USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 29 SER OG : rot 24:sc= 0.135 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 61:sc= -0.0775 USER MOD Single : A 40 TYR OH : rot 5:sc= 0.451 USER MOD Single : A 43 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.082) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= 1.08 (180deg=0.331) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 74:sc= 0.323 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.6!) USER MOD Single : A 62 MET CE :methyl 133:sc= -0.376 (180deg=-0.876) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.04) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 73:sc= 0.891 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 92:sc= 0.057 USER MOD Single : A 80 SER OG : rot 62:sc= 1.14 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS :FLIP no HD1:sc= 0.0991 F(o=-1.5,f=0.099) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.129 USER MOD Single : A 102 SER OG : rot 180:sc= 0.03 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0381 USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 29 12.412 11.758 -1.747 1.00 10.00 N ATOM 38 CA SER A 29 13.499 11.479 -0.828 1.00 10.00 C ATOM 39 C SER A 29 14.144 10.142 -1.174 1.00 10.00 C ATOM 40 O SER A 29 13.452 9.152 -1.408 1.00 10.00 O ATOM 41 CB SER A 29 12.982 11.460 0.607 1.00 10.00 C ATOM 42 OG SER A 29 12.292 12.663 0.910 1.00 10.00 O ATOM 0 HA SER A 29 14.249 12.265 -0.918 1.00 10.00 H new ATOM 0 HB2 SER A 29 12.316 10.608 0.747 1.00 10.00 H new ATOM 0 HB3 SER A 29 13.816 11.330 1.297 1.00 10.00 H new ATOM 0 HG SER A 29 11.965 13.070 0.081 1.00 10.00 H new ATOM 48 N SER A 30 15.465 10.121 -1.211 1.00 10.00 N ATOM 49 CA SER A 30 16.195 8.908 -1.536 1.00 10.00 C ATOM 50 C SER A 30 16.820 8.296 -0.287 1.00 10.00 C ATOM 51 O SER A 30 17.383 9.005 0.551 1.00 10.00 O ATOM 52 CB SER A 30 17.267 9.216 -2.575 1.00 10.00 C ATOM 53 OG SER A 30 16.731 9.996 -3.633 1.00 10.00 O ATOM 0 H SER A 30 16.055 10.931 -1.020 1.00 10.00 H new ATOM 0 HA SER A 30 15.496 8.181 -1.949 1.00 10.00 H new ATOM 0 HB2 SER A 30 18.093 9.750 -2.105 1.00 10.00 H new ATOM 0 HB3 SER A 30 17.674 8.286 -2.972 1.00 10.00 H new ATOM 0 HG SER A 30 17.434 10.185 -4.289 1.00 10.00 H new ATOM 59 N GLY A 31 16.701 6.983 -0.161 1.00 10.00 N ATOM 60 CA GLY A 31 17.258 6.300 0.983 1.00 10.00 C ATOM 61 C GLY A 31 16.196 5.906 1.987 1.00 10.00 C ATOM 62 O GLY A 31 15.666 6.755 2.710 1.00 10.00 O ATOM 0 H GLY A 31 16.227 6.379 -0.833 1.00 10.00 H new ATOM 0 HA2 GLY A 31 17.788 5.408 0.649 1.00 10.00 H new ATOM 0 HA3 GLY A 31 17.992 6.945 1.467 1.00 10.00 H new ATOM 66 N VAL A 32 15.872 4.621 2.022 1.00 10.00 N ATOM 67 CA VAL A 32 14.873 4.110 2.947 1.00 10.00 C ATOM 68 C VAL A 32 15.518 3.152 3.937 1.00 10.00 C ATOM 69 O VAL A 32 16.643 2.692 3.726 1.00 10.00 O ATOM 70 CB VAL A 32 13.713 3.394 2.215 1.00 10.00 C ATOM 71 CG1 VAL A 32 12.875 4.391 1.432 1.00 10.00 C ATOM 72 CG2 VAL A 32 14.239 2.304 1.296 1.00 10.00 C ATOM 0 H VAL A 32 16.288 3.912 1.418 1.00 10.00 H new ATOM 0 HA VAL A 32 14.456 4.966 3.477 1.00 10.00 H new ATOM 0 HB VAL A 32 13.079 2.926 2.968 1.00 10.00 H new ATOM 0 HG11 VAL A 32 12.065 3.867 0.925 1.00 10.00 H new ATOM 0 HG12 VAL A 32 12.457 5.131 2.115 1.00 10.00 H new ATOM 0 HG13 VAL A 32 13.501 4.892 0.694 1.00 10.00 H new ATOM 0 HG21 VAL A 32 13.403 1.817 0.794 1.00 10.00 H new ATOM 0 HG22 VAL A 32 14.903 2.744 0.552 1.00 10.00 H new ATOM 0 HG23 VAL A 32 14.789 1.568 1.882 1.00 10.00 H new ATOM 82 N HIS A 33 14.812 2.859 5.016 1.00 10.00 N ATOM 83 CA HIS A 33 15.331 1.957 6.038 1.00 10.00 C ATOM 84 C HIS A 33 14.660 0.594 5.937 1.00 10.00 C ATOM 85 O HIS A 33 13.872 0.351 5.026 1.00 10.00 O ATOM 86 CB HIS A 33 15.119 2.545 7.437 1.00 10.00 C ATOM 87 CG HIS A 33 15.910 3.797 7.689 1.00 10.00 C ATOM 88 ND1 HIS A 33 17.098 3.763 8.383 1.00 10.00 N ATOM 89 CD2 HIS A 33 15.656 5.076 7.310 1.00 10.00 C ATOM 90 CE1 HIS A 33 17.540 5.009 8.405 1.00 10.00 C ATOM 91 NE2 HIS A 33 16.701 5.836 7.770 1.00 10.00 N ATOM 0 H HIS A 33 13.881 3.229 5.209 1.00 10.00 H new ATOM 0 HA HIS A 33 16.401 1.835 5.871 1.00 10.00 H new ATOM 0 HB2 HIS A 33 14.059 2.761 7.575 1.00 10.00 H new ATOM 0 HB3 HIS A 33 15.391 1.797 8.182 1.00 10.00 H new ATOM 0 HD2 HIS A 33 14.799 5.426 6.755 1.00 10.00 H new ATOM 0 HE1 HIS A 33 18.461 5.320 8.876 1.00 10.00 H new ATOM 0 HE2 HIS A 33 16.817 6.842 7.651 1.00 10.00 H new ATOM 99 N VAL A 34 14.977 -0.300 6.865 1.00 10.00 N ATOM 100 CA VAL A 34 14.389 -1.635 6.869 1.00 10.00 C ATOM 101 C VAL A 34 12.987 -1.610 7.473 1.00 10.00 C ATOM 102 O VAL A 34 12.285 -2.622 7.498 1.00 10.00 O ATOM 103 CB VAL A 34 15.260 -2.638 7.650 1.00 10.00 C ATOM 104 CG1 VAL A 34 16.606 -2.816 6.965 1.00 10.00 C ATOM 105 CG2 VAL A 34 15.440 -2.191 9.095 1.00 10.00 C ATOM 0 H VAL A 34 15.637 -0.126 7.623 1.00 10.00 H new ATOM 0 HA VAL A 34 14.331 -1.959 5.830 1.00 10.00 H new ATOM 0 HB VAL A 34 14.750 -3.601 7.660 1.00 10.00 H new ATOM 0 HG11 VAL A 34 17.210 -3.527 7.529 1.00 10.00 H new ATOM 0 HG12 VAL A 34 16.453 -3.192 5.953 1.00 10.00 H new ATOM 0 HG13 VAL A 34 17.122 -1.857 6.921 1.00 10.00 H new ATOM 0 HG21 VAL A 34 16.058 -2.915 9.626 1.00 10.00 H new ATOM 0 HG22 VAL A 34 15.925 -1.215 9.116 1.00 10.00 H new ATOM 0 HG23 VAL A 34 14.466 -2.122 9.579 1.00 10.00 H new ATOM 115 N GLU A 35 12.591 -0.442 7.955 1.00 10.00 N ATOM 116 CA GLU A 35 11.282 -0.257 8.560 1.00 10.00 C ATOM 117 C GLU A 35 10.395 0.596 7.656 1.00 10.00 C ATOM 118 O GLU A 35 9.450 1.242 8.118 1.00 10.00 O ATOM 119 CB GLU A 35 11.441 0.411 9.921 1.00 10.00 C ATOM 120 CG GLU A 35 10.581 -0.213 10.998 1.00 10.00 C ATOM 121 CD GLU A 35 11.142 -1.526 11.498 1.00 10.00 C ATOM 122 OE1 GLU A 35 12.099 -1.499 12.299 1.00 10.00 O ATOM 123 OE2 GLU A 35 10.624 -2.594 11.095 1.00 10.00 O ATOM 0 H GLU A 35 13.165 0.401 7.938 1.00 10.00 H new ATOM 0 HA GLU A 35 10.808 -1.230 8.689 1.00 10.00 H new ATOM 0 HB2 GLU A 35 12.487 0.358 10.224 1.00 10.00 H new ATOM 0 HB3 GLU A 35 11.189 1.468 9.831 1.00 10.00 H new ATOM 0 HG2 GLU A 35 10.490 0.481 11.833 1.00 10.00 H new ATOM 0 HG3 GLU A 35 9.576 -0.376 10.608 1.00 10.00 H new ATOM 130 N ASP A 36 10.689 0.568 6.363 1.00 10.00 N ATOM 131 CA ASP A 36 9.944 1.355 5.379 1.00 10.00 C ATOM 132 C ASP A 36 8.514 0.841 5.224 1.00 10.00 C ATOM 133 O ASP A 36 7.606 1.602 4.884 1.00 10.00 O ATOM 134 CB ASP A 36 10.666 1.361 4.019 1.00 10.00 C ATOM 135 CG ASP A 36 10.851 -0.027 3.420 1.00 10.00 C ATOM 136 OD1 ASP A 36 11.125 -0.982 4.182 1.00 10.00 O ATOM 137 OD2 ASP A 36 10.754 -0.160 2.183 1.00 10.00 O ATOM 0 H ASP A 36 11.442 0.006 5.966 1.00 10.00 H new ATOM 0 HA ASP A 36 9.895 2.380 5.747 1.00 10.00 H new ATOM 0 HB2 ASP A 36 10.100 1.977 3.320 1.00 10.00 H new ATOM 0 HB3 ASP A 36 11.643 1.829 4.138 1.00 10.00 H new ATOM 142 N ALA A 37 8.319 -0.441 5.510 1.00 10.00 N ATOM 143 CA ALA A 37 7.005 -1.073 5.410 1.00 10.00 C ATOM 144 C ALA A 37 5.928 -0.320 6.199 1.00 10.00 C ATOM 145 O ALA A 37 4.876 0.021 5.661 1.00 10.00 O ATOM 146 CB ALA A 37 7.091 -2.513 5.887 1.00 10.00 C ATOM 0 H ALA A 37 9.061 -1.070 5.816 1.00 10.00 H new ATOM 0 HA ALA A 37 6.709 -1.045 4.361 1.00 10.00 H new ATOM 0 HB1 ALA A 37 6.109 -2.981 5.811 1.00 10.00 H new ATOM 0 HB2 ALA A 37 7.802 -3.060 5.268 1.00 10.00 H new ATOM 0 HB3 ALA A 37 7.423 -2.533 6.925 1.00 10.00 H new ATOM 152 N LEU A 38 6.195 -0.036 7.468 1.00 10.00 N ATOM 153 CA LEU A 38 5.217 0.654 8.305 1.00 10.00 C ATOM 154 C LEU A 38 5.228 2.160 8.067 1.00 10.00 C ATOM 155 O LEU A 38 4.446 2.896 8.668 1.00 10.00 O ATOM 156 CB LEU A 38 5.433 0.342 9.796 1.00 10.00 C ATOM 157 CG LEU A 38 6.888 0.317 10.285 1.00 10.00 C ATOM 158 CD1 LEU A 38 7.366 1.716 10.659 1.00 10.00 C ATOM 159 CD2 LEU A 38 7.015 -0.619 11.477 1.00 10.00 C ATOM 0 H LEU A 38 7.070 -0.269 7.938 1.00 10.00 H new ATOM 0 HA LEU A 38 4.235 0.279 8.017 1.00 10.00 H new ATOM 0 HB2 LEU A 38 4.888 1.082 10.382 1.00 10.00 H new ATOM 0 HB3 LEU A 38 4.984 -0.628 10.011 1.00 10.00 H new ATOM 0 HG LEU A 38 7.518 -0.047 9.473 1.00 10.00 H new ATOM 0 HD11 LEU A 38 8.400 1.668 11.002 1.00 10.00 H new ATOM 0 HD12 LEU A 38 7.303 2.367 9.787 1.00 10.00 H new ATOM 0 HD13 LEU A 38 6.738 2.114 11.456 1.00 10.00 H new ATOM 0 HD21 LEU A 38 8.050 -0.633 11.820 1.00 10.00 H new ATOM 0 HD22 LEU A 38 6.370 -0.271 12.284 1.00 10.00 H new ATOM 0 HD23 LEU A 38 6.717 -1.625 11.183 1.00 10.00 H new ATOM 171 N THR A 39 6.101 2.617 7.183 1.00 10.00 N ATOM 172 CA THR A 39 6.191 4.034 6.873 1.00 10.00 C ATOM 173 C THR A 39 5.154 4.417 5.814 1.00 10.00 C ATOM 174 O THR A 39 4.574 5.503 5.859 1.00 10.00 O ATOM 175 CB THR A 39 7.607 4.418 6.383 1.00 10.00 C ATOM 176 OG1 THR A 39 8.605 3.798 7.208 1.00 10.00 O ATOM 177 CG2 THR A 39 7.800 5.926 6.409 1.00 10.00 C ATOM 0 H THR A 39 6.756 2.028 6.669 1.00 10.00 H new ATOM 0 HA THR A 39 5.988 4.584 7.792 1.00 10.00 H new ATOM 0 HB THR A 39 7.712 4.066 5.357 1.00 10.00 H new ATOM 0 HG1 THR A 39 8.511 2.824 7.159 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.803 6.170 6.060 1.00 10.00 H new ATOM 0 HG22 THR A 39 7.064 6.398 5.758 1.00 10.00 H new ATOM 0 HG23 THR A 39 7.671 6.292 7.428 1.00 10.00 H new ATOM 185 N TYR A 40 4.896 3.503 4.883 1.00 10.00 N ATOM 186 CA TYR A 40 3.941 3.753 3.807 1.00 10.00 C ATOM 187 C TYR A 40 2.507 3.783 4.336 1.00 10.00 C ATOM 188 O TYR A 40 1.620 4.373 3.717 1.00 10.00 O ATOM 189 CB TYR A 40 4.082 2.674 2.726 1.00 10.00 C ATOM 190 CG TYR A 40 3.729 3.143 1.336 1.00 10.00 C ATOM 191 CD1 TYR A 40 2.765 2.483 0.588 1.00 10.00 C ATOM 192 CD2 TYR A 40 4.366 4.238 0.773 1.00 10.00 C ATOM 193 CE1 TYR A 40 2.444 2.903 -0.685 1.00 10.00 C ATOM 194 CE2 TYR A 40 4.048 4.666 -0.501 1.00 10.00 C ATOM 195 CZ TYR A 40 3.089 3.994 -1.225 1.00 10.00 C ATOM 196 OH TYR A 40 2.771 4.415 -2.493 1.00 10.00 O ATOM 0 H TYR A 40 5.335 2.583 4.852 1.00 10.00 H new ATOM 0 HA TYR A 40 4.160 4.729 3.375 1.00 10.00 H new ATOM 0 HB2 TYR A 40 5.109 2.309 2.724 1.00 10.00 H new ATOM 0 HB3 TYR A 40 3.444 1.829 2.986 1.00 10.00 H new ATOM 0 HD1 TYR A 40 2.258 1.627 1.009 1.00 10.00 H new ATOM 0 HD2 TYR A 40 5.121 4.764 1.338 1.00 10.00 H new ATOM 0 HE1 TYR A 40 1.691 2.380 -1.256 1.00 10.00 H new ATOM 0 HE2 TYR A 40 4.549 5.523 -0.927 1.00 10.00 H new ATOM 0 HH TYR A 40 2.019 3.887 -2.834 1.00 10.00 H new ATOM 206 N LEU A 41 2.294 3.162 5.491 1.00 10.00 N ATOM 207 CA LEU A 41 0.967 3.107 6.102 1.00 10.00 C ATOM 208 C LEU A 41 0.460 4.512 6.427 1.00 10.00 C ATOM 209 O LEU A 41 -0.672 4.864 6.097 1.00 10.00 O ATOM 210 CB LEU A 41 1.003 2.256 7.380 1.00 10.00 C ATOM 211 CG LEU A 41 -0.018 1.109 7.448 1.00 10.00 C ATOM 212 CD1 LEU A 41 -1.444 1.646 7.433 1.00 10.00 C ATOM 213 CD2 LEU A 41 0.201 0.128 6.303 1.00 10.00 C ATOM 0 H LEU A 41 3.023 2.689 6.025 1.00 10.00 H new ATOM 0 HA LEU A 41 0.284 2.648 5.388 1.00 10.00 H new ATOM 0 HB2 LEU A 41 2.003 1.834 7.485 1.00 10.00 H new ATOM 0 HB3 LEU A 41 0.842 2.912 8.236 1.00 10.00 H new ATOM 0 HG LEU A 41 0.131 0.578 8.388 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -2.147 0.814 7.482 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -1.596 2.300 8.292 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -1.611 2.209 6.515 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -0.531 -0.677 6.368 1.00 10.00 H new ATOM 0 HD22 LEU A 41 0.085 0.647 5.352 1.00 10.00 H new ATOM 0 HD23 LEU A 41 1.206 -0.290 6.369 1.00 10.00 H new ATOM 225 N ASP A 42 1.322 5.313 7.049 1.00 10.00 N ATOM 226 CA ASP A 42 0.973 6.685 7.434 1.00 10.00 C ATOM 227 C ASP A 42 0.711 7.540 6.197 1.00 10.00 C ATOM 228 O ASP A 42 -0.180 8.390 6.194 1.00 10.00 O ATOM 229 CB ASP A 42 2.092 7.302 8.283 1.00 10.00 C ATOM 230 CG ASP A 42 1.713 8.651 8.872 1.00 10.00 C ATOM 231 OD1 ASP A 42 0.527 8.860 9.208 1.00 10.00 O ATOM 232 OD2 ASP A 42 2.615 9.502 9.034 1.00 10.00 O ATOM 0 H ASP A 42 2.272 5.037 7.299 1.00 10.00 H new ATOM 0 HA ASP A 42 0.061 6.654 8.030 1.00 10.00 H new ATOM 0 HB2 ASP A 42 2.347 6.617 9.092 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.985 7.417 7.669 1.00 10.00 H new ATOM 237 N GLN A 43 1.471 7.283 5.137 1.00 10.00 N ATOM 238 CA GLN A 43 1.323 8.022 3.882 1.00 10.00 C ATOM 239 C GLN A 43 -0.097 7.884 3.334 1.00 10.00 C ATOM 240 O GLN A 43 -0.737 8.876 2.972 1.00 10.00 O ATOM 241 CB GLN A 43 2.324 7.511 2.846 1.00 10.00 C ATOM 242 CG GLN A 43 3.775 7.694 3.256 1.00 10.00 C ATOM 243 CD GLN A 43 4.188 9.148 3.287 1.00 10.00 C ATOM 244 OE1 GLN A 43 4.036 9.828 4.300 1.00 10.00 O ATOM 245 NE2 GLN A 43 4.718 9.633 2.179 1.00 10.00 N ATOM 0 H GLN A 43 2.198 6.568 5.120 1.00 10.00 H new ATOM 0 HA GLN A 43 1.519 9.075 4.085 1.00 10.00 H new ATOM 0 HB2 GLN A 43 2.138 6.452 2.665 1.00 10.00 H new ATOM 0 HB3 GLN A 43 2.154 8.030 1.903 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.929 7.255 4.242 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.417 7.152 2.561 1.00 10.00 H new ATOM 0 HE21 GLN A 43 4.826 9.034 1.361 1.00 10.00 H new ATOM 0 HE22 GLN A 43 5.019 10.607 2.142 1.00 10.00 H new ATOM 254 N VAL A 44 -0.579 6.646 3.290 1.00 10.00 N ATOM 255 CA VAL A 44 -1.921 6.347 2.803 1.00 10.00 C ATOM 256 C VAL A 44 -2.975 6.984 3.709 1.00 10.00 C ATOM 257 O VAL A 44 -4.015 7.467 3.249 1.00 10.00 O ATOM 258 CB VAL A 44 -2.141 4.817 2.726 1.00 10.00 C ATOM 259 CG1 VAL A 44 -3.549 4.489 2.259 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.117 4.174 1.802 1.00 10.00 C ATOM 0 H VAL A 44 -0.053 5.825 3.590 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.022 6.766 1.802 1.00 10.00 H new ATOM 0 HB VAL A 44 -2.011 4.411 3.729 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -3.675 3.407 2.214 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.272 4.910 2.958 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.712 4.914 1.269 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -1.288 3.098 1.761 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.215 4.595 0.801 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.113 4.367 2.181 1.00 10.00 H new ATOM 270 N LYS A 45 -2.679 7.004 4.995 1.00 10.00 N ATOM 271 CA LYS A 45 -3.565 7.577 5.991 1.00 10.00 C ATOM 272 C LYS A 45 -3.671 9.095 5.831 1.00 10.00 C ATOM 273 O LYS A 45 -4.737 9.675 6.042 1.00 10.00 O ATOM 274 CB LYS A 45 -3.053 7.198 7.385 1.00 10.00 C ATOM 275 CG LYS A 45 -3.390 8.184 8.493 1.00 10.00 C ATOM 276 CD LYS A 45 -2.751 7.756 9.808 1.00 10.00 C ATOM 277 CE LYS A 45 -2.577 8.931 10.760 1.00 10.00 C ATOM 278 NZ LYS A 45 -1.678 9.974 10.198 1.00 10.00 N ATOM 0 H LYS A 45 -1.815 6.622 5.379 1.00 10.00 H new ATOM 0 HA LYS A 45 -4.569 7.176 5.855 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -3.463 6.224 7.652 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -1.970 7.086 7.338 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -3.040 9.179 8.220 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -4.471 8.249 8.613 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -3.369 6.993 10.281 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -1.780 7.302 9.610 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -3.551 9.370 10.976 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -2.171 8.574 11.706 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.197 10.473 10.974 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -0.969 9.526 9.582 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.238 10.653 9.644 1.00 10.00 H new ATOM 292 N ILE A 46 -2.566 9.734 5.454 1.00 10.00 N ATOM 293 CA ILE A 46 -2.548 11.180 5.265 1.00 10.00 C ATOM 294 C ILE A 46 -3.203 11.575 3.942 1.00 10.00 C ATOM 295 O ILE A 46 -3.983 12.527 3.886 1.00 10.00 O ATOM 296 CB ILE A 46 -1.107 11.737 5.305 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.470 11.474 6.673 1.00 10.00 C ATOM 298 CG2 ILE A 46 -1.095 13.230 4.995 1.00 10.00 C ATOM 299 CD1 ILE A 46 1.016 11.763 6.728 1.00 10.00 C ATOM 0 H ILE A 46 -1.674 9.273 5.274 1.00 10.00 H new ATOM 0 HA ILE A 46 -3.118 11.612 6.088 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.522 11.223 4.542 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -0.976 12.084 7.421 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.637 10.432 6.946 1.00 10.00 H new ATOM 0 HG21 ILE A 46 -0.070 13.600 5.029 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.509 13.399 4.001 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.697 13.760 5.733 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.391 11.552 7.729 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.536 11.134 6.006 1.00 10.00 H new ATOM 0 HD13 ILE A 46 1.192 12.812 6.489 1.00 10.00 H new ATOM 311 N ARG A 47 -2.891 10.835 2.884 1.00 10.00 N ATOM 312 CA ARG A 47 -3.442 11.113 1.558 1.00 10.00 C ATOM 313 C ARG A 47 -4.967 11.066 1.571 1.00 10.00 C ATOM 314 O ARG A 47 -5.625 11.863 0.899 1.00 10.00 O ATOM 315 CB ARG A 47 -2.893 10.120 0.531 1.00 10.00 C ATOM 316 CG ARG A 47 -1.581 10.560 -0.104 1.00 10.00 C ATOM 317 CD ARG A 47 -1.815 11.555 -1.231 1.00 10.00 C ATOM 318 NE ARG A 47 -0.568 12.163 -1.700 1.00 10.00 N ATOM 319 CZ ARG A 47 -0.501 13.168 -2.581 1.00 10.00 C ATOM 320 NH1 ARG A 47 -1.606 13.691 -3.094 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.680 13.648 -2.949 1.00 10.00 N ATOM 0 H ARG A 47 -2.258 10.036 2.917 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.136 12.120 1.275 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.747 9.154 1.015 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.635 9.974 -0.254 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.941 11.011 0.655 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.052 9.689 -0.490 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.306 11.050 -2.063 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.492 12.337 -0.888 1.00 10.00 H new ATOM 0 HE ARG A 47 0.309 11.796 -1.330 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.518 13.328 -2.818 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.544 14.457 -3.765 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.535 13.251 -2.560 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.732 14.414 -3.620 1.00 10.00 H new ATOM 335 N PHE A 48 -5.527 10.147 2.348 1.00 10.00 N ATOM 336 CA PHE A 48 -6.980 10.015 2.455 1.00 10.00 C ATOM 337 C PHE A 48 -7.441 10.445 3.841 1.00 10.00 C ATOM 338 O PHE A 48 -8.202 9.742 4.511 1.00 10.00 O ATOM 339 CB PHE A 48 -7.412 8.573 2.193 1.00 10.00 C ATOM 340 CG PHE A 48 -7.054 8.080 0.824 1.00 10.00 C ATOM 341 CD1 PHE A 48 -7.866 8.369 -0.259 1.00 10.00 C ATOM 342 CD2 PHE A 48 -5.905 7.336 0.617 1.00 10.00 C ATOM 343 CE1 PHE A 48 -7.540 7.925 -1.523 1.00 10.00 C ATOM 344 CE2 PHE A 48 -5.575 6.890 -0.645 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.393 7.185 -1.716 1.00 10.00 C ATOM 0 H PHE A 48 -5.000 9.482 2.914 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.439 10.659 1.705 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -6.950 7.923 2.937 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.491 8.495 2.328 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -8.765 8.949 -0.112 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -5.261 7.103 1.452 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -8.182 8.156 -2.360 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -4.676 6.310 -0.795 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.135 6.836 -2.705 1.00 10.00 H new ATOM 355 N GLY A 49 -6.956 11.599 4.274 1.00 10.00 N ATOM 356 CA GLY A 49 -7.305 12.116 5.584 1.00 10.00 C ATOM 357 C GLY A 49 -8.765 12.513 5.689 1.00 10.00 C ATOM 358 O GLY A 49 -9.355 12.444 6.769 1.00 10.00 O ATOM 0 H GLY A 49 -6.322 12.192 3.738 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.083 11.361 6.338 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -6.681 12.982 5.806 1.00 10.00 H new ATOM 362 N SER A 50 -9.353 12.930 4.579 1.00 10.00 N ATOM 363 CA SER A 50 -10.748 13.341 4.578 1.00 10.00 C ATOM 364 C SER A 50 -11.651 12.246 4.012 1.00 10.00 C ATOM 365 O SER A 50 -12.866 12.421 3.916 1.00 10.00 O ATOM 366 CB SER A 50 -10.916 14.631 3.773 1.00 10.00 C ATOM 367 OG SER A 50 -9.962 15.603 4.171 1.00 10.00 O ATOM 0 H SER A 50 -8.890 12.993 3.672 1.00 10.00 H new ATOM 0 HA SER A 50 -11.046 13.521 5.611 1.00 10.00 H new ATOM 0 HB2 SER A 50 -10.803 14.419 2.710 1.00 10.00 H new ATOM 0 HB3 SER A 50 -11.923 15.024 3.914 1.00 10.00 H new ATOM 0 HG SER A 50 -10.086 16.419 3.643 1.00 10.00 H new ATOM 373 N ASP A 51 -11.061 11.113 3.655 1.00 10.00 N ATOM 374 CA ASP A 51 -11.830 10.007 3.101 1.00 10.00 C ATOM 375 C ASP A 51 -11.594 8.738 3.913 1.00 10.00 C ATOM 376 O ASP A 51 -10.626 8.011 3.684 1.00 10.00 O ATOM 377 CB ASP A 51 -11.466 9.770 1.630 1.00 10.00 C ATOM 378 CG ASP A 51 -12.426 8.809 0.949 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.427 7.613 1.293 1.00 10.00 O ATOM 380 OD2 ASP A 51 -13.179 9.251 0.056 1.00 10.00 O ATOM 0 H ASP A 51 -10.060 10.936 3.738 1.00 10.00 H new ATOM 0 HA ASP A 51 -12.887 10.268 3.154 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -11.469 10.722 1.099 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -10.453 9.374 1.568 1.00 10.00 H new ATOM 385 N PRO A 52 -12.475 8.465 4.889 1.00 10.00 N ATOM 386 CA PRO A 52 -12.367 7.278 5.734 1.00 10.00 C ATOM 387 C PRO A 52 -12.848 6.015 5.024 1.00 10.00 C ATOM 388 O PRO A 52 -12.622 4.902 5.496 1.00 10.00 O ATOM 389 CB PRO A 52 -13.274 7.613 6.917 1.00 10.00 C ATOM 390 CG PRO A 52 -14.299 8.540 6.369 1.00 10.00 C ATOM 391 CD PRO A 52 -13.634 9.304 5.255 1.00 10.00 C ATOM 0 HA PRO A 52 -11.336 7.064 6.016 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.734 6.714 7.328 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.711 8.081 7.725 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -15.163 7.988 5.999 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.661 9.218 7.142 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.308 9.445 4.410 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.322 10.296 5.582 1.00 10.00 H new ATOM 399 N ALA A 53 -13.494 6.196 3.880 1.00 10.00 N ATOM 400 CA ALA A 53 -14.008 5.074 3.103 1.00 10.00 C ATOM 401 C ALA A 53 -12.870 4.296 2.452 1.00 10.00 C ATOM 402 O ALA A 53 -12.774 3.073 2.595 1.00 10.00 O ATOM 403 CB ALA A 53 -14.989 5.568 2.050 1.00 10.00 C ATOM 0 H ALA A 53 -13.675 7.111 3.468 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.533 4.400 3.780 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.365 4.720 1.477 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -15.822 6.075 2.538 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.484 6.263 1.380 1.00 10.00 H new ATOM 409 N THR A 54 -12.002 5.015 1.752 1.00 10.00 N ATOM 410 CA THR A 54 -10.864 4.400 1.089 1.00 10.00 C ATOM 411 C THR A 54 -9.915 3.798 2.127 1.00 10.00 C ATOM 412 O THR A 54 -9.263 2.777 1.887 1.00 10.00 O ATOM 413 CB THR A 54 -10.112 5.424 0.212 1.00 10.00 C ATOM 414 OG1 THR A 54 -11.055 6.262 -0.480 1.00 10.00 O ATOM 415 CG2 THR A 54 -9.221 4.721 -0.801 1.00 10.00 C ATOM 0 H THR A 54 -12.066 6.026 1.630 1.00 10.00 H new ATOM 0 HA THR A 54 -11.236 3.607 0.440 1.00 10.00 H new ATOM 0 HB THR A 54 -9.486 6.035 0.863 1.00 10.00 H new ATOM 0 HG1 THR A 54 -11.453 6.897 0.151 1.00 10.00 H new ATOM 0 HG21 THR A 54 -8.702 5.464 -1.407 1.00 10.00 H new ATOM 0 HG22 THR A 54 -8.490 4.105 -0.277 1.00 10.00 H new ATOM 0 HG23 THR A 54 -9.832 4.089 -1.446 1.00 10.00 H new ATOM 423 N TYR A 55 -9.865 4.428 3.293 1.00 10.00 N ATOM 424 CA TYR A 55 -9.026 3.964 4.387 1.00 10.00 C ATOM 425 C TYR A 55 -9.525 2.616 4.901 1.00 10.00 C ATOM 426 O TYR A 55 -8.737 1.692 5.114 1.00 10.00 O ATOM 427 CB TYR A 55 -9.014 4.999 5.517 1.00 10.00 C ATOM 428 CG TYR A 55 -8.256 4.556 6.748 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.931 4.136 6.665 1.00 10.00 C ATOM 430 CD2 TYR A 55 -8.866 4.560 7.995 1.00 10.00 C ATOM 431 CE1 TYR A 55 -6.242 3.731 7.791 1.00 10.00 C ATOM 432 CE2 TYR A 55 -8.181 4.158 9.125 1.00 10.00 C ATOM 433 CZ TYR A 55 -6.870 3.743 9.018 1.00 10.00 C ATOM 434 OH TYR A 55 -6.187 3.339 10.141 1.00 10.00 O ATOM 0 H TYR A 55 -10.401 5.269 3.505 1.00 10.00 H new ATOM 0 HA TYR A 55 -8.007 3.837 4.021 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.573 5.924 5.144 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -10.042 5.227 5.798 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -6.435 4.127 5.706 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -9.893 4.883 8.083 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -5.215 3.406 7.711 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -8.670 4.169 10.088 1.00 10.00 H new ATOM 0 HH TYR A 55 -6.773 3.409 10.923 1.00 10.00 H new ATOM 444 N ASN A 56 -10.839 2.504 5.067 1.00 10.00 N ATOM 445 CA ASN A 56 -11.450 1.267 5.545 1.00 10.00 C ATOM 446 C ASN A 56 -11.238 0.137 4.546 1.00 10.00 C ATOM 447 O ASN A 56 -11.013 -1.014 4.927 1.00 10.00 O ATOM 448 CB ASN A 56 -12.947 1.467 5.789 1.00 10.00 C ATOM 449 CG ASN A 56 -13.267 1.758 7.239 1.00 10.00 C ATOM 450 OD1 ASN A 56 -12.565 1.310 8.143 1.00 10.00 O ATOM 451 ND2 ASN A 56 -14.333 2.512 7.474 1.00 10.00 N ATOM 0 H ASN A 56 -11.502 3.255 4.878 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.969 0.998 6.486 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -13.306 2.289 5.170 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.485 0.573 5.474 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -14.596 2.739 8.433 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.890 2.865 6.696 1.00 10.00 H new ATOM 458 N GLY A 57 -11.305 0.481 3.263 1.00 10.00 N ATOM 459 CA GLY A 57 -11.118 -0.496 2.207 1.00 10.00 C ATOM 460 C GLY A 57 -9.731 -1.107 2.208 1.00 10.00 C ATOM 461 O GLY A 57 -9.572 -2.310 1.984 1.00 10.00 O ATOM 0 H GLY A 57 -11.487 1.429 2.935 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -11.859 -1.288 2.317 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.300 -0.021 1.243 1.00 10.00 H new ATOM 465 N PHE A 58 -8.725 -0.280 2.472 1.00 10.00 N ATOM 466 CA PHE A 58 -7.338 -0.736 2.501 1.00 10.00 C ATOM 467 C PHE A 58 -7.144 -1.808 3.573 1.00 10.00 C ATOM 468 O PHE A 58 -6.412 -2.779 3.371 1.00 10.00 O ATOM 469 CB PHE A 58 -6.397 0.450 2.753 1.00 10.00 C ATOM 470 CG PHE A 58 -4.938 0.108 2.622 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.154 -0.078 3.751 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.349 -0.030 1.374 1.00 10.00 C ATOM 473 CE1 PHE A 58 -2.813 -0.398 3.636 1.00 10.00 C ATOM 474 CE2 PHE A 58 -3.010 -0.347 1.256 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.242 -0.532 2.389 1.00 10.00 C ATOM 0 H PHE A 58 -8.844 0.714 2.670 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.098 -1.175 1.533 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -6.638 1.248 2.051 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -6.580 0.840 3.754 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.595 0.028 4.731 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.944 0.112 0.484 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.214 -0.543 4.523 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.564 -0.450 0.278 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.195 -0.781 2.298 1.00 10.00 H new ATOM 485 N LEU A 59 -7.812 -1.629 4.705 1.00 10.00 N ATOM 486 CA LEU A 59 -7.719 -2.582 5.803 1.00 10.00 C ATOM 487 C LEU A 59 -8.325 -3.923 5.406 1.00 10.00 C ATOM 488 O LEU A 59 -7.800 -4.982 5.758 1.00 10.00 O ATOM 489 CB LEU A 59 -8.418 -2.023 7.040 1.00 10.00 C ATOM 490 CG LEU A 59 -7.765 -0.769 7.623 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.694 -0.093 8.618 1.00 10.00 C ATOM 492 CD2 LEU A 59 -6.439 -1.116 8.283 1.00 10.00 C ATOM 0 H LEU A 59 -8.424 -0.833 4.887 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.667 -2.743 6.037 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.453 -1.794 6.785 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -8.443 -2.796 7.809 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.573 -0.073 6.807 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -8.210 0.797 9.021 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.619 0.192 8.117 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.920 -0.783 9.431 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -5.989 -0.212 8.692 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -6.609 -1.832 9.087 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.768 -1.553 7.544 1.00 10.00 H new ATOM 504 N GLU A 60 -9.417 -3.873 4.648 1.00 10.00 N ATOM 505 CA GLU A 60 -10.086 -5.087 4.184 1.00 10.00 C ATOM 506 C GLU A 60 -9.151 -5.882 3.278 1.00 10.00 C ATOM 507 O GLU A 60 -9.089 -7.110 3.348 1.00 10.00 O ATOM 508 CB GLU A 60 -11.368 -4.741 3.427 1.00 10.00 C ATOM 509 CG GLU A 60 -12.421 -4.067 4.291 1.00 10.00 C ATOM 510 CD GLU A 60 -12.953 -4.969 5.387 1.00 10.00 C ATOM 511 OE1 GLU A 60 -13.969 -5.655 5.153 1.00 10.00 O ATOM 512 OE2 GLU A 60 -12.366 -4.987 6.491 1.00 10.00 O ATOM 0 H GLU A 60 -9.858 -3.006 4.342 1.00 10.00 H new ATOM 0 HA GLU A 60 -10.347 -5.690 5.053 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -11.121 -4.086 2.592 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -11.787 -5.653 3.003 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -11.995 -3.170 4.741 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.249 -3.744 3.660 1.00 10.00 H new ATOM 519 N ILE A 61 -8.420 -5.165 2.429 1.00 10.00 N ATOM 520 CA ILE A 61 -7.464 -5.780 1.517 1.00 10.00 C ATOM 521 C ILE A 61 -6.360 -6.482 2.305 1.00 10.00 C ATOM 522 O ILE A 61 -5.992 -7.619 2.007 1.00 10.00 O ATOM 523 CB ILE A 61 -6.832 -4.731 0.577 1.00 10.00 C ATOM 524 CG1 ILE A 61 -7.916 -4.032 -0.246 1.00 10.00 C ATOM 525 CG2 ILE A 61 -5.799 -5.374 -0.337 1.00 10.00 C ATOM 526 CD1 ILE A 61 -7.391 -2.877 -1.070 1.00 10.00 C ATOM 0 H ILE A 61 -8.474 -4.149 2.355 1.00 10.00 H new ATOM 0 HA ILE A 61 -8.004 -6.508 0.912 1.00 10.00 H new ATOM 0 HB ILE A 61 -6.325 -3.985 1.189 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -8.384 -4.759 -0.909 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -8.693 -3.667 0.425 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -5.368 -4.615 -0.990 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -5.010 -5.825 0.266 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -6.278 -6.144 -0.942 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -8.211 -2.426 -1.629 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -6.948 -2.131 -0.410 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -6.635 -3.241 -1.766 1.00 10.00 H new ATOM 538 N MET A 62 -5.858 -5.797 3.331 1.00 10.00 N ATOM 539 CA MET A 62 -4.800 -6.338 4.179 1.00 10.00 C ATOM 540 C MET A 62 -5.266 -7.606 4.881 1.00 10.00 C ATOM 541 O MET A 62 -4.485 -8.542 5.066 1.00 10.00 O ATOM 542 CB MET A 62 -4.346 -5.298 5.210 1.00 10.00 C ATOM 543 CG MET A 62 -3.217 -4.406 4.715 1.00 10.00 C ATOM 544 SD MET A 62 -1.747 -4.485 5.762 1.00 10.00 S ATOM 545 CE MET A 62 -1.414 -6.250 5.753 1.00 10.00 C ATOM 0 H MET A 62 -6.169 -4.862 3.595 1.00 10.00 H new ATOM 0 HA MET A 62 -3.952 -6.587 3.541 1.00 10.00 H new ATOM 0 HB2 MET A 62 -5.197 -4.675 5.485 1.00 10.00 H new ATOM 0 HB3 MET A 62 -4.022 -5.812 6.115 1.00 10.00 H new ATOM 0 HG2 MET A 62 -2.949 -4.697 3.699 1.00 10.00 H new ATOM 0 HG3 MET A 62 -3.569 -3.375 4.669 1.00 10.00 H new ATOM 0 HE1 MET A 62 -0.355 -6.419 5.560 1.00 10.00 H new ATOM 0 HE2 MET A 62 -1.679 -6.675 6.721 1.00 10.00 H new ATOM 0 HE3 MET A 62 -2.006 -6.728 4.973 1.00 10.00 H new ATOM 555 N LYS A 63 -6.542 -7.635 5.254 1.00 10.00 N ATOM 556 CA LYS A 63 -7.119 -8.796 5.923 1.00 10.00 C ATOM 557 C LYS A 63 -7.026 -10.032 5.036 1.00 10.00 C ATOM 558 O LYS A 63 -6.607 -11.095 5.490 1.00 10.00 O ATOM 559 CB LYS A 63 -8.585 -8.545 6.292 1.00 10.00 C ATOM 560 CG LYS A 63 -8.777 -7.518 7.398 1.00 10.00 C ATOM 561 CD LYS A 63 -10.248 -7.346 7.733 1.00 10.00 C ATOM 562 CE LYS A 63 -10.453 -6.313 8.829 1.00 10.00 C ATOM 563 NZ LYS A 63 -11.880 -5.914 8.951 1.00 10.00 N ATOM 0 H LYS A 63 -7.196 -6.867 5.104 1.00 10.00 H new ATOM 0 HA LYS A 63 -6.548 -8.966 6.836 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -9.121 -8.211 5.403 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.037 -9.487 6.602 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -8.232 -7.831 8.288 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -8.357 -6.561 7.087 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.793 -7.042 6.839 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -10.664 -8.302 8.050 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -10.106 -6.718 9.780 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.846 -5.433 8.617 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -11.942 -4.984 9.412 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -12.308 -5.861 8.005 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -12.390 -6.618 9.522 1.00 10.00 H new ATOM 577 N GLU A 64 -7.411 -9.881 3.768 1.00 10.00 N ATOM 578 CA GLU A 64 -7.371 -10.988 2.811 1.00 10.00 C ATOM 579 C GLU A 64 -5.954 -11.523 2.659 1.00 10.00 C ATOM 580 O GLU A 64 -5.740 -12.731 2.578 1.00 10.00 O ATOM 581 CB GLU A 64 -7.903 -10.546 1.444 1.00 10.00 C ATOM 582 CG GLU A 64 -9.296 -9.955 1.501 1.00 10.00 C ATOM 583 CD GLU A 64 -9.871 -9.673 0.129 1.00 10.00 C ATOM 584 OE1 GLU A 64 -11.085 -9.886 -0.065 1.00 10.00 O ATOM 585 OE2 GLU A 64 -9.120 -9.235 -0.766 1.00 10.00 O ATOM 0 H GLU A 64 -7.754 -9.003 3.380 1.00 10.00 H new ATOM 0 HA GLU A 64 -8.009 -11.783 3.199 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.221 -9.809 1.018 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.908 -11.403 0.770 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.955 -10.642 2.032 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.270 -9.029 2.076 1.00 10.00 H new ATOM 592 N PHE A 65 -4.986 -10.619 2.623 1.00 10.00 N ATOM 593 CA PHE A 65 -3.589 -11.000 2.478 1.00 10.00 C ATOM 594 C PHE A 65 -3.096 -11.724 3.728 1.00 10.00 C ATOM 595 O PHE A 65 -2.393 -12.728 3.632 1.00 10.00 O ATOM 596 CB PHE A 65 -2.717 -9.773 2.194 1.00 10.00 C ATOM 597 CG PHE A 65 -1.287 -10.113 1.884 1.00 10.00 C ATOM 598 CD1 PHE A 65 -0.298 -9.960 2.842 1.00 10.00 C ATOM 599 CD2 PHE A 65 -0.932 -10.597 0.631 1.00 10.00 C ATOM 600 CE1 PHE A 65 1.017 -10.282 2.561 1.00 10.00 C ATOM 601 CE2 PHE A 65 0.382 -10.920 0.342 1.00 10.00 C ATOM 602 CZ PHE A 65 1.360 -10.763 1.310 1.00 10.00 C ATOM 0 H PHE A 65 -5.143 -9.614 2.692 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.511 -11.681 1.630 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -3.141 -9.222 1.355 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.745 -9.109 3.058 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.557 -9.584 3.821 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -1.691 -10.723 -0.127 1.00 10.00 H new ATOM 0 HE1 PHE A 65 1.777 -10.158 3.318 1.00 10.00 H new ATOM 0 HE2 PHE A 65 0.645 -11.294 -0.637 1.00 10.00 H new ATOM 0 HZ PHE A 65 2.387 -11.015 1.089 1.00 10.00 H new ATOM 612 N LYS A 66 -3.481 -11.219 4.894 1.00 10.00 N ATOM 613 CA LYS A 66 -3.075 -11.816 6.162 1.00 10.00 C ATOM 614 C LYS A 66 -3.683 -13.206 6.335 1.00 10.00 C ATOM 615 O LYS A 66 -3.072 -14.093 6.937 1.00 10.00 O ATOM 616 CB LYS A 66 -3.470 -10.911 7.334 1.00 10.00 C ATOM 617 CG LYS A 66 -2.716 -9.585 7.362 1.00 10.00 C ATOM 618 CD LYS A 66 -3.147 -8.695 8.524 1.00 10.00 C ATOM 619 CE LYS A 66 -2.530 -9.150 9.838 1.00 10.00 C ATOM 620 NZ LYS A 66 -2.483 -8.052 10.837 1.00 10.00 N ATOM 0 H LYS A 66 -4.075 -10.395 4.988 1.00 10.00 H new ATOM 0 HA LYS A 66 -1.990 -11.920 6.152 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.540 -10.710 7.283 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -3.290 -11.442 8.269 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -1.646 -9.780 7.435 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -2.881 -9.057 6.423 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -2.854 -7.665 8.322 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -4.234 -8.707 8.608 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -3.107 -9.983 10.241 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -1.521 -9.519 9.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -2.056 -8.402 11.718 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -1.912 -7.267 10.464 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -3.448 -7.716 11.030 1.00 10.00 H new ATOM 634 N SER A 67 -4.887 -13.391 5.805 1.00 10.00 N ATOM 635 CA SER A 67 -5.564 -14.674 5.880 1.00 10.00 C ATOM 636 C SER A 67 -5.107 -15.589 4.740 1.00 10.00 C ATOM 637 O SER A 67 -5.620 -16.698 4.572 1.00 10.00 O ATOM 638 CB SER A 67 -7.080 -14.473 5.819 1.00 10.00 C ATOM 639 OG SER A 67 -7.500 -13.484 6.745 1.00 10.00 O ATOM 0 H SER A 67 -5.413 -12.665 5.318 1.00 10.00 H new ATOM 0 HA SER A 67 -5.308 -15.147 6.828 1.00 10.00 H new ATOM 0 HB2 SER A 67 -7.371 -14.179 4.811 1.00 10.00 H new ATOM 0 HB3 SER A 67 -7.584 -15.415 6.034 1.00 10.00 H new ATOM 0 HG SER A 67 -7.228 -12.599 6.424 1.00 10.00 H new ATOM 645 N GLN A 68 -4.144 -15.102 3.954 1.00 10.00 N ATOM 646 CA GLN A 68 -3.586 -15.850 2.830 1.00 10.00 C ATOM 647 C GLN A 68 -4.648 -16.187 1.785 1.00 10.00 C ATOM 648 O GLN A 68 -4.583 -17.230 1.132 1.00 10.00 O ATOM 649 CB GLN A 68 -2.903 -17.128 3.320 1.00 10.00 C ATOM 650 CG GLN A 68 -1.425 -16.941 3.621 1.00 10.00 C ATOM 651 CD GLN A 68 -0.765 -18.202 4.133 1.00 10.00 C ATOM 652 OE1 GLN A 68 -0.332 -19.047 3.352 1.00 10.00 O ATOM 653 NE2 GLN A 68 -0.658 -18.323 5.447 1.00 10.00 N ATOM 0 H GLN A 68 -3.731 -14.178 4.081 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.844 -15.210 2.353 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -3.408 -17.480 4.219 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -3.018 -17.906 2.565 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.914 -16.611 2.717 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -1.307 -16.149 4.361 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -1.032 -17.597 6.058 1.00 10.00 H new ATOM 0 HE22 GLN A 68 -0.202 -19.142 5.848 1.00 10.00 H new ATOM 662 N SER A 69 -5.624 -15.304 1.631 1.00 10.00 N ATOM 663 CA SER A 69 -6.676 -15.500 0.647 1.00 10.00 C ATOM 664 C SER A 69 -6.178 -15.063 -0.728 1.00 10.00 C ATOM 665 O SER A 69 -6.650 -15.540 -1.762 1.00 10.00 O ATOM 666 CB SER A 69 -7.923 -14.708 1.039 1.00 10.00 C ATOM 667 OG SER A 69 -8.291 -14.987 2.381 1.00 10.00 O ATOM 0 H SER A 69 -5.708 -14.445 2.175 1.00 10.00 H new ATOM 0 HA SER A 69 -6.939 -16.557 0.610 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.734 -13.641 0.922 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.746 -14.961 0.371 1.00 10.00 H new ATOM 0 HG SER A 69 -9.090 -14.470 2.615 1.00 10.00 H new ATOM 673 N ILE A 70 -5.212 -14.154 -0.720 1.00 10.00 N ATOM 674 CA ILE A 70 -4.618 -13.642 -1.944 1.00 10.00 C ATOM 675 C ILE A 70 -3.108 -13.535 -1.782 1.00 10.00 C ATOM 676 O ILE A 70 -2.594 -13.602 -0.663 1.00 10.00 O ATOM 677 CB ILE A 70 -5.178 -12.255 -2.328 1.00 10.00 C ATOM 678 CG1 ILE A 70 -5.153 -11.314 -1.118 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.589 -12.381 -2.885 1.00 10.00 C ATOM 680 CD1 ILE A 70 -5.598 -9.899 -1.438 1.00 10.00 C ATOM 0 H ILE A 70 -4.821 -13.753 0.132 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.869 -14.343 -2.740 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.544 -11.830 -3.106 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -5.797 -11.721 -0.339 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -4.142 -11.285 -0.712 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -6.965 -11.393 -3.149 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.575 -13.013 -3.773 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -7.239 -12.827 -2.132 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -5.554 -9.291 -0.535 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -4.939 -9.473 -2.194 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -6.621 -9.916 -1.815 1.00 10.00 H new ATOM 692 N ASP A 71 -2.407 -13.383 -2.894 1.00 10.00 N ATOM 693 CA ASP A 71 -0.952 -13.263 -2.874 1.00 10.00 C ATOM 694 C ASP A 71 -0.540 -11.879 -3.345 1.00 10.00 C ATOM 695 O ASP A 71 -1.374 -10.977 -3.421 1.00 10.00 O ATOM 696 CB ASP A 71 -0.305 -14.324 -3.766 1.00 10.00 C ATOM 697 CG ASP A 71 0.106 -15.559 -2.994 1.00 10.00 C ATOM 698 OD1 ASP A 71 1.274 -15.630 -2.557 1.00 10.00 O ATOM 699 OD2 ASP A 71 -0.730 -16.474 -2.831 1.00 10.00 O ATOM 0 H ASP A 71 -2.820 -13.339 -3.826 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.611 -13.416 -1.850 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -1.004 -14.607 -4.553 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.571 -13.898 -4.256 1.00 10.00 H new ATOM 704 N THR A 72 0.741 -11.715 -3.663 1.00 10.00 N ATOM 705 CA THR A 72 1.271 -10.439 -4.134 1.00 10.00 C ATOM 706 C THR A 72 0.463 -9.864 -5.312 1.00 10.00 C ATOM 707 O THR A 72 -0.024 -8.738 -5.224 1.00 10.00 O ATOM 708 CB THR A 72 2.752 -10.571 -4.530 1.00 10.00 C ATOM 709 OG1 THR A 72 3.413 -11.450 -3.605 1.00 10.00 O ATOM 710 CG2 THR A 72 3.436 -9.211 -4.530 1.00 10.00 C ATOM 0 H THR A 72 1.437 -12.458 -3.602 1.00 10.00 H new ATOM 0 HA THR A 72 1.182 -9.741 -3.301 1.00 10.00 H new ATOM 0 HB THR A 72 2.812 -10.982 -5.538 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.382 -12.368 -3.947 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.482 -9.330 -4.813 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.939 -8.554 -5.244 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.377 -8.774 -3.533 1.00 10.00 H new ATOM 718 N PRO A 73 0.285 -10.617 -6.426 1.00 10.00 N ATOM 719 CA PRO A 73 -0.478 -10.124 -7.585 1.00 10.00 C ATOM 720 C PRO A 73 -1.941 -9.837 -7.246 1.00 10.00 C ATOM 721 O PRO A 73 -2.609 -9.066 -7.934 1.00 10.00 O ATOM 722 CB PRO A 73 -0.382 -11.267 -8.601 1.00 10.00 C ATOM 723 CG PRO A 73 -0.027 -12.473 -7.805 1.00 10.00 C ATOM 724 CD PRO A 73 0.813 -11.977 -6.665 1.00 10.00 C ATOM 0 HA PRO A 73 -0.080 -9.178 -7.951 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -1.327 -11.407 -9.126 1.00 10.00 H new ATOM 0 HB3 PRO A 73 0.375 -11.058 -9.357 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -0.921 -12.978 -7.441 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.522 -13.194 -8.411 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.710 -12.610 -5.784 1.00 10.00 H new ATOM 0 HD3 PRO A 73 1.872 -11.959 -6.923 1.00 10.00 H new ATOM 732 N GLY A 74 -2.428 -10.464 -6.185 1.00 10.00 N ATOM 733 CA GLY A 74 -3.799 -10.263 -5.772 1.00 10.00 C ATOM 734 C GLY A 74 -3.957 -9.018 -4.925 1.00 10.00 C ATOM 735 O GLY A 74 -4.885 -8.230 -5.128 1.00 10.00 O ATOM 0 H GLY A 74 -1.895 -11.110 -5.602 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -4.436 -10.186 -6.653 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -4.139 -11.131 -5.208 1.00 10.00 H new ATOM 739 N VAL A 75 -3.046 -8.836 -3.974 1.00 10.00 N ATOM 740 CA VAL A 75 -3.089 -7.675 -3.095 1.00 10.00 C ATOM 741 C VAL A 75 -2.866 -6.381 -3.886 1.00 10.00 C ATOM 742 O VAL A 75 -3.468 -5.345 -3.587 1.00 10.00 O ATOM 743 CB VAL A 75 -2.061 -7.808 -1.938 1.00 10.00 C ATOM 744 CG1 VAL A 75 -0.658 -7.408 -2.365 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.507 -6.990 -0.741 1.00 10.00 C ATOM 0 H VAL A 75 -2.272 -9.476 -3.794 1.00 10.00 H new ATOM 0 HA VAL A 75 -4.083 -7.629 -2.650 1.00 10.00 H new ATOM 0 HB VAL A 75 -2.022 -8.861 -1.658 1.00 10.00 H new ATOM 0 HG11 VAL A 75 0.024 -7.518 -1.522 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.330 -8.049 -3.183 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.661 -6.370 -2.696 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -1.777 -7.093 0.062 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.587 -5.941 -1.027 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.478 -7.348 -0.397 1.00 10.00 H new ATOM 755 N ILE A 76 -2.025 -6.453 -4.917 1.00 10.00 N ATOM 756 CA ILE A 76 -1.747 -5.297 -5.755 1.00 10.00 C ATOM 757 C ILE A 76 -2.974 -4.953 -6.597 1.00 10.00 C ATOM 758 O ILE A 76 -3.335 -3.782 -6.734 1.00 10.00 O ATOM 759 CB ILE A 76 -0.518 -5.527 -6.670 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.749 -5.682 -5.822 1.00 10.00 C ATOM 761 CG2 ILE A 76 -0.358 -4.374 -7.655 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.992 -5.984 -6.627 1.00 10.00 C ATOM 0 H ILE A 76 -1.527 -7.301 -5.188 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.513 -4.461 -5.096 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.676 -6.444 -7.238 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.909 -4.765 -5.255 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.594 -6.482 -5.098 1.00 10.00 H new ATOM 0 HG21 ILE A 76 0.510 -4.554 -8.288 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -1.251 -4.299 -8.276 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -0.219 -3.443 -7.106 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.846 -6.079 -5.956 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.854 -6.917 -7.173 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.174 -5.174 -7.333 1.00 10.00 H new ATOM 774 N ARG A 77 -3.633 -5.982 -7.130 1.00 10.00 N ATOM 775 CA ARG A 77 -4.824 -5.789 -7.950 1.00 10.00 C ATOM 776 C ARG A 77 -5.941 -5.163 -7.120 1.00 10.00 C ATOM 777 O ARG A 77 -6.662 -4.285 -7.593 1.00 10.00 O ATOM 778 CB ARG A 77 -5.304 -7.116 -8.537 1.00 10.00 C ATOM 779 CG ARG A 77 -6.361 -6.947 -9.618 1.00 10.00 C ATOM 780 CD ARG A 77 -7.221 -8.188 -9.760 1.00 10.00 C ATOM 781 NE ARG A 77 -8.032 -8.421 -8.570 1.00 10.00 N ATOM 782 CZ ARG A 77 -8.029 -9.554 -7.868 1.00 10.00 C ATOM 783 NH1 ARG A 77 -7.251 -10.569 -8.229 1.00 10.00 N ATOM 784 NH2 ARG A 77 -8.795 -9.660 -6.796 1.00 10.00 N ATOM 0 H ARG A 77 -3.360 -6.957 -7.007 1.00 10.00 H new ATOM 0 HA ARG A 77 -4.563 -5.119 -8.769 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -4.451 -7.651 -8.953 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -5.709 -7.735 -7.736 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -6.993 -6.092 -9.379 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -5.877 -6.729 -10.570 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -7.871 -8.083 -10.629 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -6.584 -9.054 -9.941 1.00 10.00 H new ATOM 0 HE ARG A 77 -8.642 -7.667 -8.254 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -6.650 -10.484 -9.049 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -7.255 -11.433 -7.686 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -9.384 -8.878 -6.510 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -8.797 -10.524 -6.254 1.00 10.00 H new ATOM 798 N ARG A 78 -6.065 -5.618 -5.878 1.00 10.00 N ATOM 799 CA ARG A 78 -7.073 -5.096 -4.961 1.00 10.00 C ATOM 800 C ARG A 78 -6.897 -3.590 -4.787 1.00 10.00 C ATOM 801 O ARG A 78 -7.863 -2.823 -4.811 1.00 10.00 O ATOM 802 CB ARG A 78 -6.946 -5.785 -3.600 1.00 10.00 C ATOM 803 CG ARG A 78 -7.847 -6.994 -3.428 1.00 10.00 C ATOM 804 CD ARG A 78 -9.307 -6.587 -3.356 1.00 10.00 C ATOM 805 NE ARG A 78 -10.133 -7.596 -2.692 1.00 10.00 N ATOM 806 CZ ARG A 78 -11.412 -7.828 -2.981 1.00 10.00 C ATOM 807 NH1 ARG A 78 -12.023 -7.131 -3.937 1.00 10.00 N ATOM 808 NH2 ARG A 78 -12.095 -8.736 -2.288 1.00 10.00 N ATOM 0 H ARG A 78 -5.477 -6.351 -5.481 1.00 10.00 H new ATOM 0 HA ARG A 78 -8.061 -5.295 -5.377 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -5.911 -6.094 -3.457 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -7.174 -5.062 -2.817 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -7.699 -7.682 -4.261 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.571 -7.530 -2.520 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.392 -5.641 -2.821 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -9.685 -6.418 -4.364 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.701 -8.159 -1.959 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.511 -6.415 -4.452 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -13.003 -7.313 -4.154 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -11.639 -9.253 -1.537 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -13.075 -8.915 -2.508 1.00 10.00 H new ATOM 822 N VAL A 79 -5.647 -3.177 -4.624 1.00 10.00 N ATOM 823 CA VAL A 79 -5.318 -1.770 -4.450 1.00 10.00 C ATOM 824 C VAL A 79 -5.469 -1.005 -5.761 1.00 10.00 C ATOM 825 O VAL A 79 -5.791 0.184 -5.761 1.00 10.00 O ATOM 826 CB VAL A 79 -3.889 -1.608 -3.892 1.00 10.00 C ATOM 827 CG1 VAL A 79 -3.409 -0.166 -3.975 1.00 10.00 C ATOM 828 CG2 VAL A 79 -3.844 -2.102 -2.461 1.00 10.00 C ATOM 0 H VAL A 79 -4.840 -3.801 -4.609 1.00 10.00 H new ATOM 0 HA VAL A 79 -6.020 -1.350 -3.730 1.00 10.00 H new ATOM 0 HB VAL A 79 -3.215 -2.207 -4.505 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -2.399 -0.095 -3.572 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -3.408 0.158 -5.016 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -4.076 0.473 -3.397 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -2.834 -1.987 -2.068 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -4.538 -1.521 -1.854 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -4.128 -3.154 -2.430 1.00 10.00 H new ATOM 838 N SER A 80 -5.259 -1.693 -6.875 1.00 10.00 N ATOM 839 CA SER A 80 -5.390 -1.081 -8.192 1.00 10.00 C ATOM 840 C SER A 80 -6.815 -0.573 -8.415 1.00 10.00 C ATOM 841 O SER A 80 -7.037 0.402 -9.133 1.00 10.00 O ATOM 842 CB SER A 80 -5.016 -2.087 -9.286 1.00 10.00 C ATOM 843 OG SER A 80 -3.659 -2.484 -9.175 1.00 10.00 O ATOM 0 H SER A 80 -4.996 -2.678 -6.894 1.00 10.00 H new ATOM 0 HA SER A 80 -4.708 -0.232 -8.242 1.00 10.00 H new ATOM 0 HB2 SER A 80 -5.661 -2.963 -9.214 1.00 10.00 H new ATOM 0 HB3 SER A 80 -5.189 -1.643 -10.266 1.00 10.00 H new ATOM 0 HG SER A 80 -3.518 -2.929 -8.313 1.00 10.00 H new ATOM 849 N GLN A 81 -7.775 -1.242 -7.786 1.00 10.00 N ATOM 850 CA GLN A 81 -9.175 -0.855 -7.901 1.00 10.00 C ATOM 851 C GLN A 81 -9.529 0.186 -6.843 1.00 10.00 C ATOM 852 O GLN A 81 -10.438 0.991 -7.030 1.00 10.00 O ATOM 853 CB GLN A 81 -10.081 -2.076 -7.753 1.00 10.00 C ATOM 854 CG GLN A 81 -10.156 -2.945 -9.003 1.00 10.00 C ATOM 855 CD GLN A 81 -11.182 -2.439 -10.000 1.00 10.00 C ATOM 856 OE1 GLN A 81 -12.352 -2.818 -9.952 1.00 10.00 O ATOM 857 NE2 GLN A 81 -10.752 -1.583 -10.914 1.00 10.00 N ATOM 0 H GLN A 81 -7.609 -2.054 -7.192 1.00 10.00 H new ATOM 0 HA GLN A 81 -9.329 -0.420 -8.889 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.723 -2.683 -6.921 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -11.086 -1.741 -7.494 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -9.176 -2.977 -9.479 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -10.405 -3.967 -8.717 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -9.774 -1.293 -10.921 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -11.399 -1.214 -11.611 1.00 10.00 H new ATOM 866 N LEU A 82 -8.801 0.160 -5.734 1.00 10.00 N ATOM 867 CA LEU A 82 -9.026 1.100 -4.639 1.00 10.00 C ATOM 868 C LEU A 82 -8.449 2.467 -4.989 1.00 10.00 C ATOM 869 O LEU A 82 -9.148 3.477 -4.946 1.00 10.00 O ATOM 870 CB LEU A 82 -8.391 0.571 -3.351 1.00 10.00 C ATOM 871 CG LEU A 82 -8.726 1.357 -2.082 1.00 10.00 C ATOM 872 CD1 LEU A 82 -10.194 1.199 -1.722 1.00 10.00 C ATOM 873 CD2 LEU A 82 -7.839 0.907 -0.931 1.00 10.00 C ATOM 0 H LEU A 82 -8.046 -0.505 -5.567 1.00 10.00 H new ATOM 0 HA LEU A 82 -10.100 1.205 -4.483 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -8.704 -0.464 -3.210 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -7.308 0.562 -3.477 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.536 2.414 -2.272 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -10.410 1.766 -0.817 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -10.811 1.572 -2.539 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -10.415 0.145 -1.551 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -8.089 1.475 -0.035 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -7.998 -0.155 -0.743 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -6.794 1.078 -1.189 1.00 10.00 H new ATOM 885 N PHE A 83 -7.177 2.491 -5.358 1.00 10.00 N ATOM 886 CA PHE A 83 -6.507 3.737 -5.716 1.00 10.00 C ATOM 887 C PHE A 83 -6.588 3.972 -7.219 1.00 10.00 C ATOM 888 O PHE A 83 -5.605 4.350 -7.854 1.00 10.00 O ATOM 889 CB PHE A 83 -5.036 3.716 -5.279 1.00 10.00 C ATOM 890 CG PHE A 83 -4.827 3.555 -3.797 1.00 10.00 C ATOM 891 CD1 PHE A 83 -5.851 3.801 -2.894 1.00 10.00 C ATOM 892 CD2 PHE A 83 -3.596 3.153 -3.307 1.00 10.00 C ATOM 893 CE1 PHE A 83 -5.650 3.644 -1.537 1.00 10.00 C ATOM 894 CE2 PHE A 83 -3.391 2.998 -1.950 1.00 10.00 C ATOM 895 CZ PHE A 83 -4.418 3.241 -1.066 1.00 10.00 C ATOM 0 H PHE A 83 -6.586 1.662 -5.418 1.00 10.00 H new ATOM 0 HA PHE A 83 -7.015 4.549 -5.196 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.528 2.901 -5.795 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.561 4.643 -5.602 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -6.817 4.119 -3.257 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -2.786 2.958 -3.994 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -6.457 3.837 -0.845 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -2.425 2.686 -1.582 1.00 10.00 H new ATOM 0 HZ PHE A 83 -4.259 3.116 -0.005 1.00 10.00 H new ATOM 905 N HIS A 84 -7.773 3.767 -7.777 1.00 10.00 N ATOM 906 CA HIS A 84 -7.993 3.953 -9.208 1.00 10.00 C ATOM 907 C HIS A 84 -7.891 5.429 -9.589 1.00 10.00 C ATOM 908 O HIS A 84 -7.804 5.775 -10.768 1.00 10.00 O ATOM 909 CB HIS A 84 -9.359 3.385 -9.631 1.00 10.00 C ATOM 910 CG HIS A 84 -10.548 4.011 -8.950 1.00 10.00 C ATOM 911 ND1 HIS A 84 -10.858 4.071 -7.632 1.00 10.00 N flip ATOM 912 CD2 HIS A 84 -11.544 4.631 -9.668 1.00 10.00 C flip ATOM 913 CE1 HIS A 84 -12.052 4.733 -7.533 1.00 10.00 C flip ATOM 914 NE2 HIS A 84 -12.430 5.049 -8.776 1.00 10.00 N flip ATOM 0 H HIS A 84 -8.601 3.471 -7.260 1.00 10.00 H new ATOM 0 HA HIS A 84 -7.213 3.407 -9.739 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -9.469 3.509 -10.708 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -9.368 2.313 -9.431 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -11.594 4.752 -10.740 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -12.588 4.958 -6.623 1.00 10.00 H new ATOM 0 HE2 HIS A 84 -13.289 5.547 -9.008 1.00 10.00 H new ATOM 922 N GLU A 85 -7.898 6.292 -8.581 1.00 10.00 N ATOM 923 CA GLU A 85 -7.797 7.724 -8.798 1.00 10.00 C ATOM 924 C GLU A 85 -6.391 8.221 -8.480 1.00 10.00 C ATOM 925 O GLU A 85 -6.041 9.357 -8.801 1.00 10.00 O ATOM 926 CB GLU A 85 -8.822 8.462 -7.934 1.00 10.00 C ATOM 927 CG GLU A 85 -10.230 8.420 -8.485 1.00 10.00 C ATOM 928 CD GLU A 85 -10.370 9.194 -9.779 1.00 10.00 C ATOM 929 OE1 GLU A 85 -10.861 8.618 -10.772 1.00 10.00 O ATOM 930 OE2 GLU A 85 -9.989 10.385 -9.813 1.00 10.00 O ATOM 0 H GLU A 85 -7.973 6.020 -7.601 1.00 10.00 H new ATOM 0 HA GLU A 85 -8.005 7.927 -9.849 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -8.820 8.028 -6.934 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -8.514 9.502 -7.830 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -10.520 7.383 -8.653 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -10.919 8.828 -7.745 1.00 10.00 H new ATOM 937 N HIS A 86 -5.583 7.366 -7.865 1.00 10.00 N ATOM 938 CA HIS A 86 -4.218 7.735 -7.499 1.00 10.00 C ATOM 939 C HIS A 86 -3.233 6.640 -7.900 1.00 10.00 C ATOM 940 O HIS A 86 -2.809 5.838 -7.066 1.00 10.00 O ATOM 941 CB HIS A 86 -4.108 8.003 -5.993 1.00 10.00 C ATOM 942 CG HIS A 86 -5.062 9.044 -5.494 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.105 8.722 -4.659 1.00 10.00 N ATOM 944 CD2 HIS A 86 -5.099 10.372 -5.759 1.00 10.00 C ATOM 945 CE1 HIS A 86 -6.754 9.851 -4.438 1.00 10.00 C ATOM 946 NE2 HIS A 86 -6.181 10.877 -5.086 1.00 10.00 N ATOM 0 H HIS A 86 -5.847 6.415 -7.609 1.00 10.00 H new ATOM 0 HA HIS A 86 -3.968 8.649 -8.038 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.285 7.072 -5.454 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -3.090 8.316 -5.762 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -4.410 10.925 -6.380 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -7.633 9.937 -3.816 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -6.492 11.848 -5.079 1.00 10.00 H new ATOM 954 N PRO A 87 -2.854 6.588 -9.188 1.00 10.00 N ATOM 955 CA PRO A 87 -1.914 5.583 -9.699 1.00 10.00 C ATOM 956 C PRO A 87 -0.545 5.689 -9.031 1.00 10.00 C ATOM 957 O PRO A 87 0.145 4.687 -8.832 1.00 10.00 O ATOM 958 CB PRO A 87 -1.808 5.905 -11.195 1.00 10.00 C ATOM 959 CG PRO A 87 -2.305 7.303 -11.340 1.00 10.00 C ATOM 960 CD PRO A 87 -3.309 7.506 -10.244 1.00 10.00 C ATOM 0 HA PRO A 87 -2.257 4.568 -9.499 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -0.779 5.817 -11.543 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -2.406 5.213 -11.788 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -1.487 8.018 -11.255 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -2.761 7.455 -12.318 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -3.323 8.540 -9.899 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -4.319 7.267 -10.576 1.00 10.00 H new ATOM 968 N ASP A 88 -0.178 6.909 -8.659 1.00 10.00 N ATOM 969 CA ASP A 88 1.104 7.179 -8.015 1.00 10.00 C ATOM 970 C ASP A 88 1.225 6.418 -6.698 1.00 10.00 C ATOM 971 O ASP A 88 2.317 6.005 -6.304 1.00 10.00 O ATOM 972 CB ASP A 88 1.258 8.682 -7.763 1.00 10.00 C ATOM 973 CG ASP A 88 0.901 9.515 -8.978 1.00 10.00 C ATOM 974 OD1 ASP A 88 1.817 10.019 -9.657 1.00 10.00 O ATOM 975 OD2 ASP A 88 -0.305 9.667 -9.261 1.00 10.00 O ATOM 0 H ASP A 88 -0.758 7.737 -8.794 1.00 10.00 H new ATOM 0 HA ASP A 88 1.898 6.841 -8.681 1.00 10.00 H new ATOM 0 HB2 ASP A 88 0.622 8.974 -6.927 1.00 10.00 H new ATOM 0 HB3 ASP A 88 2.286 8.894 -7.471 1.00 10.00 H new ATOM 980 N LEU A 89 0.090 6.219 -6.032 1.00 10.00 N ATOM 981 CA LEU A 89 0.052 5.510 -4.755 1.00 10.00 C ATOM 982 C LEU A 89 0.233 4.010 -4.953 1.00 10.00 C ATOM 983 O LEU A 89 0.684 3.304 -4.050 1.00 10.00 O ATOM 984 CB LEU A 89 -1.267 5.781 -4.028 1.00 10.00 C ATOM 985 CG LEU A 89 -1.250 6.986 -3.083 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.623 7.204 -2.489 1.00 10.00 C ATOM 987 CD2 LEU A 89 -0.221 6.783 -1.982 1.00 10.00 C ATOM 0 H LEU A 89 -0.821 6.541 -6.358 1.00 10.00 H new ATOM 0 HA LEU A 89 0.877 5.880 -4.147 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -2.050 5.932 -4.771 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -1.538 4.894 -3.456 1.00 10.00 H new ATOM 0 HG LEU A 89 -0.973 7.872 -3.654 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.597 8.063 -1.819 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -3.340 7.389 -3.289 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.923 6.317 -1.930 1.00 10.00 H new ATOM 0 HD21 LEU A 89 -0.222 7.648 -1.319 1.00 10.00 H new ATOM 0 HD22 LEU A 89 -0.471 5.889 -1.411 1.00 10.00 H new ATOM 0 HD23 LEU A 89 0.768 6.666 -2.425 1.00 10.00 H new ATOM 999 N ILE A 90 -0.122 3.531 -6.135 1.00 10.00 N ATOM 1000 CA ILE A 90 0.011 2.116 -6.456 1.00 10.00 C ATOM 1001 C ILE A 90 1.449 1.803 -6.847 1.00 10.00 C ATOM 1002 O ILE A 90 2.028 0.810 -6.401 1.00 10.00 O ATOM 1003 CB ILE A 90 -0.933 1.706 -7.607 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -2.364 2.159 -7.308 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -0.885 0.201 -7.838 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -3.296 2.033 -8.491 1.00 10.00 C ATOM 0 H ILE A 90 -0.505 4.101 -6.889 1.00 10.00 H new ATOM 0 HA ILE A 90 -0.264 1.548 -5.567 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.595 2.199 -8.519 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -2.758 1.569 -6.481 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -2.346 3.198 -6.978 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.558 -0.064 -8.653 1.00 10.00 H new ATOM 0 HG22 ILE A 90 0.132 -0.095 -8.096 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -1.194 -0.317 -6.930 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -4.292 2.372 -8.207 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -2.925 2.645 -9.313 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -3.343 0.991 -8.807 1.00 10.00 H new ATOM 1018 N VAL A 91 2.024 2.666 -7.678 1.00 10.00 N ATOM 1019 CA VAL A 91 3.404 2.499 -8.130 1.00 10.00 C ATOM 1020 C VAL A 91 4.371 2.701 -6.965 1.00 10.00 C ATOM 1021 O VAL A 91 5.444 2.094 -6.915 1.00 10.00 O ATOM 1022 CB VAL A 91 3.752 3.486 -9.267 1.00 10.00 C ATOM 1023 CG1 VAL A 91 5.101 3.149 -9.887 1.00 10.00 C ATOM 1024 CG2 VAL A 91 2.665 3.478 -10.332 1.00 10.00 C ATOM 0 H VAL A 91 1.556 3.491 -8.054 1.00 10.00 H new ATOM 0 HA VAL A 91 3.502 1.484 -8.515 1.00 10.00 H new ATOM 0 HB VAL A 91 3.814 4.486 -8.838 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.322 3.858 -10.684 1.00 10.00 H new ATOM 0 HG12 VAL A 91 5.877 3.207 -9.124 1.00 10.00 H new ATOM 0 HG13 VAL A 91 5.071 2.140 -10.297 1.00 10.00 H new ATOM 0 HG21 VAL A 91 2.927 4.179 -11.125 1.00 10.00 H new ATOM 0 HG22 VAL A 91 2.573 2.476 -10.750 1.00 10.00 H new ATOM 0 HG23 VAL A 91 1.716 3.774 -9.885 1.00 10.00 H new ATOM 1034 N GLY A 92 3.976 3.556 -6.027 1.00 10.00 N ATOM 1035 CA GLY A 92 4.805 3.821 -4.867 1.00 10.00 C ATOM 1036 C GLY A 92 5.018 2.573 -4.031 1.00 10.00 C ATOM 1037 O GLY A 92 6.118 2.330 -3.537 1.00 10.00 O ATOM 0 H GLY A 92 3.095 4.070 -6.050 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.770 4.211 -5.191 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.338 4.593 -4.255 1.00 10.00 H new ATOM 1041 N PHE A 93 3.964 1.768 -3.893 1.00 10.00 N ATOM 1042 CA PHE A 93 4.029 0.531 -3.122 1.00 10.00 C ATOM 1043 C PHE A 93 5.002 -0.447 -3.775 1.00 10.00 C ATOM 1044 O PHE A 93 5.725 -1.168 -3.095 1.00 10.00 O ATOM 1045 CB PHE A 93 2.637 -0.103 -3.014 1.00 10.00 C ATOM 1046 CG PHE A 93 2.646 -1.498 -2.452 1.00 10.00 C ATOM 1047 CD1 PHE A 93 2.915 -1.719 -1.111 1.00 10.00 C ATOM 1048 CD2 PHE A 93 2.387 -2.588 -3.268 1.00 10.00 C ATOM 1049 CE1 PHE A 93 2.925 -2.999 -0.594 1.00 10.00 C ATOM 1050 CE2 PHE A 93 2.397 -3.871 -2.757 1.00 10.00 C ATOM 1051 CZ PHE A 93 2.666 -4.077 -1.418 1.00 10.00 C ATOM 0 H PHE A 93 3.051 1.954 -4.309 1.00 10.00 H new ATOM 0 HA PHE A 93 4.386 0.765 -2.119 1.00 10.00 H new ATOM 0 HB2 PHE A 93 2.009 0.528 -2.385 1.00 10.00 H new ATOM 0 HB3 PHE A 93 2.180 -0.123 -4.003 1.00 10.00 H new ATOM 0 HD1 PHE A 93 3.119 -0.880 -0.462 1.00 10.00 H new ATOM 0 HD2 PHE A 93 2.175 -2.432 -4.315 1.00 10.00 H new ATOM 0 HE1 PHE A 93 3.135 -3.157 0.453 1.00 10.00 H new ATOM 0 HE2 PHE A 93 2.195 -4.712 -3.404 1.00 10.00 H new ATOM 0 HZ PHE A 93 2.674 -5.079 -1.016 1.00 10.00 H new ATOM 1061 N ASN A 94 5.020 -0.445 -5.101 1.00 10.00 N ATOM 1062 CA ASN A 94 5.899 -1.325 -5.864 1.00 10.00 C ATOM 1063 C ASN A 94 7.364 -1.010 -5.574 1.00 10.00 C ATOM 1064 O ASN A 94 8.230 -1.881 -5.665 1.00 10.00 O ATOM 1065 CB ASN A 94 5.618 -1.181 -7.362 1.00 10.00 C ATOM 1066 CG ASN A 94 5.896 -2.456 -8.135 1.00 10.00 C ATOM 1067 OD1 ASN A 94 7.000 -2.666 -8.638 1.00 10.00 O ATOM 1068 ND2 ASN A 94 4.890 -3.305 -8.258 1.00 10.00 N ATOM 0 H ASN A 94 4.432 0.160 -5.675 1.00 10.00 H new ATOM 0 HA ASN A 94 5.701 -2.353 -5.562 1.00 10.00 H new ATOM 0 HB2 ASN A 94 4.577 -0.893 -7.506 1.00 10.00 H new ATOM 0 HB3 ASN A 94 6.230 -0.375 -7.766 1.00 10.00 H new ATOM 0 HD21 ASN A 94 5.014 -4.170 -8.785 1.00 10.00 H new ATOM 0 HD22 ASN A 94 3.990 -3.095 -7.826 1.00 10.00 H new ATOM 1075 N ALA A 95 7.637 0.238 -5.217 1.00 10.00 N ATOM 1076 CA ALA A 95 8.994 0.666 -4.909 1.00 10.00 C ATOM 1077 C ALA A 95 9.281 0.554 -3.413 1.00 10.00 C ATOM 1078 O ALA A 95 10.435 0.505 -2.993 1.00 10.00 O ATOM 1079 CB ALA A 95 9.217 2.091 -5.385 1.00 10.00 C ATOM 0 H ALA A 95 6.935 0.973 -5.134 1.00 10.00 H new ATOM 0 HA ALA A 95 9.684 0.006 -5.434 1.00 10.00 H new ATOM 0 HB1 ALA A 95 10.236 2.398 -5.148 1.00 10.00 H new ATOM 0 HB2 ALA A 95 9.063 2.143 -6.463 1.00 10.00 H new ATOM 0 HB3 ALA A 95 8.512 2.756 -4.886 1.00 10.00 H new ATOM 1085 N PHE A 96 8.224 0.507 -2.614 1.00 10.00 N ATOM 1086 CA PHE A 96 8.354 0.398 -1.167 1.00 10.00 C ATOM 1087 C PHE A 96 8.206 -1.052 -0.722 1.00 10.00 C ATOM 1088 O PHE A 96 7.510 -1.348 0.248 1.00 10.00 O ATOM 1089 CB PHE A 96 7.308 1.274 -0.476 1.00 10.00 C ATOM 1090 CG PHE A 96 7.835 2.619 -0.062 1.00 10.00 C ATOM 1091 CD1 PHE A 96 7.919 3.662 -0.972 1.00 10.00 C ATOM 1092 CD2 PHE A 96 8.246 2.843 1.243 1.00 10.00 C ATOM 1093 CE1 PHE A 96 8.402 4.898 -0.590 1.00 10.00 C ATOM 1094 CE2 PHE A 96 8.730 4.077 1.630 1.00 10.00 C ATOM 1095 CZ PHE A 96 8.807 5.106 0.713 1.00 10.00 C ATOM 0 H PHE A 96 7.260 0.543 -2.946 1.00 10.00 H new ATOM 0 HA PHE A 96 9.347 0.745 -0.882 1.00 10.00 H new ATOM 0 HB2 PHE A 96 6.462 1.415 -1.148 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.932 0.752 0.404 1.00 10.00 H new ATOM 0 HD1 PHE A 96 7.603 3.506 -1.993 1.00 10.00 H new ATOM 0 HD2 PHE A 96 8.187 2.043 1.966 1.00 10.00 H new ATOM 0 HE1 PHE A 96 8.463 5.701 -1.310 1.00 10.00 H new ATOM 0 HE2 PHE A 96 9.048 4.237 2.650 1.00 10.00 H new ATOM 0 HZ PHE A 96 9.184 6.072 1.015 1.00 10.00 H new ATOM 1105 N LEU A 97 8.859 -1.950 -1.440 1.00 10.00 N ATOM 1106 CA LEU A 97 8.805 -3.362 -1.117 1.00 10.00 C ATOM 1107 C LEU A 97 10.165 -3.852 -0.651 1.00 10.00 C ATOM 1108 O LEU A 97 11.075 -4.040 -1.465 1.00 10.00 O ATOM 1109 CB LEU A 97 8.340 -4.172 -2.332 1.00 10.00 C ATOM 1110 CG LEU A 97 6.836 -4.122 -2.606 1.00 10.00 C ATOM 1111 CD1 LEU A 97 6.507 -4.813 -3.920 1.00 10.00 C ATOM 1112 CD2 LEU A 97 6.071 -4.765 -1.456 1.00 10.00 C ATOM 0 H LEU A 97 9.433 -1.724 -2.252 1.00 10.00 H new ATOM 0 HA LEU A 97 8.087 -3.502 -0.309 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.867 -3.809 -3.215 1.00 10.00 H new ATOM 0 HB3 LEU A 97 8.634 -5.212 -2.190 1.00 10.00 H new ATOM 0 HG LEU A 97 6.532 -3.078 -2.686 1.00 10.00 H new ATOM 0 HD11 LEU A 97 5.432 -4.766 -4.096 1.00 10.00 H new ATOM 0 HD12 LEU A 97 7.031 -4.313 -4.735 1.00 10.00 H new ATOM 0 HD13 LEU A 97 6.822 -5.855 -3.872 1.00 10.00 H new ATOM 0 HD21 LEU A 97 5.001 -4.724 -1.662 1.00 10.00 H new ATOM 0 HD22 LEU A 97 6.380 -5.805 -1.350 1.00 10.00 H new ATOM 0 HD23 LEU A 97 6.283 -4.227 -0.532 1.00 10.00 H new ATOM 1124 N PRO A 98 10.335 -4.034 0.668 1.00 10.00 N ATOM 1125 CA PRO A 98 11.599 -4.506 1.238 1.00 10.00 C ATOM 1126 C PRO A 98 11.961 -5.904 0.740 1.00 10.00 C ATOM 1127 O PRO A 98 13.114 -6.178 0.398 1.00 10.00 O ATOM 1128 CB PRO A 98 11.338 -4.517 2.750 1.00 10.00 C ATOM 1129 CG PRO A 98 9.858 -4.489 2.912 1.00 10.00 C ATOM 1130 CD PRO A 98 9.319 -3.772 1.711 1.00 10.00 C ATOM 0 HA PRO A 98 12.439 -3.873 0.953 1.00 10.00 H new ATOM 0 HB2 PRO A 98 11.764 -5.407 3.213 1.00 10.00 H new ATOM 0 HB3 PRO A 98 11.799 -3.655 3.232 1.00 10.00 H new ATOM 0 HG2 PRO A 98 9.454 -5.499 2.976 1.00 10.00 H new ATOM 0 HG3 PRO A 98 9.577 -3.975 3.831 1.00 10.00 H new ATOM 0 HD2 PRO A 98 8.340 -4.153 1.422 1.00 10.00 H new ATOM 0 HD3 PRO A 98 9.203 -2.705 1.899 1.00 10.00 H new ATOM 1138 N SER A 99 10.968 -6.777 0.695 1.00 10.00 N ATOM 1139 CA SER A 99 11.161 -8.138 0.236 1.00 10.00 C ATOM 1140 C SER A 99 11.110 -8.188 -1.290 1.00 10.00 C ATOM 1141 O SER A 99 10.030 -8.261 -1.887 1.00 10.00 O ATOM 1142 CB SER A 99 10.074 -9.030 0.836 1.00 10.00 C ATOM 1143 OG SER A 99 9.295 -8.302 1.774 1.00 10.00 O ATOM 0 H SER A 99 10.011 -6.561 0.975 1.00 10.00 H new ATOM 0 HA SER A 99 12.138 -8.498 0.559 1.00 10.00 H new ATOM 0 HB2 SER A 99 9.433 -9.415 0.043 1.00 10.00 H new ATOM 0 HB3 SER A 99 10.530 -9.891 1.324 1.00 10.00 H new ATOM 0 HG SER A 99 8.603 -8.886 2.148 1.00 10.00 H new ATOM 1149 N GLY A 100 12.273 -8.119 -1.920 1.00 10.00 N ATOM 1150 CA GLY A 100 12.330 -8.155 -3.366 1.00 10.00 C ATOM 1151 C GLY A 100 13.401 -9.094 -3.882 1.00 10.00 C ATOM 1152 O GLY A 100 13.740 -10.075 -3.221 1.00 10.00 O ATOM 0 H GLY A 100 13.178 -8.039 -1.456 1.00 10.00 H new ATOM 0 HA2 GLY A 100 11.361 -8.465 -3.757 1.00 10.00 H new ATOM 0 HA3 GLY A 100 12.520 -7.150 -3.744 1.00 10.00 H new ATOM 1156 N PRO A 101 13.962 -8.814 -5.068 1.00 10.00 N ATOM 1157 CA PRO A 101 15.005 -9.645 -5.671 1.00 10.00 C ATOM 1158 C PRO A 101 16.396 -9.315 -5.132 1.00 10.00 C ATOM 1159 O PRO A 101 17.410 -9.549 -5.799 1.00 10.00 O ATOM 1160 CB PRO A 101 14.897 -9.286 -7.152 1.00 10.00 C ATOM 1161 CG PRO A 101 14.444 -7.871 -7.172 1.00 10.00 C ATOM 1162 CD PRO A 101 13.619 -7.660 -5.924 1.00 10.00 C ATOM 0 HA PRO A 101 14.873 -10.706 -5.458 1.00 10.00 H new ATOM 0 HB2 PRO A 101 15.856 -9.401 -7.657 1.00 10.00 H new ATOM 0 HB3 PRO A 101 14.187 -9.935 -7.665 1.00 10.00 H new ATOM 0 HG2 PRO A 101 15.297 -7.192 -7.191 1.00 10.00 H new ATOM 0 HG3 PRO A 101 13.854 -7.667 -8.065 1.00 10.00 H new ATOM 0 HD2 PRO A 101 13.865 -6.716 -5.438 1.00 10.00 H new ATOM 0 HD3 PRO A 101 12.553 -7.634 -6.150 1.00 10.00 H new ATOM 1170 N SER A 102 16.436 -8.775 -3.920 1.00 10.00 N ATOM 1171 CA SER A 102 17.686 -8.413 -3.277 1.00 10.00 C ATOM 1172 C SER A 102 18.378 -9.643 -2.686 1.00 10.00 C ATOM 1173 O SER A 102 17.797 -10.732 -2.648 1.00 10.00 O ATOM 1174 CB SER A 102 17.400 -7.391 -2.184 1.00 10.00 C ATOM 1175 OG SER A 102 16.218 -6.664 -2.486 1.00 10.00 O ATOM 0 H SER A 102 15.606 -8.578 -3.361 1.00 10.00 H new ATOM 0 HA SER A 102 18.357 -7.983 -4.020 1.00 10.00 H new ATOM 0 HB2 SER A 102 17.289 -7.896 -1.224 1.00 10.00 H new ATOM 0 HB3 SER A 102 18.242 -6.706 -2.088 1.00 10.00 H new ATOM 0 HG SER A 102 16.044 -6.012 -1.775 1.00 10.00 H new ATOM 1181 N SER A 103 19.608 -9.461 -2.222 1.00 10.00 N ATOM 1182 CA SER A 103 20.388 -10.542 -1.630 1.00 10.00 C ATOM 1183 C SER A 103 19.700 -11.102 -0.388 1.00 10.00 C ATOM 1184 O SER A 103 19.352 -10.362 0.534 1.00 10.00 O ATOM 1185 CB SER A 103 21.786 -10.029 -1.283 1.00 10.00 C ATOM 1186 OG SER A 103 22.250 -9.138 -2.287 1.00 10.00 O ATOM 0 H SER A 103 20.092 -8.563 -2.245 1.00 10.00 H new ATOM 0 HA SER A 103 20.469 -11.352 -2.355 1.00 10.00 H new ATOM 0 HB2 SER A 103 21.765 -9.521 -0.319 1.00 10.00 H new ATOM 0 HB3 SER A 103 22.475 -10.868 -1.186 1.00 10.00 H new ATOM 0 HG SER A 103 23.145 -8.816 -2.051 1.00 10.00 H new ATOM 1192 N GLY A 104 19.483 -12.407 -0.385 1.00 10.00 N ATOM 1193 CA GLY A 104 18.837 -13.048 0.739 1.00 10.00 C ATOM 1194 C GLY A 104 17.932 -14.177 0.298 1.00 10.00 C ATOM 1195 O GLY A 104 18.127 -14.741 -0.781 1.00 10.00 O ATOM 0 H GLY A 104 19.744 -13.036 -1.144 1.00 10.00 H new ATOM 0 HA2 GLY A 104 19.594 -13.434 1.421 1.00 10.00 H new ATOM 0 HA3 GLY A 104 18.255 -12.311 1.293 1.00 10.00 H new