820 -2.601 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.678 -1.541 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.067 -2.839 5.069 1.00 0.00 H new ATOM 303 N GLU A 19 -0.166 -5.370 2.319 1.00 0.00 N ATOM 304 CA GLU A 19 -1.269 -6.105 1.721 1.00 0.00 C ATOM 305 C GLU A 19 -2.570 -5.305 1.854 1.00 0.00 C ATOM 306 O GLU A 19 -3.372 -5.298 0.919 1.00 0.00 O ATOM 307 CB GLU A 19 -1.380 -7.541 2.262 1.00 0.00 C ATOM 308 CG GLU A 19 -2.056 -7.663 3.636 1.00 0.00 C ATOM 309 CD GLU A 19 -3.594 -7.660 3.542 1.00 0.00 C ATOM 310 OE1 GLU A 19 -4.145 -8.370 2.659 1.00 0.00 O ATOM 311 OE2 GLU A 19 -4.233 -6.946 4.334 1.00 0.00 O ATOM 0 H GLU A 19 0.331 -5.894 3.039 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.066 -6.223 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.938 -8.142 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.379 -7.968 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.727 -8.583 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.733 -6.838 4.270 1.00 0.00 H new ATOM 318 N GLU A 20 -2.750 -4.597 2.974 1.00 0.00 N ATOM 319 CA GLU A 20 -3.992 -3.880 3.231 1.00 0.00 C ATOM 320 C GLU A 20 -4.129 -2.688 2.270 1.00 0.00 C ATOM 321 O GLU A 20 -5.180 -2.472 1.673 1.00 0.00 O ATOM 322 CB GLU A 20 -4.112 -3.447 4.694 1.00 0.00 C ATOM 323 CG GLU A 20 -5.590 -3.185 5.050 1.00 0.00 C ATOM 324 CD GLU A 20 -5.789 -2.389 6.340 1.00 0.00 C ATOM 325 OE1 GLU A 20 -4.857 -1.680 6.795 1.00 0.00 O ATOM 326 OE2 GLU A 20 -6.931 -2.354 6.850 1.00 0.00 O ATOM 0 H GLU A 20 -2.051 -4.508 3.711 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.820 -4.564 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.705 -4.221 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.524 -2.545 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.061 -2.647 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.105 -4.141 5.142 1.00 0.00 H new ATOM 333 N LYS A 21 -3.050 -1.953 2.010 1.00 0.00 N ATOM 334 CA LYS A 21 -3.002 -0.904 1.021 1.00 0.00 C ATOM 335 C LYS A 21 -3.311 -1.517 -0.344 1.00 0.00 C ATOM 336 O LYS A 21 -4.301 -1.128 -0.971 1.00 0.00 O ATOM 337 CB LYS A 21 -1.635 -0.202 1.138 1.00 0.00 C ATOM 338 CG LYS A 21 -1.297 0.268 2.564 1.00 0.00 C ATOM 339 CD LYS A 21 -2.288 1.232 3.230 1.00 0.00 C ATOM 340 CE LYS A 21 -2.084 2.699 2.842 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.930 3.571 3.671 1.00 0.00 N ATOM 0 H LYS A 21 -2.165 -2.083 2.501 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.753 -0.129 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.857 -0.884 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.621 0.658 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.203 -0.613 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.319 0.749 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.303 0.934 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.200 1.137 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.036 2.973 2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.327 2.840 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.781 4.563 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.929 3.320 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.679 3.448 4.673 1.00 0.00 H new ATOM 355 N LYS A 22 -2.481 -2.449 -0.850 1.00 0.00 N ATOM 356 CA LYS A 22 -2.738 -3.017 -2.181 1.00 0.00 C ATOM 357 C LYS A 22 -4.186 -3.527 -2.336 1.00 0.00 C ATOM 358 O LYS A 22 -4.746 -3.326 -3.412 1.00 0.00 O ATOM 359 CB LYS A 22 -1.705 -4.059 -2.653 1.00 0.00 C ATOM 360 CG LYS A 22 -1.315 -5.161 -1.664 1.00 0.00 C ATOM 361 CD LYS A 22 -1.737 -6.607 -1.979 1.00 0.00 C ATOM 362 CE LYS A 22 -3.204 -6.973 -1.709 1.00 0.00 C ATOM 363 NZ LYS A 22 -3.499 -8.347 -2.166 1.00 0.00 N ATOM 0 H LYS A 22 -1.655 -2.813 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.611 -2.174 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.094 -4.536 -3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.798 -3.528 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.230 -5.146 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.731 -4.898 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.526 -6.801 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.106 -7.280 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.414 -6.888 -0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.859 -6.267 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.496 -8.571 -1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.320 -8.419 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.889 -9.020 -1.659 1.00 0.00 H new ATOM 377 N ARG A 23 -4.794 -4.177 -1.325 1.00 0.00 N ATOM 378 CA ARG A 23 -6.182 -4.661 -1.422 1.00 0.00 C ATOM 379 C ARG A 23 -7.166 -3.502 -1.430 1.00 0.00 C ATOM 380 O ARG A 23 -7.991 -3.476 -2.339 1.00 0.00 O ATOM 381 CB ARG A 23 -6.557 -5.700 -0.338 1.00 0.00 C ATOM 382 CG ARG A 23 -6.697 -5.138 1.082 1.00 0.00 C ATOM 383 CD ARG A 23 -6.813 -6.162 2.206 1.00 0.00 C ATOM 384 NE ARG A 23 -7.974 -7.042 2.043 1.00 0.00 N ATOM 385 CZ ARG A 23 -7.971 -8.372 2.130 1.00 0.00 C ATOM 386 NH1 ARG A 23 -6.843 -9.047 2.330 1.00 0.00 N ATOM 387 NH2 ARG A 23 -9.121 -9.015 1.993 1.00 0.00 N ATOM 0 H ARG A 23 -4.344 -4.378 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.248 -5.186 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.498 -6.172 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.798 -6.483 -0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.834 -4.503 1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.578 -4.497 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.906 -6.765 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.886 -5.642 3.161 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.869 -6.594 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.959 -8.547 2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.862 -10.065 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.981 -8.492 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.147 -10.033 2.055 1.00 0.00 H new ATOM 401 N GLN A 24 -7.064 -2.563 -0.480 1.00 0.00 N ATOM 402 CA GLN A 24 -7.989 -1.455 -0.293 1.00 0.00 C ATOM 403 C GLN A 24 -8.194 -0.741 -1.612 1.00 0.00 C ATOM 404 O GLN A 24 -9.289 -0.328 -1.943 1.00 0.00 O ATOM 405 CB GLN A 24 -7.429 -0.423 0.704 1.00 0.00 C ATOM 406 CG GLN A 24 -7.944 -0.524 2.146 1.00 0.00 C ATOM 407 CD GLN A 24 -8.376 0.810 2.767 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.999 1.900 2.323 1.00 0.00 O ATOM 409 NE2 GLN A 24 -9.171 0.753 3.819 1.00 0.00 N ATOM 0 H GLN A 24 -6.304 -2.561 0.201 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.923 -1.867 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.343 -0.517 0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.656 0.575 0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.790 -1.210 2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.162 -0.962 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.477 -0.151 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.479 1.613 4.272 1.00 0.00 H new ATOM 418 N LEU A 25 -7.136 -0.562 -2.386 1.00 0.00 N ATOM 419 CA LEU A 25 -7.192 0.209 -3.616 1.00 0.00 C ATOM 420 C LEU A 25 -8.032 -0.445 -4.677 1.00 0.00 C ATOM 421 O LEU A 25 -8.890 0.176 -5.305 1.00 0.00 O ATOM 422 CB LEU A 25 -5.754 0.315 -4.065 1.00 0.00 C ATOM 423 CG LEU A 25 -5.412 1.267 -5.220 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.484 0.571 -6.585 1.00 0.00 C ATOM 425 CD2 LEU A 25 -6.322 2.488 -5.199 1.00 0.00 C ATOM 0 H LEU A 25 -6.215 -0.947 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.660 1.179 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.159 0.615 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.422 -0.683 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.382 1.590 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.234 1.284 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.776 -0.258 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.493 0.191 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.063 3.149 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.360 2.170 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.196 3.020 -4.256 1.00 0.00 H new ATOM 437 N MET A 26 -7.761 -1.733 -4.853 1.00 0.00 N ATOM 438 CA MET A 26 -8.541 -2.590 -5.702 1.00 0.00 C ATOM 439 C MET A 26 -9.957 -2.777 -5.137 1.00 0.00 C ATOM 440 O MET A 26 -10.795 -3.367 -5.817 1.00 0.00 O ATOM 441 CB MET A 26 -7.820 -3.935 -5.852 1.00 0.00 C ATOM 442 CG MET A 26 -6.382 -3.779 -6.376 1.00 0.00 C ATOM 443 SD MET A 26 -5.435 -5.314 -6.575 1.00 0.00 S ATOM 444 CE MET A 26 -3.805 -4.606 -6.928 1.00 0.00 C ATOM 0 H MET A 26 -6.980 -2.206 -4.399 1.00 0.00 H new ATOM 0 HA MET A 26 -8.645 -2.131 -6.685 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.798 -4.441 -4.887 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.384 -4.572 -6.533 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.421 -3.272 -7.340 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.837 -3.126 -5.695 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.085 -5.410 -7.081 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.861 -3.994 -7.828 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.487 -3.988 -6.088 1.00 0.00 H new ATOM 454 N GLU A 27 -10.243 -2.241 -3.948 1.00 0.00 N ATOM 455 CA GLU A 27 -11.578 -2.321 -3.339 1.00 0.00 C ATOM 456 C GLU A 27 -12.298 -0.964 -3.402 1.00 0.00 C ATOM 457 O GLU A 27 -13.499 -0.889 -3.629 1.00 0.00 O ATOM 458 CB GLU A 27 -11.451 -2.919 -1.923 1.00 0.00 C ATOM 459 CG GLU A 27 -12.260 -2.154 -0.874 1.00 0.00 C ATOM 460 CD GLU A 27 -12.131 -2.766 0.511 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.674 -3.864 0.742 1.00 0.00 O ATOM 462 OE2 GLU A 27 -11.520 -2.139 1.405 1.00 0.00 O ATOM 0 H GLU A 27 -9.560 -1.740 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.219 -2.995 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.782 -3.957 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.401 -2.925 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.924 -1.118 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.310 -2.140 -1.167 1.00 0.00 H new ATOM 469 N LEU A 28 -11.592 0.148 -3.270 1.00 0.00 N ATOM 470 CA LEU A 28 -12.175 1.473 -3.360 1.00 0.00 C ATOM 471 C LEU A 28 -12.631 1.701 -4.800 1.00 0.00 C ATOM 472 O LEU A 28 -13.713 2.229 -5.048 1.00 0.00 O ATOM 473 CB LEU A 28 -11.152 2.490 -2.837 1.00 0.00 C ATOM 474 CG LEU A 28 -11.257 2.819 -1.328 1.00 0.00 C ATOM 475 CD1 LEU A 28 -11.603 1.656 -0.393 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.922 3.400 -0.848 1.00 0.00 C ATOM 0 H LEU A 28 -10.587 0.153 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.062 1.590 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.151 2.110 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.263 3.415 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.094 3.515 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.647 2.016 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.571 1.240 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.838 0.884 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.988 3.634 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.128 2.670 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.699 4.309 -1.407 1.00 0.00 H new ATOM 488 N ARG A 29 -11.886 1.199 -5.786 1.00 0.00 N ATOM 489 CA ARG A 29 -12.372 1.193 -7.165 1.00 0.00 C ATOM 490 C ARG A 29 -13.681 0.413 -7.303 1.00 0.00 C ATOM 491 O ARG A 29 -14.524 0.795 -8.114 1.00 0.00 O ATOM 492 CB ARG A 29 -11.299 0.674 -8.125 1.00 0.00 C ATOM 493 CG ARG A 29 -10.952 -0.812 -7.937 1.00 0.00 C ATOM 494 CD ARG A 29 -9.850 -1.306 -8.882 1.00 0.00 C ATOM 495 NE ARG A 29 -10.192 -1.125 -10.306 1.00 0.00 N ATOM 496 CZ ARG A 29 -9.890 -0.065 -11.063 1.00 0.00 C ATOM 497 NH1 ARG A 29 -9.217 0.954 -10.539 1.00 0.00 N ATOM 498 NH2 ARG A 29 -10.249 0.015 -12.337 1.00 0.00 N ATOM 0 H ARG A 29 -10.957 0.797 -5.658 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.589 2.225 -7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.637 0.830 -9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.393 1.267 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.637 -0.976 -6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.850 -1.410 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.925 -0.771 -8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.660 -2.362 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.708 -1.881 -10.756 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.931 0.927 -9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.986 1.763 -11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.772 -0.747 -12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.002 0.839 -12.886 1.00 0.00 H new ATOM 512 N PHE A 30 -13.851 -0.649 -6.511 1.00 0.00 N ATOM 513 CA PHE A 30 -15.059 -1.450 -6.443 1.00 0.00 C ATOM 514 C PHE A 30 -16.193 -0.666 -5.771 1.00 0.00 C ATOM 515 O PHE A 30 -17.330 -0.797 -6.222 1.00 0.00 O ATOM 516 CB PHE A 30 -14.750 -2.797 -5.748 1.00 0.00 C ATOM 517 CG PHE A 30 -15.882 -3.477 -4.999 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.081 -3.172 -3.640 1.00 0.00 C ATOM 519 CD2 PHE A 30 -16.699 -4.448 -5.611 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.076 -3.834 -2.907 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.689 -5.119 -4.873 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.871 -4.818 -3.515 1.00 0.00 C ATOM 0 H PHE A 30 -13.121 -0.980 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.410 -1.680 -7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.384 -3.490 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.933 -2.633 -5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.465 -2.426 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -16.563 -4.679 -6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.232 -3.585 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -18.308 -5.864 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.620 -5.341 -2.939 1.00 0.00 H new ATOM 532 N GLN A 31 -15.930 0.179 -4.758 1.00 0.00 N ATOM 533 CA GLN A 31 -16.943 0.959 -4.083 1.00 0.00 C ATOM 534 C GLN A 31 -17.432 2.008 -5.041 1.00 0.00 C ATOM 535 O GLN A 31 -18.619 2.266 -5.106 1.00 0.00 O ATOM 536 CB GLN A 31 -16.361 1.681 -2.862 1.00 0.00 C ATOM 537 CG GLN A 31 -16.113 0.757 -1.668 1.00 0.00 C ATOM 538 CD GLN A 31 -15.759 1.542 -0.405 1.00 0.00 C ATOM 539 OE1 GLN A 31 -15.859 2.767 -0.356 1.00 0.00 O ATOM 540 NE2 GLN A 31 -15.336 0.863 0.639 1.00 0.00 N ATOM 0 H GLN A 31 -14.990 0.330 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.742 0.293 -3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.422 2.157 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.043 2.476 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.003 0.155 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.304 0.066 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.256 -0.153 0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.088 1.352 1.499 1.00 0.00 H new ATOM 549 N LEU A 32 -16.527 2.627 -5.783 1.00 0.00 N ATOM 550 CA LEU A 32 -16.859 3.656 -6.745 1.00 0.00 C ATOM 551 C LEU A 32 -17.768 3.083 -7.820 1.00 0.00 C ATOM 552 O LEU A 32 -18.850 3.602 -8.057 1.00 0.00 O ATOM 553 CB LEU A 32 -15.541 4.187 -7.299 1.00 0.00 C ATOM 554 CG LEU A 32 -15.657 5.342 -8.297 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.404 5.096 -9.609 1.00 0.00 C ATOM 556 CD2 LEU A 32 -16.223 6.588 -7.602 1.00 0.00 C ATOM 0 H LEU A 32 -15.529 2.423 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.411 4.480 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.922 4.514 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.014 3.365 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.626 5.479 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.399 6.008 -10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.913 4.296 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.433 4.809 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.301 7.403 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.211 6.363 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.560 6.884 -6.789 1.00 0.00 H new ATOM 568 N ALA A 33 -17.331 1.985 -8.426 1.00 0.00 N ATOM 569 CA ALA A 33 -18.071 1.255 -9.444 1.00 0.00 C ATOM 570 C ALA A 33 -19.406 0.697 -8.925 1.00 0.00 C ATOM 571 O ALA A 33 -20.244 0.276 -9.731 1.00 0.00 O ATOM 572 CB ALA A 33 -17.186 0.131 -9.983 1.00 0.00 C ATOM 0 H ALA A 33 -16.425 1.567 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.327 1.951 -10.243 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.729 -0.425 -10.748 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.281 0.557 -10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.916 -0.541 -9.169 1.00 0.00 H new ATOM 578 N MET A 34 -19.613 0.656 -7.605 1.00 0.00 N ATOM 579 CA MET A 34 -20.888 0.382 -6.986 1.00 0.00 C ATOM 580 C MET A 34 -21.684 1.669 -6.762 1.00 0.00 C ATOM 581 O MET A 34 -22.887 1.685 -7.026 1.00 0.00 O ATOM 582 CB MET A 34 -20.637 -0.363 -5.674 1.00 0.00 C ATOM 583 CG MET A 34 -20.338 -1.846 -5.911 1.00 0.00 C ATOM 584 SD MET A 34 -21.557 -2.945 -5.161 1.00 0.00 S ATOM 585 CE MET A 34 -22.998 -2.630 -6.218 1.00 0.00 C ATOM 0 H MET A 34 -18.867 0.819 -6.928 1.00 0.00 H new ATOM 0 HA MET A 34 -21.492 -0.241 -7.645 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.800 0.097 -5.149 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.510 -0.267 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.299 -2.035 -6.984 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.352 -2.080 -5.510 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.837 -3.238 -5.880 1.00 0.00 H new ATOM 0 HE2 MET A 34 -23.268 -1.576 -6.160 1.00 0.00 H new ATOM 0 HE3 MET A 34 -22.756 -2.887 -7.249 1.00 0.00 H new ATOM 595 N GLY A 35 -21.012 2.739 -6.340 1.00 0.00 N ATOM 596 CA GLY A 35 -21.498 4.099 -6.198 1.00 0.00 C ATOM 597 C GLY A 35 -21.297 4.677 -4.796 1.00 0.00 C ATOM 598 O GLY A 35 -22.056 5.560 -4.399 1.00 0.00 O ATOM 0 H GLY A 35 -20.032 2.664 -6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.988 4.736 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.560 4.124 -6.444 1.00 0.00 H new ATOM 602 N GLN A 36 -20.295 4.210 -4.040 1.00 0.00 N ATOM 603 CA GLN A 36 -20.218 4.347 -2.578 1.00 0.00 C ATOM 604 C GLN A 36 -18.991 5.143 -2.144 1.00 0.00 C ATOM 605 O GLN A 36 -18.889 5.595 -1.008 1.00 0.00 O ATOM 606 CB GLN A 36 -20.132 2.953 -1.926 1.00 0.00 C ATOM 607 CG GLN A 36 -21.041 1.892 -2.550 1.00 0.00 C ATOM 608 CD GLN A 36 -22.512 2.131 -2.213 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.051 3.207 -2.438 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.193 1.159 -1.642 1.00 0.00 N ATOM 0 H GLN A 36 -19.496 3.715 -4.436 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.116 4.876 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.101 2.605 -1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.380 3.047 -0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -20.912 1.894 -3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.743 0.905 -2.196 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.743 0.263 -1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.170 1.302 -1.387 1.00 0.00 H new ATOM 619 N LEU A 37 -18.001 5.223 -3.026 1.00 0.00 N ATOM 620 CA LEU A 37 -16.757 5.959 -2.837 1.00 0.00 C ATOM 621 C LEU A 37 -16.953 7.459 -2.541 1.00 0.00 C ATOM 622 O LEU A 37 -17.276 8.230 -3.444 1.00 0.00 O ATOM 623 CB LEU A 37 -15.939 5.729 -4.101 1.00 0.00 C ATOM 624 CG LEU A 37 -14.438 6.014 -4.039 1.00 0.00 C ATOM 625 CD1 LEU A 37 -14.032 7.421 -3.624 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.750 4.970 -3.172 1.00 0.00 C ATOM 0 H LEU A 37 -18.046 4.756 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.244 5.592 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.071 4.689 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.365 6.345 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.099 5.947 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.945 7.499 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.443 8.142 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.417 7.631 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.681 5.178 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.165 5.003 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.911 3.980 -3.598 1.00 0.00 H new ATOM 638 N LYS A 38 -16.668 7.881 -1.306 1.00 0.00 N ATOM 639 CA LYS A 38 -16.515 9.272 -0.849 1.00 0.00 C ATOM 640 C LYS A 38 -15.415 10.031 -1.607 1.00 0.00 C ATOM 641 O LYS A 38 -14.292 10.127 -1.111 1.00 0.00 O ATOM 642 CB LYS A 38 -16.253 9.318 0.677 1.00 0.00 C ATOM 643 CG LYS A 38 -15.308 8.203 1.163 1.00 0.00 C ATOM 644 CD LYS A 38 -14.717 8.424 2.558 1.00 0.00 C ATOM 645 CE LYS A 38 -13.758 7.257 2.833 1.00 0.00 C ATOM 646 NZ LYS A 38 -12.807 7.530 3.927 1.00 0.00 N ATOM 0 H LYS A 38 -16.528 7.217 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.455 9.779 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.826 10.287 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.203 9.236 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.852 7.258 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.490 8.103 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.189 9.376 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.506 8.459 3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.339 6.368 3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.201 7.032 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.188 6.705 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.229 8.360 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.332 7.717 4.805 1.00 0.00 H new ATOM 660 N ASN A 39 -15.758 10.609 -2.765 1.00 0.00 N ATOM 661 CA ASN A 39 -14.949 11.471 -3.640 1.00 0.00 C ATOM 662 C ASN A 39 -13.711 10.758 -4.180 1.00 0.00 C ATOM 663 O ASN A 39 -12.860 10.297 -3.427 1.00 0.00 O ATOM 664 CB ASN A 39 -14.488 12.771 -2.958 1.00 0.00 C ATOM 665 CG ASN A 39 -15.591 13.551 -2.262 1.00 0.00 C ATOM 666 OD1 ASN A 39 -15.814 13.365 -1.073 1.00 0.00 O ATOM 667 ND2 ASN A 39 -16.244 14.470 -2.948 1.00 0.00 N ATOM 0 H ASN A 39 -16.693 10.474 -3.149 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.621 11.721 -4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.717 12.528 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.025 13.413 -3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -16.951 15.043 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.041 14.607 -3.938 1.00 0.00 H new ATOM 674 N THR A 40 -13.528 10.691 -5.498 1.00 0.00 N ATOM 675 CA THR A 40 -12.425 9.933 -6.097 1.00 0.00 C ATOM 676 C THR A 40 -11.020 10.469 -5.715 1.00 0.00 C ATOM 677 O THR A 40 -10.026 9.766 -5.916 1.00 0.00 O ATOM 678 CB THR A 40 -12.653 9.813 -7.619 1.00 0.00 C ATOM 679 OG1 THR A 40 -14.040 9.847 -7.924 1.00 0.00 O ATOM 680 CG2 THR A 40 -12.113 8.487 -8.162 1.00 0.00 C ATOM 0 H THR A 40 -14.132 11.155 -6.177 1.00 0.00 H new ATOM 0 HA THR A 40 -12.432 8.929 -5.673 1.00 0.00 H new ATOM 0 HB THR A 40 -12.130 10.653 -8.077 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.164 9.771 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.290 8.435 -9.236 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.043 8.423 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.622 7.658 -7.670 1.00 0.00 H new ATOM 688 N SER A 41 -10.915 11.644 -5.076 1.00 0.00 N ATOM 689 CA SER A 41 -9.725 12.079 -4.342 1.00 0.00 C ATOM 690 C SER A 41 -9.227 11.006 -3.370 1.00 0.00 C ATOM 691 O SER A 41 -8.024 10.788 -3.255 1.00 0.00 O ATOM 692 CB SER A 41 -10.050 13.332 -3.525 1.00 0.00 C ATOM 693 OG SER A 41 -10.616 14.341 -4.332 1.00 0.00 O ATOM 0 H SER A 41 -11.671 12.329 -5.057 1.00 0.00 H new ATOM 0 HA SER A 41 -8.949 12.278 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.741 13.075 -2.722 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.141 13.707 -3.055 1.00 0.00 H new ATOM 0 HG SER A 41 -10.814 15.127 -3.782 1.00 0.00 H new ATOM 699 N LEU A 42 -10.143 10.309 -2.697 1.00 0.00 N ATOM 700 CA LEU A 42 -9.846 9.251 -1.747 1.00 0.00 C ATOM 701 C LEU A 42 -9.081 8.142 -2.458 1.00 0.00 C ATOM 702 O LEU A 42 -8.007 7.753 -2.002 1.00 0.00 O ATOM 703 CB LEU A 42 -11.174 8.786 -1.138 1.00 0.00 C ATOM 704 CG LEU A 42 -11.162 7.734 -0.007 1.00 0.00 C ATOM 705 CD1 LEU A 42 -11.875 6.471 -0.484 1.00 0.00 C ATOM 706 CD2 LEU A 42 -9.803 7.305 0.551 1.00 0.00 C ATOM 0 H LEU A 42 -11.143 10.475 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.206 9.592 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.687 9.670 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.784 8.388 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.661 8.249 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.868 5.727 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.905 6.712 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.361 6.072 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.950 6.564 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.202 6.872 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.288 8.173 0.963 1.00 0.00 H new ATOM 718 N ILE A 43 -9.567 7.690 -3.622 1.00 0.00 N ATOM 719 CA ILE A 43 -8.822 6.767 -4.472 1.00 0.00 C ATOM 720 C ILE A 43 -7.432 7.346 -4.744 1.00 0.00 C ATOM 721 O ILE A 43 -6.448 6.669 -4.468 1.00 0.00 O ATOM 722 CB ILE A 43 -9.617 6.380 -5.752 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.325 5.016 -5.568 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.763 6.361 -7.030 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.403 3.783 -5.560 1.00 0.00 C ATOM 0 H ILE A 43 -10.480 7.954 -3.993 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.681 5.819 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.360 7.166 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.880 5.039 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -11.056 4.896 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.386 6.083 -7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.339 7.351 -7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.957 5.636 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.001 2.882 -5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.866 3.724 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.688 3.869 -4.742 1.00 0.00 H new ATOM 737 N LYS A 44 -7.314 8.578 -5.244 1.00 0.00 N ATOM 738 CA LYS A 44 -6.044 9.177 -5.655 1.00 0.00 C ATOM 739 C LYS A 44 -5.022 9.210 -4.520 1.00 0.00 C ATOM 740 O LYS A 44 -3.846 8.893 -4.705 1.00 0.00 O ATOM 741 CB LYS A 44 -6.376 10.573 -6.195 1.00 0.00 C ATOM 742 CG LYS A 44 -5.171 11.369 -6.691 1.00 0.00 C ATOM 743 CD LYS A 44 -4.423 12.180 -5.618 1.00 0.00 C ATOM 744 CE LYS A 44 -2.973 11.707 -5.418 1.00 0.00 C ATOM 745 NZ LYS A 44 -2.033 12.849 -5.393 1.00 0.00 N ATOM 0 H LYS A 44 -8.113 9.198 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.566 8.575 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.089 10.471 -7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.872 11.143 -5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.467 10.678 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.506 12.053 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.421 13.233 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.959 12.104 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.896 11.149 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.697 11.024 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.064 12.498 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.091 13.366 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.283 13.487 -4.611 1.00 0.00 H new ATOM 759 N LEU A 45 -5.456 9.586 -3.326 1.00 0.00 N ATOM 760 CA LEU A 45 -4.662 9.668 -2.130 1.00 0.00 C ATOM 761 C LEU A 45 -4.268 8.269 -1.697 1.00 0.00 C ATOM 762 O LEU A 45 -3.176 8.074 -1.169 1.00 0.00 O ATOM 763 CB LEU A 45 -5.508 10.330 -1.054 1.00 0.00 C ATOM 764 CG LEU A 45 -5.507 11.869 -1.078 1.00 0.00 C ATOM 765 CD1 LEU A 45 -6.097 12.306 0.250 1.00 0.00 C ATOM 766 CD2 LEU A 45 -4.125 12.531 -1.208 1.00 0.00 C ATOM 0 H LEU A 45 -6.427 9.855 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.756 10.249 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.536 9.981 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.153 9.997 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.065 12.178 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.124 13.395 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.110 11.914 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.482 11.924 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.240 13.615 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.500 12.238 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.654 12.210 -2.137 1.00 0.00 H new ATOM 778 N THR A 46 -5.137 7.290 -1.917 1.00 0.00 N ATOM 779 CA THR A 46 -4.859 5.923 -1.548 1.00 0.00 C ATOM 780 C THR A 46 -3.842 5.366 -2.557 1.00 0.00 C ATOM 781 O THR A 46 -2.829 4.820 -2.137 1.00 0.00 O ATOM 782 CB THR A 46 -6.219 5.217 -1.408 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.934 5.857 -0.375 1.00 0.00 O ATOM 784 CG2 THR A 46 -6.139 3.761 -1.001 1.00 0.00 C ATOM 0 H THR A 46 -6.048 7.428 -2.355 1.00 0.00 H new ATOM 0 HA THR A 46 -4.372 5.775 -0.584 1.00 0.00 H new ATOM 0 HB THR A 46 -6.684 5.270 -2.393 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.310 6.698 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.145 3.348 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.572 3.205 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.642 3.680 -0.034 1.00 0.00 H new ATOM 792 N LYS A 47 -3.974 5.619 -3.867 1.00 0.00 N ATOM 793 CA LYS A 47 -3.009 5.215 -4.899 1.00 0.00 C ATOM 794 C LYS A 47 -1.596 5.660 -4.559 1.00 0.00 C ATOM 795 O LYS A 47 -0.683 4.847 -4.685 1.00 0.00 O ATOM 796 CB LYS A 47 -3.340 5.856 -6.267 1.00 0.00 C ATOM 797 CG LYS A 47 -4.644 5.442 -6.948 1.00 0.00 C ATOM 798 CD LYS A 47 -4.481 4.167 -7.784 1.00 0.00 C ATOM 799 CE LYS A 47 -3.919 4.536 -9.168 1.00 0.00 C ATOM 800 NZ LYS A 47 -3.882 3.391 -10.100 1.00 0.00 N ATOM 0 H LYS A 47 -4.775 6.123 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.074 4.128 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.359 6.938 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.520 5.633 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.412 5.283 -6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.991 6.253 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.810 3.471 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.442 3.663 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.527 5.330 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.911 4.934 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.495 3.700 -11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.280 2.641 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.845 3.025 -10.238 1.00 0.00 H new ATOM 814 N ARG A 48 -1.408 6.924 -4.158 1.00 0.00 N ATOM 815 CA ARG A 48 -0.076 7.484 -3.901 1.00 0.00 C ATOM 816 C ARG A 48 0.660 6.646 -2.860 1.00 0.00 C ATOM 817 O ARG A 48 1.865 6.420 -2.960 1.00 0.00 O ATOM 818 CB ARG A 48 -0.192 8.975 -3.520 1.00 0.00 C ATOM 819 CG ARG A 48 -0.218 9.274 -2.013 1.00 0.00 C ATOM 820 CD ARG A 48 -0.753 10.664 -1.662 1.00 0.00 C ATOM 821 NE ARG A 48 -0.864 10.812 -0.202 1.00 0.00 N ATOM 822 CZ ARG A 48 0.134 11.014 0.672 1.00 0.00 C ATOM 823 NH1 ARG A 48 1.385 11.213 0.251 1.00 0.00 N ATOM 824 NH2 ARG A 48 -0.147 11.039 1.970 1.00 0.00 N ATOM 0 H ARG A 48 -2.171 7.583 -4.003 1.00 0.00 H new ATOM 0 HA ARG A 48 0.526 7.442 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.646 9.512 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.101 9.377 -3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.832 8.524 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.792 9.174 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.088 11.429 -2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.728 10.814 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.804 10.755 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.593 11.213 -0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.133 11.365 0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.107 10.906 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.598 11.191 2.650 1.00 0.00 H new ATOM 838 N ASP A 49 -0.084 6.157 -1.874 1.00 0.00 N ATOM 839 CA ASP A 49 0.456 5.389 -0.782 1.00 0.00 C ATOM 840 C ASP A 49 0.468 3.931 -1.162 1.00 0.00 C ATOM 841 O ASP A 49 1.406 3.255 -0.768 1.00 0.00 O ATOM 842 CB ASP A 49 -0.391 5.629 0.471 1.00 0.00 C ATOM 843 CG ASP A 49 0.244 6.722 1.319 1.00 0.00 C ATOM 844 OD1 ASP A 49 0.332 7.867 0.861 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.778 6.387 2.413 1.00 0.00 O ATOM 0 H ASP A 49 -1.094 6.291 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 49 1.479 5.698 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.403 5.917 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.472 4.708 1.049 1.00 0.00 H new ATOM 850 N ILE A 50 -0.473 3.440 -1.975 1.00 0.00 N ATOM 851 CA ILE A 50 -0.425 2.063 -2.456 1.00 0.00 C ATOM 852 C ILE A 50 0.854 1.893 -3.213 1.00 0.00 C ATOM 853 O ILE A 50 1.602 0.982 -2.911 1.00 0.00 O ATOM 854 CB ILE A 50 -1.636 1.618 -3.320 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.600 0.877 -2.397 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.359 0.631 -4.478 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.440 1.872 -1.623 1.00 0.00 C ATOM 0 H ILE A 50 -1.273 3.977 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.475 1.415 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.997 2.541 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.245 0.221 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.042 0.244 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.292 0.407 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.654 1.080 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.936 -0.290 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.126 1.336 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.789 2.510 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.010 2.486 -2.320 1.00 0.00 H new ATOM 869 N ALA A 51 1.116 2.738 -4.198 1.00 0.00 N ATOM 870 CA ALA A 51 2.227 2.500 -5.077 1.00 0.00 C ATOM 871 C ALA A 51 3.561 2.652 -4.346 1.00 0.00 C ATOM 872 O ALA A 51 4.543 2.089 -4.813 1.00 0.00 O ATOM 873 CB ALA A 51 2.083 3.409 -6.287 1.00 0.00 C ATOM 0 H ALA A 51 0.577 3.580 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 51 2.222 1.468 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.918 3.244 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.147 3.187 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.080 4.449 -5.962 1.00 0.00 H new ATOM 879 N ARG A 52 3.585 3.334 -3.199 1.00 0.00 N ATOM 880 CA ARG A 52 4.713 3.430 -2.281 1.00 0.00 C ATOM 881 C ARG A 52 4.795 2.159 -1.433 1.00 0.00 C ATOM 882 O ARG A 52 5.787 1.435 -1.475 1.00 0.00 O ATOM 883 CB ARG A 52 4.488 4.740 -1.492 1.00 0.00 C ATOM 884 CG ARG A 52 5.554 5.243 -0.513 1.00 0.00 C ATOM 885 CD ARG A 52 5.707 4.431 0.771 1.00 0.00 C ATOM 886 NE ARG A 52 5.674 5.271 1.989 1.00 0.00 N ATOM 887 CZ ARG A 52 4.579 5.801 2.564 1.00 0.00 C ATOM 888 NH1 ARG A 52 3.391 5.688 1.980 1.00 0.00 N ATOM 889 NH2 ARG A 52 4.674 6.428 3.727 1.00 0.00 N ATOM 0 H ARG A 52 2.774 3.860 -2.872 1.00 0.00 H new ATOM 0 HA ARG A 52 5.686 3.485 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.320 5.532 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.562 4.623 -0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.515 5.260 -1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.318 6.273 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.909 3.691 0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.649 3.883 0.739 1.00 0.00 H new ATOM 0 HE ARG A 52 6.569 5.467 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.305 5.197 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.565 6.092 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.579 6.510 4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.842 6.829 4.160 1.00 0.00 H new ATOM 903 N ILE A 53 3.756 1.870 -0.659 1.00 0.00 N ATOM 904 CA ILE A 53 3.669 0.744 0.249 1.00 0.00 C ATOM 905 C ILE A 53 3.796 -0.580 -0.474 1.00 0.00 C ATOM 906 O ILE A 53 4.654 -1.379 -0.111 1.00 0.00 O ATOM 907 CB ILE A 53 2.407 0.920 1.119 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.584 2.141 2.046 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.190 -0.327 1.955 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.306 2.840 2.474 1.00 0.00 C ATOM 0 H ILE A 53 2.913 2.445 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 53 4.519 0.723 0.931 1.00 0.00 H new ATOM 0 HB ILE A 53 1.542 1.079 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.116 1.819 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.221 2.867 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.298 -0.202 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.061 -1.187 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.055 -0.489 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.551 3.681 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.777 3.203 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.671 2.138 3.015 1.00 0.00 H new ATOM 922 N LYS A 54 3.008 -0.821 -1.512 1.00 0.00 N ATOM 923 CA LYS A 54 3.081 -2.065 -2.252 1.00 0.00 C ATOM 924 C LYS A 54 4.515 -2.300 -2.760 1.00 0.00 C ATOM 925 O LYS A 54 4.976 -3.440 -2.767 1.00 0.00 O ATOM 926 CB LYS A 54 1.971 -2.127 -3.346 1.00 0.00 C ATOM 927 CG LYS A 54 2.349 -1.341 -4.638 1.00 0.00 C ATOM 928 CD LYS A 54 3.179 -2.164 -5.648 1.00 0.00 C ATOM 929 CE LYS A 54 2.319 -2.964 -6.628 1.00 0.00 C ATOM 930 NZ LYS A 54 3.102 -4.015 -7.307 1.00 0.00 N ATOM 0 H LYS A 54 2.308 -0.165 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 54 2.867 -2.907 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.779 -3.169 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.044 -1.723 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.435 -1.000 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.913 -0.451 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.827 -1.491 -6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.828 -2.849 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.485 -3.419 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.892 -2.291 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.487 -4.537 -7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.883 -3.578 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.489 -4.672 -6.599 1.00 0.00 H new ATOM 944 N THR A 55 5.218 -1.235 -3.162 1.00 0.00 N ATOM 945 CA THR A 55 6.571 -1.335 -3.675 1.00 0.00 C ATOM 946 C THR A 55 7.519 -1.873 -2.605 1.00 0.00 C ATOM 947 O THR A 55 8.291 -2.758 -2.940 1.00 0.00 O ATOM 948 CB THR A 55 6.978 0.030 -4.236 1.00 0.00 C ATOM 949 OG1 THR A 55 6.275 0.234 -5.445 1.00 0.00 O ATOM 950 CG2 THR A 55 8.469 0.232 -4.464 1.00 0.00 C ATOM 0 H THR A 55 4.856 -0.282 -3.137 1.00 0.00 H new ATOM 0 HA THR A 55 6.626 -2.056 -4.490 1.00 0.00 H new ATOM 0 HB THR A 55 6.719 0.764 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.752 1.060 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.644 1.231 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.000 0.120 -3.519 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.832 -0.510 -5.175 1.00 0.00 H new ATOM 958 N ILE A 56 7.466 -1.407 -1.348 1.00 0.00 N ATOM 959 CA ILE A 56 8.362 -1.869 -0.272 1.00 0.00 C ATOM 960 C ILE A 56 8.398 -3.391 -0.202 1.00 0.00 C ATOM 961 O ILE A 56 9.483 -3.960 -0.142 1.00 0.00 O ATOM 962 CB ILE A 56 7.956 -1.235 1.077 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.495 0.207 1.156 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.318 -2.047 2.342 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.910 0.348 1.729 1.00 0.00 C ATOM 0 H ILE A 56 6.799 -0.697 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 56 9.376 -1.540 -0.499 1.00 0.00 H new ATOM 0 HB ILE A 56 6.866 -1.235 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.482 0.637 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.813 0.799 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.986 -1.507 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.826 -3.019 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.398 -2.189 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.194 1.400 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.932 -0.046 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.611 -0.210 1.108 1.00 0.00 H new ATOM 977 N LEU A 57 7.230 -4.036 -0.224 1.00 0.00 N ATOM 978 CA LEU A 57 7.118 -5.490 -0.224 1.00 0.00 C ATOM 979 C LEU A 57 7.937 -6.055 -1.385 1.00 0.00 C ATOM 980 O LEU A 57 8.834 -6.868 -1.201 1.00 0.00 O ATOM 981 CB LEU A 57 5.630 -5.874 -0.248 1.00 0.00 C ATOM 982 CG LEU A 57 5.329 -7.333 -0.604 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.184 -8.322 0.179 1.00 0.00 C ATOM 984 CD2 LEU A 57 3.849 -7.607 -0.330 1.00 0.00 C ATOM 0 H LEU A 57 6.330 -3.557 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 57 7.534 -5.931 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.203 -5.662 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.119 -5.231 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 57 5.568 -7.475 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.926 -9.339 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.238 -8.139 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.001 -8.196 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.619 -8.643 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.635 -7.431 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.237 -6.943 -0.940 1.00 0.00 H new ATOM 996 N ARG A 58 7.687 -5.580 -2.593 1.00 0.00 N ATOM 997 CA ARG A 58 8.458 -5.940 -3.775 1.00 0.00 C ATOM 998 C ARG A 58 9.965 -5.754 -3.570 1.00 0.00 C ATOM 999 O ARG A 58 10.715 -6.676 -3.870 1.00 0.00 O ATOM 1000 CB ARG A 58 7.960 -5.160 -4.990 1.00 0.00 C ATOM 1001 CG ARG A 58 7.804 -6.089 -6.201 1.00 0.00 C ATOM 1002 CD ARG A 58 9.099 -6.802 -6.618 1.00 0.00 C ATOM 1003 NE ARG A 58 8.975 -7.341 -7.983 1.00 0.00 N ATOM 1004 CZ ARG A 58 8.827 -8.615 -8.359 1.00 0.00 C ATOM 1005 NH1 ARG A 58 8.694 -9.599 -7.483 1.00 0.00 N ATOM 1006 NH2 ARG A 58 8.829 -8.897 -9.654 1.00 0.00 N ATOM 0 H ARG A 58 6.931 -4.923 -2.785 1.00 0.00 H new ATOM 0 HA ARG A 58 8.303 -7.004 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.004 -4.690 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.660 -4.359 -5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.046 -6.839 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.434 -5.508 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.936 -6.105 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.317 -7.610 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 58 9.006 -6.655 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.702 -9.396 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.583 -10.559 -7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.942 -8.149 -10.339 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.718 -9.862 -9.966 1.00 0.00 H new ATOM 1020 N GLU A 59 10.405 -4.604 -3.057 1.00 0.00 N ATOM 1021 CA GLU A 59 11.817 -4.328 -2.743 1.00 0.00 C ATOM 1022 C GLU A 59 12.384 -5.355 -1.759 1.00 0.00 C ATOM 1023 O GLU A 59 13.574 -5.657 -1.797 1.00 0.00 O ATOM 1024 CB GLU A 59 12.034 -2.929 -2.132 1.00 0.00 C ATOM 1025 CG GLU A 59 11.381 -1.775 -2.881 1.00 0.00 C ATOM 1026 CD GLU A 59 12.064 -0.396 -2.754 1.00 0.00 C ATOM 1027 OE1 GLU A 59 13.265 -0.259 -2.403 1.00 0.00 O ATOM 1028 OE2 GLU A 59 11.398 0.621 -3.037 1.00 0.00 O ATOM 0 H GLU A 59 9.785 -3.823 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 59 12.336 -4.385 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.655 -2.936 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.106 -2.740 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.335 -2.037 -3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.353 -1.680 -2.532 1.00 0.00 H new ATOM 1035 N ARG A 60 11.536 -5.874 -0.873 1.00 0.00 N ATOM 1036 CA ARG A 60 11.896 -6.945 0.063 1.00 0.00 C ATOM 1037 C ARG A 60 12.120 -8.259 -0.657 1.00 0.00 C ATOM 1038 O ARG A 60 12.978 -9.024 -0.218 1.00 0.00 O ATOM 1039 CB ARG A 60 10.881 -7.154 1.208 1.00 0.00 C ATOM 1040 CG ARG A 60 10.616 -5.924 2.098 1.00 0.00 C ATOM 1041 CD ARG A 60 10.848 -6.232 3.587 1.00 0.00 C ATOM 1042 NE ARG A 60 12.278 -6.454 3.859 1.00 0.00 N ATOM 1043 CZ ARG A 60 12.964 -6.095 4.942 1.00 0.00 C ATOM 1044 NH1 ARG A 60 12.360 -5.618 6.019 1.00 0.00 N ATOM 1045 NH2 ARG A 60 14.279 -6.183 4.891 1.00 0.00 N ATOM 0 H ARG A 60 10.569 -5.562 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 60 12.826 -6.609 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.934 -7.477 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.237 -7.967 1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.268 -5.106 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.590 -5.585 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.482 -5.405 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.277 -7.115 3.873 1.00 0.00 H new ATOM 0 HE ARG A 60 12.805 -6.940 3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.345 -5.518 6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.910 -5.350 6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.735 -6.517 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.840 -5.917 5.701 1.00 0.00 H new ATOM 1059 N GLU A 61 11.379 -8.526 -1.727 1.00 0.00 N ATOM 1060 CA GLU A 61 11.486 -9.761 -2.488 1.00 0.00 C ATOM 1061 C GLU A 61 12.870 -9.848 -3.129 1.00 0.00 C ATOM 1062 O GLU A 61 13.598 -10.802 -2.834 1.00 0.00 O ATOM 1063 CB GLU A 61 10.387 -9.925 -3.554 1.00 0.00 C ATOM 1064 CG GLU A 61 8.958 -9.725 -3.061 1.00 0.00 C ATOM 1065 CD GLU A 61 7.945 -10.289 -4.051 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.543 -9.545 -4.977 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.587 -11.489 -3.920 1.00 0.00 O ATOM 0 H GLU A 61 10.679 -7.881 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 61 11.344 -10.581 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.578 -9.215 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.468 -10.924 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.834 -10.212 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.769 -8.662 -2.910 1.00 0.00 H new ATOM 1074 N LEU A 62 13.242 -8.903 -4.011 1.00 0.00 N ATOM 1075 CA LEU A 62 14.560 -8.891 -4.628 1.00 0.00 C ATOM 1076 C LEU A 62 15.563 -8.386 -3.579 1.00 0.00 C ATOM 1077 O LEU A 62 15.172 -7.968 -2.493 1.00 0.00 O ATOM 1078 CB LEU A 62 14.617 -8.054 -5.922 1.00 0.00 C ATOM 1079 CG LEU A 62 13.336 -7.562 -6.617 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.222 -8.591 -6.788 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.903 -6.222 -6.023 1.00 0.00 C ATOM 0 H LEU A 62 12.637 -8.137 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 62 14.813 -9.904 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.217 -7.171 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.170 -8.641 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 62 13.595 -7.394 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.372 -8.128 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.586 -9.425 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.910 -8.956 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.995 -5.880 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.710 -6.342 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.695 -5.487 -6.168 1.00 0.00 H new ATOM 1093 N GLY A 63 16.857 -8.346 -3.883 1.00 0.00 N ATOM 1094 CA GLY A 63 17.886 -8.026 -2.898 1.00 0.00 C ATOM 1095 C GLY A 63 17.962 -6.563 -2.435 1.00 0.00 C ATOM 1096 O GLY A 63 19.010 -6.166 -1.918 1.00 0.00 O ATOM 0 H GLY A 63 17.222 -8.534 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.725 -8.653 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.855 -8.303 -3.315 1.00 0.00 H new ATOM 1100 N ILE A 64 16.936 -5.732 -2.647 1.00 0.00 N ATOM 1101 CA ILE A 64 16.992 -4.291 -2.511 1.00 0.00 C ATOM 1102 C ILE A 64 16.946 -3.839 -1.058 1.00 0.00 C ATOM 1103 O ILE A 64 17.557 -2.833 -0.678 1.00 0.00 O ATOM 1104 CB ILE A 64 15.824 -3.684 -3.312 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.677 -4.245 -4.736 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.918 -2.165 -3.374 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.924 -4.166 -5.617 1.00 0.00 C ATOM 0 H ILE A 64 16.014 -6.067 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 64 17.946 -3.940 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 64 14.931 -3.978 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.372 -5.289 -4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.869 -3.710 -5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.078 -1.772 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.891 -1.757 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.852 -1.878 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.705 -4.590 -6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 64 17.224 -3.124 -5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.734 -4.728 -5.152 1.00 0.00 H new