USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 533 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot -35:sc= 0.0178 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.13) USER MOD Set 2.1: A 38 ASN : amide:sc= 1.89 K(o=2.6,f=-0.44) USER MOD Set 2.2: A 51 TYR OH : rot -153:sc= 0.758 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 148:sc= 2 (180deg=1.24) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.468 F(o=-1.4,f=-0.47) USER MOD Single : A 19 THR OG1 : rot 37:sc= 0.405 USER MOD Single : A 22 SER OG : rot 86:sc=0.000816 USER MOD Single : A 24 ASN : amide:sc= 1.21 K(o=1.2,f=-0.087) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 32 GLN : amide:sc= -0.376 K(o=-0.38,f=-8.4!) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -0.0467 (180deg=-0.365) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -152:sc= 1.47 USER MOD Single : A 71 ASN : amide:sc= 0.75 K(o=0.75,f=-0.66) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0661 (180deg=-0.339) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 6 -8.591 3.428 4.469 1.00 0.00 N ATOM 24 CA LEU A 6 -7.464 4.139 3.872 1.00 0.00 C ATOM 25 C LEU A 6 -6.517 3.208 3.117 1.00 0.00 C ATOM 26 O LEU A 6 -5.607 3.671 2.423 1.00 0.00 O ATOM 27 CB LEU A 6 -6.675 4.896 4.951 1.00 0.00 C ATOM 28 CG LEU A 6 -7.448 5.971 5.734 1.00 0.00 C ATOM 29 CD1 LEU A 6 -8.284 6.831 4.799 1.00 0.00 C ATOM 30 CD2 LEU A 6 -8.313 5.350 6.821 1.00 0.00 C ATOM 0 HA LEU A 6 -7.885 4.842 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.285 4.169 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.816 5.370 4.477 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.716 6.615 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.820 7.583 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.632 7.325 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.000 6.203 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.846 6.136 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.032 4.668 6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.681 4.801 7.519 1.00 0.00 H new ATOM 42 N ARG A 7 -6.730 1.905 3.231 1.00 0.00 N ATOM 43 CA ARG A 7 -5.765 0.940 2.718 1.00 0.00 C ATOM 44 C ARG A 7 -5.742 0.917 1.195 1.00 0.00 C ATOM 45 O ARG A 7 -4.669 0.845 0.593 1.00 0.00 O ATOM 46 CB ARG A 7 -6.037 -0.456 3.274 1.00 0.00 C ATOM 47 CG ARG A 7 -4.868 -1.011 4.063 1.00 0.00 C ATOM 48 CD ARG A 7 -5.220 -2.304 4.776 1.00 0.00 C ATOM 49 NE ARG A 7 -6.348 -2.136 5.694 1.00 0.00 N ATOM 50 CZ ARG A 7 -6.234 -2.023 7.022 1.00 0.00 C ATOM 51 NH1 ARG A 7 -5.039 -2.041 7.598 1.00 0.00 N ATOM 52 NH2 ARG A 7 -7.320 -1.887 7.773 1.00 0.00 N ATOM 0 H ARG A 7 -7.554 1.493 3.670 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.780 1.259 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.918 -0.422 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.267 -1.132 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.028 -1.186 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.542 -0.272 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.464 -3.069 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.352 -2.660 5.330 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.285 -2.103 5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.199 -2.141 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.960 -1.954 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.242 -1.869 7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.232 -1.801 8.786 1.00 0.00 H new ATOM 66 N TYR A 8 -6.916 0.985 0.573 1.00 0.00 N ATOM 67 CA TYR A 8 -6.996 1.029 -0.884 1.00 0.00 C ATOM 68 C TYR A 8 -6.242 2.232 -1.442 1.00 0.00 C ATOM 69 O TYR A 8 -5.540 2.124 -2.450 1.00 0.00 O ATOM 70 CB TYR A 8 -8.450 1.074 -1.360 1.00 0.00 C ATOM 71 CG TYR A 8 -8.567 1.348 -2.843 1.00 0.00 C ATOM 72 CD1 TYR A 8 -8.217 0.380 -3.775 1.00 0.00 C ATOM 73 CD2 TYR A 8 -8.997 2.583 -3.307 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.292 0.637 -5.130 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.081 2.845 -4.659 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.725 1.870 -5.566 1.00 0.00 C ATOM 77 OH TYR A 8 -8.795 2.130 -6.916 1.00 0.00 O ATOM 0 H TYR A 8 -7.817 1.011 1.050 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.531 0.116 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.933 0.124 -1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.986 1.846 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.881 -0.589 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.270 3.351 -2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.013 -0.124 -5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.424 3.809 -5.005 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.120 3.044 -7.057 1.00 0.00 H new ATOM 87 N ALA A 9 -6.389 3.373 -0.780 1.00 0.00 N ATOM 88 CA ALA A 9 -5.736 4.598 -1.220 1.00 0.00 C ATOM 89 C ALA A 9 -4.227 4.418 -1.265 1.00 0.00 C ATOM 90 O ALA A 9 -3.582 4.756 -2.255 1.00 0.00 O ATOM 91 CB ALA A 9 -6.112 5.753 -0.308 1.00 0.00 C ATOM 0 H ALA A 9 -6.954 3.475 0.063 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.079 4.828 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.617 6.662 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.192 5.898 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.798 5.529 0.711 1.00 0.00 H new ATOM 97 N ILE A 10 -3.676 3.856 -0.199 1.00 0.00 N ATOM 98 CA ILE A 10 -2.242 3.615 -0.115 1.00 0.00 C ATOM 99 C ILE A 10 -1.796 2.623 -1.190 1.00 0.00 C ATOM 100 O ILE A 10 -0.757 2.810 -1.824 1.00 0.00 O ATOM 101 CB ILE A 10 -1.849 3.093 1.286 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.224 4.133 2.347 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.362 2.769 1.349 1.00 0.00 C ATOM 104 CD1 ILE A 10 -1.945 3.693 3.769 1.00 0.00 C ATOM 0 H ILE A 10 -4.202 3.557 0.622 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.734 4.565 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.396 2.171 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.675 5.053 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.284 4.368 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.111 2.404 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.125 2.003 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.216 3.668 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.238 4.484 4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.515 2.790 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.881 3.487 3.884 1.00 0.00 H new ATOM 116 N LEU A 11 -2.604 1.587 -1.404 1.00 0.00 N ATOM 117 CA LEU A 11 -2.311 0.573 -2.418 1.00 0.00 C ATOM 118 C LEU A 11 -2.102 1.195 -3.794 1.00 0.00 C ATOM 119 O LEU A 11 -1.105 0.918 -4.462 1.00 0.00 O ATOM 120 CB LEU A 11 -3.441 -0.457 -2.496 1.00 0.00 C ATOM 121 CG LEU A 11 -3.397 -1.568 -1.449 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.662 -2.410 -1.522 1.00 0.00 C ATOM 123 CD2 LEU A 11 -2.164 -2.440 -1.651 1.00 0.00 C ATOM 0 H LEU A 11 -3.469 1.426 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.387 0.079 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.392 0.067 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.424 -0.914 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.339 -1.113 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.618 -3.198 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.531 -1.779 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.745 -2.857 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.147 -3.227 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.195 -2.889 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.267 -1.829 -1.557 1.00 0.00 H new ATOM 135 N LYS A 12 -3.032 2.046 -4.216 1.00 0.00 N ATOM 136 CA LYS A 12 -2.981 2.588 -5.563 1.00 0.00 C ATOM 137 C LYS A 12 -1.852 3.608 -5.700 1.00 0.00 C ATOM 138 O LYS A 12 -1.272 3.749 -6.773 1.00 0.00 O ATOM 139 CB LYS A 12 -4.326 3.202 -5.971 1.00 0.00 C ATOM 140 CG LYS A 12 -4.485 4.671 -5.617 1.00 0.00 C ATOM 141 CD LYS A 12 -5.704 5.268 -6.300 1.00 0.00 C ATOM 142 CE LYS A 12 -5.604 6.783 -6.400 1.00 0.00 C ATOM 143 NZ LYS A 12 -4.387 7.210 -7.144 1.00 0.00 N ATOM 0 H LYS A 12 -3.818 2.370 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.775 1.761 -6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.452 3.086 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.127 2.638 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.580 4.780 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.592 5.219 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.807 4.843 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.602 4.998 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.491 7.173 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.587 7.213 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.585 8.094 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.607 7.364 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.118 6.470 -7.824 1.00 0.00 H new ATOM 157 N GLU A 13 -1.519 4.293 -4.611 1.00 0.00 N ATOM 158 CA GLU A 13 -0.436 5.270 -4.643 1.00 0.00 C ATOM 159 C GLU A 13 0.911 4.568 -4.778 1.00 0.00 C ATOM 160 O GLU A 13 1.853 5.109 -5.354 1.00 0.00 O ATOM 161 CB GLU A 13 -0.458 6.161 -3.399 1.00 0.00 C ATOM 162 CG GLU A 13 -1.699 7.034 -3.300 1.00 0.00 C ATOM 163 CD GLU A 13 -1.913 7.894 -4.532 1.00 0.00 C ATOM 164 OE1 GLU A 13 -2.357 7.359 -5.565 1.00 0.00 O ATOM 165 OE2 GLU A 13 -1.659 9.115 -4.466 1.00 0.00 O ATOM 0 H GLU A 13 -1.977 4.192 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.584 5.909 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.394 5.533 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.426 6.799 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.573 6.400 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.616 7.677 -2.424 1.00 0.00 H new ATOM 172 N ILE A 14 0.998 3.354 -4.252 1.00 0.00 N ATOM 173 CA ILE A 14 2.187 2.534 -4.434 1.00 0.00 C ATOM 174 C ILE A 14 2.285 2.077 -5.888 1.00 0.00 C ATOM 175 O ILE A 14 3.372 2.012 -6.464 1.00 0.00 O ATOM 176 CB ILE A 14 2.167 1.296 -3.505 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.133 1.727 -2.034 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.372 0.401 -3.768 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.014 0.570 -1.062 1.00 0.00 C ATOM 0 H ILE A 14 0.262 2.917 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 14 3.055 3.141 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 14 1.264 0.725 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.040 2.288 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.293 2.405 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.336 -0.462 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.355 0.062 -4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.289 0.962 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.996 0.953 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.093 0.022 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.867 -0.097 -1.184 1.00 0.00 H new ATOM 191 N PHE A 15 1.134 1.792 -6.477 1.00 0.00 N ATOM 192 CA PHE A 15 1.064 1.263 -7.833 1.00 0.00 C ATOM 193 C PHE A 15 1.260 2.362 -8.879 1.00 0.00 C ATOM 194 O PHE A 15 2.081 2.228 -9.787 1.00 0.00 O ATOM 195 CB PHE A 15 -0.291 0.577 -8.032 1.00 0.00 C ATOM 196 CG PHE A 15 -0.451 -0.118 -9.354 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.066 -1.390 -9.549 1.00 0.00 C ATOM 198 CD2 PHE A 15 -1.134 0.491 -10.397 1.00 0.00 C ATOM 199 CE1 PHE A 15 -0.095 -2.040 -10.758 1.00 0.00 C ATOM 200 CE2 PHE A 15 -1.295 -0.154 -11.607 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.774 -1.421 -11.786 1.00 0.00 C ATOM 0 H PHE A 15 0.225 1.920 -6.032 1.00 0.00 H new ATOM 0 HA PHE A 15 1.870 0.542 -7.966 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.436 -0.151 -7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.080 1.323 -7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.600 -1.878 -8.747 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.544 1.481 -10.261 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.310 -3.031 -10.897 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.827 0.331 -12.412 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.899 -1.927 -12.732 1.00 0.00 H new ATOM 211 N GLU A 16 0.514 3.453 -8.744 1.00 0.00 N ATOM 212 CA GLU A 16 0.553 4.531 -9.728 1.00 0.00 C ATOM 213 C GLU A 16 1.705 5.486 -9.444 1.00 0.00 C ATOM 214 O GLU A 16 2.368 5.966 -10.364 1.00 0.00 O ATOM 215 CB GLU A 16 -0.773 5.299 -9.743 1.00 0.00 C ATOM 216 CG GLU A 16 -1.982 4.420 -10.015 1.00 0.00 C ATOM 217 CD GLU A 16 -3.256 5.218 -10.211 1.00 0.00 C ATOM 218 OE1 GLU A 16 -3.864 5.643 -9.208 1.00 0.00 O ATOM 219 OE2 GLU A 16 -3.658 5.418 -11.376 1.00 0.00 O ATOM 0 H GLU A 16 -0.124 3.615 -7.965 1.00 0.00 H new ATOM 0 HA GLU A 16 0.709 4.082 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.905 5.798 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.723 6.079 -10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.795 3.818 -10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.117 3.728 -9.184 1.00 0.00 H new ATOM 226 N GLY A 17 1.945 5.751 -8.168 1.00 0.00 N ATOM 227 CA GLY A 17 3.004 6.664 -7.783 1.00 0.00 C ATOM 228 C GLY A 17 4.377 6.030 -7.875 1.00 0.00 C ATOM 229 O GLY A 17 5.386 6.734 -7.933 1.00 0.00 O ATOM 0 H GLY A 17 1.424 5.349 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.970 7.545 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.832 7.005 -6.762 1.00 0.00 H new ATOM 233 N ASN A 18 4.406 4.694 -7.872 1.00 0.00 N ATOM 234 CA ASN A 18 5.648 3.925 -8.005 1.00 0.00 C ATOM 235 C ASN A 18 6.556 4.145 -6.791 1.00 0.00 C ATOM 236 O ASN A 18 7.758 3.886 -6.848 1.00 0.00 O ATOM 237 CB ASN A 18 6.374 4.305 -9.306 1.00 0.00 C ATOM 238 CG ASN A 18 7.538 3.386 -9.647 1.00 0.00 C ATOM 239 OD1 ASN A 18 7.404 2.099 -9.351 1.00 0.00 O flip ATOM 240 ND2 ASN A 18 8.548 3.831 -10.193 1.00 0.00 N flip ATOM 0 H ASN A 18 3.571 4.116 -7.778 1.00 0.00 H new ATOM 0 HA ASN A 18 5.395 2.866 -8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.659 4.291 -10.128 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.742 5.327 -9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.616 4.826 -10.406 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.316 3.204 -10.433 1.00 0.00 H new ATOM 247 N THR A 19 5.951 4.597 -5.684 1.00 0.00 N ATOM 248 CA THR A 19 6.653 4.866 -4.416 1.00 0.00 C ATOM 249 C THR A 19 7.825 5.859 -4.573 1.00 0.00 C ATOM 250 O THR A 19 8.249 6.176 -5.685 1.00 0.00 O ATOM 251 CB THR A 19 7.122 3.559 -3.714 1.00 0.00 C ATOM 252 OG1 THR A 19 7.567 2.580 -4.659 1.00 0.00 O ATOM 253 CG2 THR A 19 5.998 2.977 -2.874 1.00 0.00 C ATOM 0 H THR A 19 4.950 4.789 -5.641 1.00 0.00 H new ATOM 0 HA THR A 19 5.916 5.345 -3.772 1.00 0.00 H new ATOM 0 HB THR A 19 7.963 3.820 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.039 3.025 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.342 2.063 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.699 3.700 -2.115 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.146 2.750 -3.514 1.00 0.00 H new ATOM 261 N PRO A 20 8.346 6.410 -3.459 1.00 0.00 N ATOM 262 CA PRO A 20 7.881 6.112 -2.101 1.00 0.00 C ATOM 263 C PRO A 20 6.607 6.872 -1.745 1.00 0.00 C ATOM 264 O PRO A 20 6.173 7.757 -2.483 1.00 0.00 O ATOM 265 CB PRO A 20 9.037 6.598 -1.233 1.00 0.00 C ATOM 266 CG PRO A 20 9.623 7.734 -1.994 1.00 0.00 C ATOM 267 CD PRO A 20 9.439 7.403 -3.452 1.00 0.00 C ATOM 0 HA PRO A 20 7.633 5.058 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.689 6.916 -0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.771 5.808 -1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.125 8.670 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.679 7.860 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.178 8.288 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.351 6.995 -3.887 1.00 0.00 H new ATOM 275 N LEU A 21 6.013 6.531 -0.615 1.00 0.00 N ATOM 276 CA LEU A 21 4.830 7.231 -0.152 1.00 0.00 C ATOM 277 C LEU A 21 4.968 7.543 1.328 1.00 0.00 C ATOM 278 O LEU A 21 5.103 6.636 2.147 1.00 0.00 O ATOM 279 CB LEU A 21 3.585 6.366 -0.391 1.00 0.00 C ATOM 280 CG LEU A 21 2.246 7.016 -0.035 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.909 8.121 -1.023 1.00 0.00 C ATOM 282 CD2 LEU A 21 1.142 5.970 -0.005 1.00 0.00 C ATOM 0 H LEU A 21 6.329 5.778 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 21 4.724 8.164 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.561 6.080 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.687 5.448 0.187 1.00 0.00 H new ATOM 0 HG LEU A 21 2.329 7.459 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.954 8.571 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.689 8.882 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.843 7.703 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.196 6.447 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.059 5.500 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.379 5.212 0.742 1.00 0.00 H new ATOM 294 N SER A 22 4.957 8.822 1.662 1.00 0.00 N ATOM 295 CA SER A 22 4.957 9.244 3.051 1.00 0.00 C ATOM 296 C SER A 22 3.532 9.292 3.591 1.00 0.00 C ATOM 297 O SER A 22 2.566 9.215 2.827 1.00 0.00 O ATOM 298 CB SER A 22 5.628 10.614 3.194 1.00 0.00 C ATOM 299 OG SER A 22 6.950 10.593 2.671 1.00 0.00 O ATOM 0 H SER A 22 4.948 9.588 0.988 1.00 0.00 H new ATOM 0 HA SER A 22 5.525 8.518 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.039 11.367 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.654 10.902 4.245 1.00 0.00 H new ATOM 0 HG SER A 22 6.924 10.773 1.708 1.00 0.00 H new ATOM 305 N GLU A 23 3.408 9.443 4.901 1.00 0.00 N ATOM 306 CA GLU A 23 2.113 9.614 5.534 1.00 0.00 C ATOM 307 C GLU A 23 1.484 10.930 5.070 1.00 0.00 C ATOM 308 O GLU A 23 0.296 10.992 4.758 1.00 0.00 O ATOM 309 CB GLU A 23 2.248 9.568 7.072 1.00 0.00 C ATOM 310 CG GLU A 23 3.053 10.713 7.692 1.00 0.00 C ATOM 311 CD GLU A 23 4.481 10.792 7.185 1.00 0.00 C ATOM 312 OE1 GLU A 23 5.339 10.049 7.692 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.738 11.590 6.255 1.00 0.00 O ATOM 0 H GLU A 23 4.196 9.450 5.549 1.00 0.00 H new ATOM 0 HA GLU A 23 1.458 8.794 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.249 9.570 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.716 8.624 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.549 11.656 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.066 10.592 8.775 1.00 0.00 H new ATOM 320 N ASN A 24 2.312 11.965 4.970 1.00 0.00 N ATOM 321 CA ASN A 24 1.862 13.280 4.524 1.00 0.00 C ATOM 322 C ASN A 24 1.533 13.280 3.035 1.00 0.00 C ATOM 323 O ASN A 24 0.827 14.164 2.550 1.00 0.00 O ATOM 324 CB ASN A 24 2.923 14.344 4.816 1.00 0.00 C ATOM 325 CG ASN A 24 2.996 14.719 6.285 1.00 0.00 C ATOM 326 OD1 ASN A 24 2.313 15.637 6.737 1.00 0.00 O ATOM 327 ND2 ASN A 24 3.821 14.013 7.040 1.00 0.00 N ATOM 0 H ASN A 24 3.306 11.918 5.194 1.00 0.00 H new ATOM 0 HA ASN A 24 0.954 13.518 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.897 13.977 4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.706 15.236 4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.908 14.222 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.371 13.259 6.628 1.00 0.00 H new ATOM 334 N ASP A 25 2.049 12.292 2.309 1.00 0.00 N ATOM 335 CA ASP A 25 1.782 12.185 0.876 1.00 0.00 C ATOM 336 C ASP A 25 0.372 11.669 0.631 1.00 0.00 C ATOM 337 O ASP A 25 -0.338 12.163 -0.246 1.00 0.00 O ATOM 338 CB ASP A 25 2.782 11.251 0.184 1.00 0.00 C ATOM 339 CG ASP A 25 4.145 11.875 -0.038 1.00 0.00 C ATOM 340 OD1 ASP A 25 4.210 13.066 -0.404 1.00 0.00 O ATOM 341 OD2 ASP A 25 5.161 11.168 0.143 1.00 0.00 O ATOM 0 H ASP A 25 2.650 11.559 2.685 1.00 0.00 H new ATOM 0 HA ASP A 25 1.887 13.185 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.899 10.349 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.372 10.943 -0.778 1.00 0.00 H new ATOM 346 N ILE A 26 -0.026 10.669 1.411 1.00 0.00 N ATOM 347 CA ILE A 26 -1.334 10.053 1.250 1.00 0.00 C ATOM 348 C ILE A 26 -2.389 10.801 2.077 1.00 0.00 C ATOM 349 O ILE A 26 -3.530 10.954 1.643 1.00 0.00 O ATOM 350 CB ILE A 26 -1.276 8.537 1.604 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.597 7.815 1.267 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.894 8.326 3.063 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.665 7.888 2.343 1.00 0.00 C ATOM 0 H ILE A 26 0.540 10.270 2.160 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.631 10.127 0.204 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.498 8.093 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.000 8.239 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.378 6.766 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.862 7.258 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.087 8.764 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.633 8.805 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.553 7.351 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.289 7.435 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.921 8.931 2.532 1.00 0.00 H new ATOM 365 N GLY A 27 -2.002 11.287 3.253 1.00 0.00 N ATOM 366 CA GLY A 27 -2.905 12.103 4.044 1.00 0.00 C ATOM 367 C GLY A 27 -3.172 11.536 5.421 1.00 0.00 C ATOM 368 O GLY A 27 -3.641 12.245 6.315 1.00 0.00 O ATOM 0 H GLY A 27 -1.084 11.131 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.485 13.104 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.850 12.207 3.512 1.00 0.00 H new ATOM 372 N VAL A 28 -2.877 10.261 5.601 1.00 0.00 N ATOM 373 CA VAL A 28 -3.098 9.608 6.882 1.00 0.00 C ATOM 374 C VAL A 28 -1.868 9.740 7.770 1.00 0.00 C ATOM 375 O VAL A 28 -0.777 10.025 7.286 1.00 0.00 O ATOM 376 CB VAL A 28 -3.448 8.117 6.708 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.694 7.962 5.855 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.281 7.350 6.105 1.00 0.00 C ATOM 0 H VAL A 28 -2.485 9.657 4.879 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.944 10.106 7.356 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.650 7.696 7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.928 6.903 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.530 8.469 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.520 8.402 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.554 6.301 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.037 7.768 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.414 7.431 6.761 1.00 0.00 H new ATOM 388 N THR A 29 -2.046 9.546 9.064 1.00 0.00 N ATOM 389 CA THR A 29 -0.941 9.658 9.999 1.00 0.00 C ATOM 390 C THR A 29 -0.165 8.344 10.097 1.00 0.00 C ATOM 391 O THR A 29 -0.512 7.348 9.455 1.00 0.00 O ATOM 392 CB THR A 29 -1.422 10.101 11.397 1.00 0.00 C ATOM 393 OG1 THR A 29 -0.304 10.414 12.237 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.274 9.021 12.053 1.00 0.00 C ATOM 0 H THR A 29 -2.942 9.311 9.491 1.00 0.00 H new ATOM 0 HA THR A 29 -0.272 10.427 9.613 1.00 0.00 H new ATOM 0 HB THR A 29 -2.034 10.994 11.270 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.626 10.695 13.119 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.599 9.361 13.036 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.147 8.819 11.432 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.687 8.109 12.160 1.00 0.00 H new ATOM 402 N GLU A 30 0.865 8.358 10.932 1.00 0.00 N ATOM 403 CA GLU A 30 1.801 7.244 11.059 1.00 0.00 C ATOM 404 C GLU A 30 1.079 5.972 11.479 1.00 0.00 C ATOM 405 O GLU A 30 1.334 4.896 10.938 1.00 0.00 O ATOM 406 CB GLU A 30 2.875 7.587 12.092 1.00 0.00 C ATOM 407 CG GLU A 30 3.318 9.036 12.032 1.00 0.00 C ATOM 408 CD GLU A 30 4.424 9.350 13.017 1.00 0.00 C ATOM 409 OE1 GLU A 30 4.114 9.667 14.184 1.00 0.00 O ATOM 410 OE2 GLU A 30 5.608 9.296 12.624 1.00 0.00 O ATOM 0 H GLU A 30 1.078 9.145 11.544 1.00 0.00 H new ATOM 0 HA GLU A 30 2.265 7.074 10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.493 7.371 13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.740 6.942 11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.660 9.266 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.463 9.682 12.234 1.00 0.00 H new ATOM 417 N ASP A 31 0.188 6.116 12.449 1.00 0.00 N ATOM 418 CA ASP A 31 -0.618 5.012 12.958 1.00 0.00 C ATOM 419 C ASP A 31 -1.425 4.350 11.851 1.00 0.00 C ATOM 420 O ASP A 31 -1.360 3.132 11.662 1.00 0.00 O ATOM 421 CB ASP A 31 -1.564 5.530 14.040 1.00 0.00 C ATOM 422 CG ASP A 31 -1.014 5.351 15.436 1.00 0.00 C ATOM 423 OD1 ASP A 31 -0.214 6.197 15.880 1.00 0.00 O ATOM 424 OD2 ASP A 31 -1.386 4.362 16.097 1.00 0.00 O ATOM 0 H ASP A 31 0.002 7.007 12.909 1.00 0.00 H new ATOM 0 HA ASP A 31 0.057 4.265 13.375 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.763 6.587 13.866 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.518 5.009 13.961 1.00 0.00 H new ATOM 429 N GLN A 32 -2.176 5.161 11.119 1.00 0.00 N ATOM 430 CA GLN A 32 -3.040 4.667 10.051 1.00 0.00 C ATOM 431 C GLN A 32 -2.211 4.027 8.944 1.00 0.00 C ATOM 432 O GLN A 32 -2.524 2.936 8.469 1.00 0.00 O ATOM 433 CB GLN A 32 -3.870 5.813 9.475 1.00 0.00 C ATOM 434 CG GLN A 32 -4.677 6.573 10.513 1.00 0.00 C ATOM 435 CD GLN A 32 -5.344 7.802 9.931 1.00 0.00 C ATOM 436 OE1 GLN A 32 -4.756 8.883 9.897 1.00 0.00 O ATOM 437 NE2 GLN A 32 -6.578 7.651 9.477 1.00 0.00 N ATOM 0 H GLN A 32 -2.205 6.173 11.246 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.707 3.914 10.470 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.204 6.510 8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.550 5.413 8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.437 5.914 10.934 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.023 6.870 11.333 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.030 6.738 9.523 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.077 8.448 9.081 1.00 0.00 H new ATOM 446 N PHE A 33 -1.147 4.717 8.549 1.00 0.00 N ATOM 447 CA PHE A 33 -0.248 4.230 7.513 1.00 0.00 C ATOM 448 C PHE A 33 0.357 2.892 7.928 1.00 0.00 C ATOM 449 O PHE A 33 0.408 1.946 7.143 1.00 0.00 O ATOM 450 CB PHE A 33 0.858 5.263 7.266 1.00 0.00 C ATOM 451 CG PHE A 33 1.716 4.976 6.067 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.300 5.349 4.799 1.00 0.00 C ATOM 453 CD2 PHE A 33 2.938 4.337 6.207 1.00 0.00 C ATOM 454 CE1 PHE A 33 2.086 5.092 3.695 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.728 4.077 5.105 1.00 0.00 C ATOM 456 CZ PHE A 33 3.300 4.453 3.848 1.00 0.00 C ATOM 0 H PHE A 33 -0.886 5.624 8.936 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.809 4.083 6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.401 6.245 7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.494 5.315 8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.350 5.847 4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.276 4.039 7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.752 5.390 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.679 3.580 5.226 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.915 4.247 2.984 1.00 0.00 H new ATOM 466 N ASP A 34 0.790 2.823 9.181 1.00 0.00 N ATOM 467 CA ASP A 34 1.380 1.610 9.738 1.00 0.00 C ATOM 468 C ASP A 34 0.407 0.440 9.657 1.00 0.00 C ATOM 469 O ASP A 34 0.722 -0.599 9.074 1.00 0.00 O ATOM 470 CB ASP A 34 1.790 1.847 11.196 1.00 0.00 C ATOM 471 CG ASP A 34 2.273 0.590 11.890 1.00 0.00 C ATOM 472 OD1 ASP A 34 1.426 -0.193 12.367 1.00 0.00 O ATOM 473 OD2 ASP A 34 3.501 0.395 11.986 1.00 0.00 O ATOM 0 H ASP A 34 0.743 3.602 9.838 1.00 0.00 H new ATOM 0 HA ASP A 34 2.263 1.362 9.150 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.579 2.598 11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.940 2.254 11.744 1.00 0.00 H new ATOM 478 N ASP A 35 -0.781 0.630 10.224 1.00 0.00 N ATOM 479 CA ASP A 35 -1.794 -0.425 10.277 1.00 0.00 C ATOM 480 C ASP A 35 -2.136 -0.910 8.878 1.00 0.00 C ATOM 481 O ASP A 35 -2.271 -2.111 8.632 1.00 0.00 O ATOM 482 CB ASP A 35 -3.059 0.087 10.976 1.00 0.00 C ATOM 483 CG ASP A 35 -4.164 -0.953 11.038 1.00 0.00 C ATOM 484 OD1 ASP A 35 -4.212 -1.720 12.021 1.00 0.00 O ATOM 485 OD2 ASP A 35 -5.002 -0.996 10.106 1.00 0.00 O ATOM 0 H ASP A 35 -1.069 1.508 10.656 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.387 -1.261 10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.806 0.401 11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.426 0.969 10.451 1.00 0.00 H new ATOM 490 N ALA A 36 -2.252 0.032 7.956 1.00 0.00 N ATOM 491 CA ALA A 36 -2.590 -0.284 6.584 1.00 0.00 C ATOM 492 C ALA A 36 -1.506 -1.119 5.911 1.00 0.00 C ATOM 493 O ALA A 36 -1.778 -2.224 5.440 1.00 0.00 O ATOM 494 CB ALA A 36 -2.842 0.986 5.799 1.00 0.00 C ATOM 0 H ALA A 36 -2.116 1.026 8.138 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.502 -0.881 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.095 0.733 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.668 1.535 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.945 1.605 5.811 1.00 0.00 H new ATOM 500 N VAL A 37 -0.284 -0.594 5.881 1.00 0.00 N ATOM 501 CA VAL A 37 0.815 -1.237 5.161 1.00 0.00 C ATOM 502 C VAL A 37 1.136 -2.618 5.732 1.00 0.00 C ATOM 503 O VAL A 37 1.351 -3.569 4.975 1.00 0.00 O ATOM 504 CB VAL A 37 2.091 -0.366 5.169 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.237 -1.063 4.447 1.00 0.00 C ATOM 506 CG2 VAL A 37 1.812 0.984 4.530 1.00 0.00 C ATOM 0 H VAL A 37 -0.028 0.276 6.347 1.00 0.00 H new ATOM 0 HA VAL A 37 0.478 -1.355 4.131 1.00 0.00 H new ATOM 0 HB VAL A 37 2.388 -0.213 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.122 -0.426 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.458 -2.008 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.953 -1.254 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.720 1.587 4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.487 0.839 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.029 1.496 5.089 1.00 0.00 H new ATOM 516 N ASN A 38 1.150 -2.734 7.060 1.00 0.00 N ATOM 517 CA ASN A 38 1.439 -4.016 7.701 1.00 0.00 C ATOM 518 C ASN A 38 0.406 -5.059 7.307 1.00 0.00 C ATOM 519 O ASN A 38 0.757 -6.176 6.937 1.00 0.00 O ATOM 520 CB ASN A 38 1.493 -3.895 9.227 1.00 0.00 C ATOM 521 CG ASN A 38 2.801 -3.312 9.729 1.00 0.00 C ATOM 522 OD1 ASN A 38 3.786 -4.029 9.912 1.00 0.00 O ATOM 523 ND2 ASN A 38 2.818 -2.015 9.974 1.00 0.00 N ATOM 0 H ASN A 38 0.967 -1.966 7.706 1.00 0.00 H new ATOM 0 HA ASN A 38 2.423 -4.331 7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.668 -3.268 9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.347 -4.880 9.670 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.667 -1.574 10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.982 -1.454 9.810 1.00 0.00 H new ATOM 530 N PHE A 39 -0.868 -4.683 7.364 1.00 0.00 N ATOM 531 CA PHE A 39 -1.948 -5.595 7.011 1.00 0.00 C ATOM 532 C PHE A 39 -1.870 -5.997 5.539 1.00 0.00 C ATOM 533 O PHE A 39 -2.139 -7.147 5.188 1.00 0.00 O ATOM 534 CB PHE A 39 -3.307 -4.959 7.314 1.00 0.00 C ATOM 535 CG PHE A 39 -4.478 -5.799 6.884 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.839 -6.930 7.597 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.213 -5.458 5.759 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.910 -7.705 7.196 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.287 -6.229 5.355 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.635 -7.354 6.073 1.00 0.00 C ATOM 0 H PHE A 39 -1.176 -3.754 7.651 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.838 -6.495 7.616 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.380 -4.772 8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.364 -3.991 6.817 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.277 -7.209 8.476 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.943 -4.580 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.181 -8.585 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.853 -5.951 4.478 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.472 -7.959 5.758 1.00 0.00 H new ATOM 550 N LEU A 40 -1.492 -5.052 4.683 1.00 0.00 N ATOM 551 CA LEU A 40 -1.366 -5.318 3.256 1.00 0.00 C ATOM 552 C LEU A 40 -0.315 -6.391 3.003 1.00 0.00 C ATOM 553 O LEU A 40 -0.545 -7.336 2.249 1.00 0.00 O ATOM 554 CB LEU A 40 -0.996 -4.038 2.503 1.00 0.00 C ATOM 555 CG LEU A 40 -2.068 -2.948 2.512 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.544 -1.676 1.857 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.324 -3.439 1.807 1.00 0.00 C ATOM 0 H LEU A 40 -1.268 -4.095 4.954 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.328 -5.676 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.082 -3.631 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.771 -4.296 1.468 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.321 -2.717 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.321 -0.912 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.672 -1.318 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.264 -1.887 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.079 -2.653 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.085 -3.695 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.708 -4.321 2.320 1.00 0.00 H new ATOM 569 N LYS A 41 0.834 -6.246 3.648 1.00 0.00 N ATOM 570 CA LYS A 41 1.916 -7.212 3.513 1.00 0.00 C ATOM 571 C LYS A 41 1.527 -8.529 4.179 1.00 0.00 C ATOM 572 O LYS A 41 1.818 -9.612 3.673 1.00 0.00 O ATOM 573 CB LYS A 41 3.195 -6.661 4.151 1.00 0.00 C ATOM 574 CG LYS A 41 4.420 -7.514 3.887 1.00 0.00 C ATOM 575 CD LYS A 41 4.988 -7.275 2.500 1.00 0.00 C ATOM 576 CE LYS A 41 6.171 -8.186 2.220 1.00 0.00 C ATOM 577 NZ LYS A 41 5.807 -9.623 2.322 1.00 0.00 N ATOM 0 H LYS A 41 1.042 -5.466 4.272 1.00 0.00 H new ATOM 0 HA LYS A 41 2.098 -7.391 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.375 -5.654 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.047 -6.576 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.183 -7.295 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.160 -8.567 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.212 -7.444 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.298 -6.234 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.558 -7.981 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.973 -7.965 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.535 -10.200 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.741 -9.894 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.890 -9.782 1.859 1.00 0.00 H new ATOM 591 N ARG A 42 0.849 -8.407 5.310 1.00 0.00 N ATOM 592 CA ARG A 42 0.419 -9.546 6.111 1.00 0.00 C ATOM 593 C ARG A 42 -0.540 -10.448 5.329 1.00 0.00 C ATOM 594 O ARG A 42 -0.444 -11.674 5.388 1.00 0.00 O ATOM 595 CB ARG A 42 -0.242 -9.015 7.385 1.00 0.00 C ATOM 596 CG ARG A 42 -0.542 -10.054 8.448 1.00 0.00 C ATOM 597 CD ARG A 42 -0.933 -9.363 9.746 1.00 0.00 C ATOM 598 NE ARG A 42 -1.358 -10.298 10.781 1.00 0.00 N ATOM 599 CZ ARG A 42 -1.575 -9.951 12.050 1.00 0.00 C ATOM 600 NH1 ARG A 42 -1.298 -8.725 12.470 1.00 0.00 N ATOM 601 NH2 ARG A 42 -2.038 -10.845 12.907 1.00 0.00 N ATOM 0 H ARG A 42 0.578 -7.505 5.703 1.00 0.00 H new ATOM 0 HA ARG A 42 1.284 -10.157 6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.406 -8.253 7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.174 -8.522 7.111 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.349 -10.706 8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.332 -10.685 8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.086 -8.783 10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.740 -8.657 9.547 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.497 -11.274 10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.915 -8.038 11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.467 -8.469 13.443 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.228 -11.798 12.597 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.205 -10.582 13.878 1.00 0.00 H new ATOM 615 N GLU A 43 -1.459 -9.836 4.592 1.00 0.00 N ATOM 616 CA GLU A 43 -2.410 -10.592 3.783 1.00 0.00 C ATOM 617 C GLU A 43 -1.729 -11.088 2.507 1.00 0.00 C ATOM 618 O GLU A 43 -1.916 -12.231 2.092 1.00 0.00 O ATOM 619 CB GLU A 43 -3.617 -9.710 3.443 1.00 0.00 C ATOM 620 CG GLU A 43 -4.925 -10.467 3.207 1.00 0.00 C ATOM 621 CD GLU A 43 -4.917 -11.338 1.963 1.00 0.00 C ATOM 622 OE1 GLU A 43 -4.807 -10.795 0.844 1.00 0.00 O ATOM 623 OE2 GLU A 43 -5.037 -12.574 2.098 1.00 0.00 O ATOM 0 H GLU A 43 -1.567 -8.823 4.537 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.758 -11.457 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.768 -8.998 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.384 -9.130 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.133 -11.093 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.741 -9.748 3.130 1.00 0.00 H new ATOM 630 N GLY A 44 -0.901 -10.235 1.918 1.00 0.00 N ATOM 631 CA GLY A 44 -0.196 -10.608 0.707 1.00 0.00 C ATOM 632 C GLY A 44 -0.563 -9.733 -0.474 1.00 0.00 C ATOM 633 O GLY A 44 -0.701 -10.219 -1.595 1.00 0.00 O ATOM 0 H GLY A 44 -0.705 -9.293 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.878 -10.544 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.418 -11.648 0.467 1.00 0.00 H new ATOM 637 N TYR A 45 -0.713 -8.439 -0.225 1.00 0.00 N ATOM 638 CA TYR A 45 -1.079 -7.493 -1.274 1.00 0.00 C ATOM 639 C TYR A 45 0.152 -6.890 -1.943 1.00 0.00 C ATOM 640 O TYR A 45 0.110 -6.535 -3.121 1.00 0.00 O ATOM 641 CB TYR A 45 -1.960 -6.371 -0.715 1.00 0.00 C ATOM 642 CG TYR A 45 -3.378 -6.803 -0.422 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.328 -6.845 -1.433 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.769 -7.163 0.860 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.624 -7.242 -1.179 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.064 -7.563 1.122 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.988 -7.597 0.101 1.00 0.00 C ATOM 648 OH TYR A 45 -7.277 -7.997 0.359 1.00 0.00 O ATOM 0 H TYR A 45 -0.587 -8.018 0.696 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.640 -8.050 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.509 -5.989 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.980 -5.547 -1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.047 -6.562 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.049 -7.130 1.665 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.349 -7.274 -1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.351 -7.848 2.123 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.896 -7.491 -0.207 1.00 0.00 H new ATOM 658 N ILE A 46 1.252 -6.775 -1.204 1.00 0.00 N ATOM 659 CA ILE A 46 2.449 -6.149 -1.748 1.00 0.00 C ATOM 660 C ILE A 46 3.716 -6.827 -1.246 1.00 0.00 C ATOM 661 O ILE A 46 3.707 -7.495 -0.216 1.00 0.00 O ATOM 662 CB ILE A 46 2.507 -4.629 -1.438 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.794 -4.290 -0.121 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.905 -3.829 -2.582 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.557 -4.690 1.119 1.00 0.00 C ATOM 0 H ILE A 46 1.338 -7.102 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 46 2.392 -6.273 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 46 3.557 -4.358 -1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.607 -3.217 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.822 -4.783 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.954 -2.766 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.464 -4.025 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.865 -4.122 -2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.983 -4.415 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.721 -5.768 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.519 -4.177 1.136 1.00 0.00 H new ATOM 677 N ILE A 47 4.786 -6.674 -2.011 1.00 0.00 N ATOM 678 CA ILE A 47 6.098 -7.192 -1.645 1.00 0.00 C ATOM 679 C ILE A 47 7.148 -6.110 -1.861 1.00 0.00 C ATOM 680 O ILE A 47 6.814 -5.004 -2.281 1.00 0.00 O ATOM 681 CB ILE A 47 6.483 -8.447 -2.463 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.390 -8.154 -3.965 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.599 -9.626 -2.080 1.00 0.00 C ATOM 684 CD1 ILE A 47 6.828 -9.309 -4.842 1.00 0.00 C ATOM 0 H ILE A 47 4.770 -6.186 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 47 6.055 -7.482 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 47 7.515 -8.711 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.361 -7.893 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.004 -7.283 -4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.884 -10.500 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.723 -9.844 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.556 -9.379 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.734 -9.026 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.867 -9.557 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.199 -10.176 -4.643 1.00 0.00 H new ATOM 696 N GLY A 48 8.406 -6.421 -1.577 1.00 0.00 N ATOM 697 CA GLY A 48 9.464 -5.434 -1.721 1.00 0.00 C ATOM 698 C GLY A 48 9.449 -4.431 -0.587 1.00 0.00 C ATOM 699 O GLY A 48 10.036 -3.353 -0.683 1.00 0.00 O ATOM 0 H GLY A 48 8.715 -7.337 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.430 -5.937 -1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.348 -4.912 -2.671 1.00 0.00 H new ATOM 703 N VAL A 49 8.771 -4.799 0.487 1.00 0.00 N ATOM 704 CA VAL A 49 8.619 -3.937 1.645 1.00 0.00 C ATOM 705 C VAL A 49 9.706 -4.233 2.668 1.00 0.00 C ATOM 706 O VAL A 49 9.812 -5.356 3.168 1.00 0.00 O ATOM 707 CB VAL A 49 7.232 -4.127 2.292 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.087 -3.278 3.542 1.00 0.00 C ATOM 709 CG2 VAL A 49 6.130 -3.800 1.298 1.00 0.00 C ATOM 0 H VAL A 49 8.311 -5.704 0.580 1.00 0.00 H new ATOM 0 HA VAL A 49 8.710 -2.903 1.312 1.00 0.00 H new ATOM 0 HB VAL A 49 7.140 -5.173 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.099 -3.434 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.850 -3.564 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.208 -2.226 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.159 -3.940 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.229 -2.764 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.211 -4.461 0.435 1.00 0.00 H new ATOM 719 N HIS A 50 10.513 -3.230 2.976 1.00 0.00 N ATOM 720 CA HIS A 50 11.630 -3.414 3.884 1.00 0.00 C ATOM 721 C HIS A 50 11.249 -3.032 5.312 1.00 0.00 C ATOM 722 O HIS A 50 11.018 -1.860 5.614 1.00 0.00 O ATOM 723 CB HIS A 50 12.830 -2.578 3.427 1.00 0.00 C ATOM 724 CG HIS A 50 14.105 -2.931 4.130 1.00 0.00 C ATOM 725 ND1 HIS A 50 14.487 -2.381 5.337 1.00 0.00 N ATOM 726 CD2 HIS A 50 15.082 -3.805 3.794 1.00 0.00 C ATOM 727 CE1 HIS A 50 15.642 -2.900 5.708 1.00 0.00 C ATOM 728 NE2 HIS A 50 16.021 -3.765 4.790 1.00 0.00 N ATOM 0 H HIS A 50 10.414 -2.283 2.611 1.00 0.00 H new ATOM 0 HA HIS A 50 11.900 -4.470 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.967 -2.710 2.354 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.612 -1.523 3.593 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.115 -4.419 2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.184 -2.657 6.610 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.878 -4.317 4.817 1.00 0.00 H new ATOM 737 N TYR A 51 11.162 -4.028 6.180 1.00 0.00 N ATOM 738 CA TYR A 51 11.007 -3.781 7.606 1.00 0.00 C ATOM 739 C TYR A 51 12.366 -3.438 8.193 1.00 0.00 C ATOM 740 O TYR A 51 13.357 -4.100 7.880 1.00 0.00 O ATOM 741 CB TYR A 51 10.428 -5.007 8.317 1.00 0.00 C ATOM 742 CG TYR A 51 8.932 -5.173 8.155 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.366 -5.466 6.920 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.085 -5.039 9.249 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.000 -5.619 6.780 1.00 0.00 C ATOM 746 CE2 TYR A 51 6.720 -5.194 9.117 1.00 0.00 C ATOM 747 CZ TYR A 51 6.182 -5.483 7.882 1.00 0.00 C ATOM 748 OH TYR A 51 4.823 -5.636 7.747 1.00 0.00 O ATOM 0 H TYR A 51 11.196 -5.014 5.923 1.00 0.00 H new ATOM 0 HA TYR A 51 10.314 -2.952 7.750 1.00 0.00 H new ATOM 0 HB2 TYR A 51 10.924 -5.900 7.937 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.661 -4.940 9.380 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.004 -5.576 6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.502 -4.810 10.218 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.575 -5.844 5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.076 -5.089 9.978 1.00 0.00 H new ATOM 0 HH TYR A 51 4.365 -5.117 8.440 1.00 0.00 H new ATOM 793 N ARG A 55 8.865 -1.242 11.967 1.00 0.00 N ATOM 794 CA ARG A 55 7.864 -0.889 10.979 1.00 0.00 C ATOM 795 C ARG A 55 8.417 -0.984 9.563 1.00 0.00 C ATOM 796 O ARG A 55 9.627 -0.864 9.341 1.00 0.00 O ATOM 797 CB ARG A 55 7.325 0.523 11.245 1.00 0.00 C ATOM 798 CG ARG A 55 8.375 1.620 11.157 1.00 0.00 C ATOM 799 CD ARG A 55 7.788 2.974 11.531 1.00 0.00 C ATOM 800 NE ARG A 55 6.674 3.366 10.661 1.00 0.00 N ATOM 801 CZ ARG A 55 5.418 3.516 11.087 1.00 0.00 C ATOM 802 NH1 ARG A 55 5.105 3.233 12.347 1.00 0.00 N ATOM 803 NH2 ARG A 55 4.475 3.939 10.247 1.00 0.00 N ATOM 0 HA ARG A 55 7.046 -1.604 11.066 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.531 0.737 10.529 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.874 0.546 12.237 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.207 1.385 11.821 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.777 1.662 10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.443 2.943 12.565 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.570 3.732 11.478 1.00 0.00 H new ATOM 0 HE ARG A 55 6.870 3.534 9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.825 2.901 12.989 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.145 3.348 12.672 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.712 4.149 9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.515 4.053 10.573 1.00 0.00 H new ATOM 817 N PRO A 56 7.525 -1.219 8.592 1.00 0.00 N ATOM 818 CA PRO A 56 7.876 -1.233 7.173 1.00 0.00 C ATOM 819 C PRO A 56 8.202 0.163 6.648 1.00 0.00 C ATOM 820 O PRO A 56 7.603 1.156 7.071 1.00 0.00 O ATOM 821 CB PRO A 56 6.611 -1.769 6.502 1.00 0.00 C ATOM 822 CG PRO A 56 5.506 -1.426 7.436 1.00 0.00 C ATOM 823 CD PRO A 56 6.095 -1.510 8.812 1.00 0.00 C ATOM 0 HA PRO A 56 8.766 -1.831 6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.458 -1.311 5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.674 -2.846 6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.121 -0.426 7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.671 -2.118 7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.638 -0.788 9.489 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.949 -2.497 9.252 1.00 0.00 H new ATOM 831 N HIS A 57 9.162 0.242 5.740 1.00 0.00 N ATOM 832 CA HIS A 57 9.511 1.507 5.112 1.00 0.00 C ATOM 833 C HIS A 57 9.410 1.384 3.601 1.00 0.00 C ATOM 834 O HIS A 57 10.058 0.530 2.993 1.00 0.00 O ATOM 835 CB HIS A 57 10.921 1.951 5.516 1.00 0.00 C ATOM 836 CG HIS A 57 11.059 2.257 6.977 1.00 0.00 C ATOM 837 ND1 HIS A 57 10.641 3.441 7.543 1.00 0.00 N ATOM 838 CD2 HIS A 57 11.557 1.517 7.993 1.00 0.00 C ATOM 839 CE1 HIS A 57 10.872 3.411 8.840 1.00 0.00 C ATOM 840 NE2 HIS A 57 11.430 2.258 9.143 1.00 0.00 N ATOM 0 H HIS A 57 9.713 -0.555 5.421 1.00 0.00 H new ATOM 0 HA HIS A 57 8.807 2.265 5.455 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.630 1.167 5.249 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.193 2.836 4.941 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.978 0.525 7.915 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.642 4.202 9.539 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.720 1.964 10.076 1.00 0.00 H new ATOM 849 N LEU A 58 8.574 2.224 3.005 1.00 0.00 N ATOM 850 CA LEU A 58 8.382 2.222 1.563 1.00 0.00 C ATOM 851 C LEU A 58 9.310 3.230 0.907 1.00 0.00 C ATOM 852 O LEU A 58 9.107 4.437 1.015 1.00 0.00 O ATOM 853 CB LEU A 58 6.926 2.544 1.213 1.00 0.00 C ATOM 854 CG LEU A 58 5.891 1.566 1.774 1.00 0.00 C ATOM 855 CD1 LEU A 58 4.487 1.990 1.374 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.175 0.151 1.296 1.00 0.00 C ATOM 0 H LEU A 58 8.016 2.918 3.502 1.00 0.00 H new ATOM 0 HA LEU A 58 8.618 1.227 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.693 3.544 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.827 2.571 0.128 1.00 0.00 H new ATOM 0 HG LEU A 58 5.961 1.581 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.764 1.284 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.282 2.986 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.407 2.005 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.428 -0.528 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.135 0.120 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.166 -0.154 1.632 1.00 0.00 H new ATOM 868 N TYR A 59 10.338 2.727 0.243 1.00 0.00 N ATOM 869 CA TYR A 59 11.315 3.582 -0.410 1.00 0.00 C ATOM 870 C TYR A 59 10.971 3.766 -1.880 1.00 0.00 C ATOM 871 O TYR A 59 9.919 3.322 -2.336 1.00 0.00 O ATOM 872 CB TYR A 59 12.721 3.000 -0.249 1.00 0.00 C ATOM 873 CG TYR A 59 13.168 2.920 1.193 1.00 0.00 C ATOM 874 CD1 TYR A 59 13.211 4.061 1.985 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.530 1.707 1.766 1.00 0.00 C ATOM 876 CE1 TYR A 59 13.604 3.995 3.305 1.00 0.00 C ATOM 877 CE2 TYR A 59 13.920 1.635 3.088 1.00 0.00 C ATOM 878 CZ TYR A 59 13.958 2.782 3.851 1.00 0.00 C ATOM 879 OH TYR A 59 14.342 2.713 5.169 1.00 0.00 O ATOM 0 H TYR A 59 10.517 1.728 0.142 1.00 0.00 H new ATOM 0 HA TYR A 59 11.291 4.562 0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.747 2.002 -0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.428 3.613 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.932 5.014 1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.506 0.808 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.634 4.891 3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.194 0.685 3.522 1.00 0.00 H new ATOM 0 HH TYR A 59 14.558 1.785 5.399 1.00 0.00 H new ATOM 889 N LYS A 60 11.860 4.425 -2.611 1.00 0.00 N ATOM 890 CA LYS A 60 11.606 4.778 -4.003 1.00 0.00 C ATOM 891 C LYS A 60 11.438 3.535 -4.870 1.00 0.00 C ATOM 892 O LYS A 60 10.492 3.435 -5.648 1.00 0.00 O ATOM 893 CB LYS A 60 12.742 5.640 -4.548 1.00 0.00 C ATOM 894 CG LYS A 60 13.064 6.846 -3.680 1.00 0.00 C ATOM 895 CD LYS A 60 14.035 7.788 -4.373 1.00 0.00 C ATOM 896 CE LYS A 60 13.391 8.457 -5.575 1.00 0.00 C ATOM 897 NZ LYS A 60 14.347 9.321 -6.314 1.00 0.00 N ATOM 0 H LYS A 60 12.769 4.728 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 60 10.676 5.345 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.637 5.026 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.478 5.983 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.144 7.380 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.492 6.512 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.373 8.548 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.918 7.234 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.999 7.694 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.543 9.056 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.865 9.757 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.702 10.066 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.144 8.746 -6.653 1.00 0.00 H new ATOM 911 N LEU A 61 12.362 2.596 -4.739 1.00 0.00 N ATOM 912 CA LEU A 61 12.302 1.356 -5.499 1.00 0.00 C ATOM 913 C LEU A 61 12.221 0.176 -4.544 1.00 0.00 C ATOM 914 O LEU A 61 12.839 0.191 -3.476 1.00 0.00 O ATOM 915 CB LEU A 61 13.522 1.195 -6.422 1.00 0.00 C ATOM 916 CG LEU A 61 13.646 2.217 -7.560 1.00 0.00 C ATOM 917 CD1 LEU A 61 14.217 3.532 -7.054 1.00 0.00 C ATOM 918 CD2 LEU A 61 14.510 1.661 -8.683 1.00 0.00 C ATOM 0 H LEU A 61 13.164 2.669 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 61 11.411 1.389 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.424 1.250 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.493 0.197 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 61 12.647 2.410 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.294 4.238 -7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.560 3.943 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.207 3.360 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.587 2.399 -9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.505 1.436 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.057 0.750 -9.073 1.00 0.00 H new ATOM 930 N GLY A 62 11.447 -0.830 -4.918 1.00 0.00 N ATOM 931 CA GLY A 62 11.308 -2.006 -4.086 1.00 0.00 C ATOM 932 C GLY A 62 9.902 -2.578 -4.114 1.00 0.00 C ATOM 933 O GLY A 62 9.697 -3.675 -4.636 1.00 0.00 O ATOM 0 H GLY A 62 10.911 -0.853 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.013 -2.768 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.573 -1.754 -3.059 1.00 0.00 H new ATOM 937 N PRO A 63 8.910 -1.850 -3.569 1.00 0.00 N ATOM 938 CA PRO A 63 7.527 -2.337 -3.455 1.00 0.00 C ATOM 939 C PRO A 63 6.905 -2.752 -4.792 1.00 0.00 C ATOM 940 O PRO A 63 6.881 -1.983 -5.751 1.00 0.00 O ATOM 941 CB PRO A 63 6.770 -1.139 -2.870 1.00 0.00 C ATOM 942 CG PRO A 63 7.814 -0.331 -2.182 1.00 0.00 C ATOM 943 CD PRO A 63 9.059 -0.497 -3.001 1.00 0.00 C ATOM 0 HA PRO A 63 7.483 -3.239 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.275 -0.563 -3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.996 -1.461 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.522 0.717 -2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.968 -0.678 -1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.132 0.261 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.957 -0.414 -2.390 1.00 0.00 H new ATOM 951 N GLU A 64 6.411 -3.984 -4.829 1.00 0.00 N ATOM 952 CA GLU A 64 5.686 -4.514 -5.978 1.00 0.00 C ATOM 953 C GLU A 64 4.312 -4.987 -5.525 1.00 0.00 C ATOM 954 O GLU A 64 4.179 -5.537 -4.431 1.00 0.00 O ATOM 955 CB GLU A 64 6.439 -5.698 -6.596 1.00 0.00 C ATOM 956 CG GLU A 64 7.787 -5.344 -7.196 1.00 0.00 C ATOM 957 CD GLU A 64 7.666 -4.507 -8.449 1.00 0.00 C ATOM 958 OE1 GLU A 64 7.120 -5.008 -9.455 1.00 0.00 O ATOM 959 OE2 GLU A 64 8.137 -3.353 -8.443 1.00 0.00 O ATOM 0 H GLU A 64 6.502 -4.647 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 64 5.592 -3.726 -6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.586 -6.459 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.816 -6.143 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.378 -4.802 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.329 -6.261 -7.427 1.00 0.00 H new ATOM 966 N LEU A 65 3.293 -4.776 -6.344 1.00 0.00 N ATOM 967 CA LEU A 65 1.955 -5.245 -6.004 1.00 0.00 C ATOM 968 C LEU A 65 1.737 -6.653 -6.535 1.00 0.00 C ATOM 969 O LEU A 65 2.138 -6.972 -7.655 1.00 0.00 O ATOM 970 CB LEU A 65 0.867 -4.306 -6.537 1.00 0.00 C ATOM 971 CG LEU A 65 0.722 -2.983 -5.778 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.804 -1.996 -6.188 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.659 -2.388 -5.994 1.00 0.00 C ATOM 0 H LEU A 65 3.363 -4.290 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 65 1.880 -5.255 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.080 -4.086 -7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.089 -4.830 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 65 0.843 -3.191 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.677 -1.066 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.784 -2.419 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.727 -1.795 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.740 -1.449 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.813 -2.202 -7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.416 -3.085 -5.634 1.00 0.00 H new ATOM 985 N THR A 66 1.108 -7.492 -5.726 1.00 0.00 N ATOM 986 CA THR A 66 0.893 -8.884 -6.082 1.00 0.00 C ATOM 987 C THR A 66 -0.329 -9.040 -6.977 1.00 0.00 C ATOM 988 O THR A 66 -0.996 -8.058 -7.310 1.00 0.00 O ATOM 989 CB THR A 66 0.690 -9.745 -4.822 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.419 -9.240 -4.063 1.00 0.00 O ATOM 991 CG2 THR A 66 1.942 -9.754 -3.958 1.00 0.00 C ATOM 0 H THR A 66 0.736 -7.230 -4.813 1.00 0.00 H new ATOM 0 HA THR A 66 1.781 -9.219 -6.619 1.00 0.00 H new ATOM 0 HB THR A 66 0.484 -10.768 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.292 -9.456 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.770 -10.370 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.775 -10.163 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.179 -8.736 -3.650 1.00 0.00 H new ATOM 999 N GLU A 67 -0.609 -10.282 -7.360 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.835 -10.620 -8.068 1.00 0.00 C ATOM 1001 C GLU A 67 -3.031 -10.136 -7.254 1.00 0.00 C ATOM 1002 O GLU A 67 -3.930 -9.473 -7.771 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.912 -12.140 -8.257 1.00 0.00 C ATOM 1004 CG GLU A 67 -3.107 -12.621 -9.068 1.00 0.00 C ATOM 1005 CD GLU A 67 -2.941 -12.393 -10.554 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -1.889 -12.787 -11.105 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -3.879 -11.868 -11.192 1.00 0.00 O ATOM 0 H GLU A 67 0.006 -11.078 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.844 -10.138 -9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.999 -12.478 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.942 -12.613 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.260 -13.684 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.004 -12.105 -8.725 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.998 -10.449 -5.963 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.053 -10.062 -5.038 1.00 0.00 C ATOM 1016 C LYS A 68 -4.223 -8.546 -5.010 1.00 0.00 C ATOM 1017 O LYS A 68 -5.334 -8.037 -5.162 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.734 -10.580 -3.631 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.843 -10.345 -2.619 1.00 0.00 C ATOM 1020 CD LYS A 68 -6.122 -11.069 -3.006 1.00 0.00 C ATOM 1021 CE LYS A 68 -7.255 -10.763 -2.038 1.00 0.00 C ATOM 1022 NZ LYS A 68 -6.962 -11.239 -0.660 1.00 0.00 N ATOM 0 H LYS A 68 -2.240 -10.977 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.988 -10.506 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.528 -11.649 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.824 -10.098 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.516 -10.684 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.041 -9.276 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.415 -10.776 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.940 -12.144 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.433 -9.688 -2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.172 -11.232 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.769 -11.024 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.801 -12.266 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.112 -10.760 -0.301 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.116 -7.834 -4.835 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.161 -6.386 -4.752 1.00 0.00 C ATOM 1038 C GLY A 69 -3.623 -5.737 -6.045 1.00 0.00 C ATOM 1039 O GLY A 69 -4.481 -4.852 -6.032 1.00 0.00 O ATOM 0 H GLY A 69 -2.183 -8.236 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.832 -6.094 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.170 -6.010 -4.496 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.066 -6.190 -7.162 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.378 -5.621 -8.468 1.00 0.00 C ATOM 1045 C GLU A 70 -4.858 -5.791 -8.810 1.00 0.00 C ATOM 1046 O GLU A 70 -5.507 -4.849 -9.270 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.498 -6.274 -9.537 1.00 0.00 C ATOM 1048 CG GLU A 70 -2.769 -5.781 -10.948 1.00 0.00 C ATOM 1049 CD GLU A 70 -1.807 -6.357 -11.964 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -1.712 -7.598 -12.062 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -1.142 -5.572 -12.671 1.00 0.00 O ATOM 0 H GLU A 70 -2.392 -6.955 -7.189 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.171 -4.551 -8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.452 -6.089 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.647 -7.353 -9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.789 -6.043 -11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.703 -4.693 -10.967 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.394 -6.982 -8.566 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.791 -7.268 -8.880 1.00 0.00 C ATOM 1060 C ASN A 71 -7.728 -6.577 -7.897 1.00 0.00 C ATOM 1061 O ASN A 71 -8.845 -6.192 -8.254 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.054 -8.777 -8.876 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.277 -9.510 -9.953 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -6.018 -8.973 -11.032 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -5.894 -10.741 -9.665 1.00 0.00 N ATOM 0 H ASN A 71 -4.885 -7.763 -8.153 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.988 -6.879 -9.879 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.789 -9.185 -7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.120 -8.956 -9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.364 -11.283 -10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.128 -11.150 -8.760 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.264 -6.409 -6.664 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.068 -5.787 -5.617 1.00 0.00 C ATOM 1074 C TYR A 72 -8.318 -4.318 -5.938 1.00 0.00 C ATOM 1075 O TYR A 72 -9.362 -3.765 -5.587 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.368 -5.918 -4.261 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.263 -5.649 -3.072 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.138 -6.624 -2.608 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -8.231 -4.427 -2.408 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.955 -6.390 -1.519 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -9.045 -4.187 -1.317 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.904 -5.171 -0.877 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.716 -4.937 0.211 1.00 0.00 O ATOM 0 H TYR A 72 -6.332 -6.696 -6.364 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.028 -6.301 -5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.958 -6.924 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.526 -5.227 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.180 -7.581 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.559 -3.654 -2.750 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.630 -7.158 -1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.008 -3.233 -0.812 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.557 -4.031 0.549 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.354 -3.695 -6.615 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.477 -2.299 -7.021 1.00 0.00 C ATOM 1095 C LEU A 73 -8.719 -2.093 -7.883 1.00 0.00 C ATOM 1096 O LEU A 73 -9.431 -1.101 -7.737 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.230 -1.853 -7.792 1.00 0.00 C ATOM 1098 CG LEU A 73 -4.919 -1.901 -7.006 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.751 -1.502 -7.892 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -4.993 -0.995 -5.787 1.00 0.00 C ATOM 0 H LEU A 73 -6.478 -4.138 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.573 -1.693 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.127 -2.482 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.386 -0.833 -8.143 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.761 -2.925 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.827 -1.542 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.683 -2.189 -8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.904 -0.488 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.051 -1.043 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.176 0.031 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.806 -1.323 -5.139 1.00 0.00 H new ATOM 1112 N LYS A 74 -8.982 -3.047 -8.768 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.142 -2.975 -9.647 1.00 0.00 C ATOM 1114 C LYS A 74 -11.432 -3.083 -8.841 1.00 0.00 C ATOM 1115 O LYS A 74 -12.377 -2.322 -9.063 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.077 -4.084 -10.706 1.00 0.00 C ATOM 1117 CG LYS A 74 -11.275 -4.120 -11.644 1.00 0.00 C ATOM 1118 CD LYS A 74 -11.396 -2.844 -12.461 1.00 0.00 C ATOM 1119 CE LYS A 74 -12.646 -2.853 -13.330 1.00 0.00 C ATOM 1120 NZ LYS A 74 -13.890 -2.939 -12.519 1.00 0.00 N ATOM 0 H LYS A 74 -8.407 -3.880 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.133 -2.010 -10.153 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.170 -3.954 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.994 -5.047 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.184 -4.974 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.186 -4.267 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.423 -1.984 -11.792 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.514 -2.730 -13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.671 -1.948 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.603 -3.697 -14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.706 -2.673 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.013 -3.913 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.821 -2.291 -11.708 1.00 0.00 H new