USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 HIS :FLIP no HE2:sc= -0.496 F(o=-1.2,f=-0.5) USER MOD Single : A 14 THR OG1 : rot 150:sc= -0.0135 USER MOD Single : A 17 SER OG : rot -57:sc= 0.656 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 27 GLN : amide:sc= -0.0631 K(o=-0.063,f=-1.6!) USER MOD Single : A 28 MET CE :methyl -176:sc= 0 (180deg=-0.00841) USER MOD Single : A 29 ASN : amide:sc= -8.68! C(o=-8.7!,f=-25!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.479 F(o=-1.7,f=-0.48) USER MOD Single : A 40 SER OG : rot -150:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.38 K(o=-2.4,f=-7.9!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.88) USER MOD Single : A 58 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.5) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= 0.166 (180deg=0.116) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.06 K(o=-0.06,f=-1.3) USER MOD Single : A 66 TYR OH : rot 90:sc= 0.503 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.211 -13.106 -7.354 1.00 0.00 N ATOM 60 CA GLY A 7 6.640 -11.776 -7.226 1.00 0.00 C ATOM 61 C GLY A 7 7.325 -10.991 -6.106 1.00 0.00 C ATOM 62 O GLY A 7 8.172 -11.530 -5.394 1.00 0.00 O ATOM 0 HA2 GLY A 7 6.745 -11.239 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.572 -11.853 -7.021 1.00 0.00 H new ATOM 66 N LEU A 8 6.933 -9.732 -5.984 1.00 0.00 N ATOM 67 CA LEU A 8 7.499 -8.867 -4.962 1.00 0.00 C ATOM 68 C LEU A 8 6.534 -8.785 -3.778 1.00 0.00 C ATOM 69 O LEU A 8 5.335 -8.582 -3.963 1.00 0.00 O ATOM 70 CB LEU A 8 7.864 -7.505 -5.555 1.00 0.00 C ATOM 71 CG LEU A 8 8.467 -6.490 -4.581 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.731 -5.855 -5.164 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.433 -5.438 -4.176 1.00 0.00 C ATOM 0 H LEU A 8 6.230 -9.289 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 8 8.432 -9.284 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.572 -7.663 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.966 -7.069 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 8 8.761 -7.019 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.139 -5.138 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.470 -6.631 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.485 -5.343 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.887 -4.729 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.087 -4.908 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.587 -5.927 -3.692 1.00 0.00 H new ATOM 85 N GLU A 9 7.093 -8.946 -2.588 1.00 0.00 N ATOM 86 CA GLU A 9 6.296 -8.892 -1.373 1.00 0.00 C ATOM 87 C GLU A 9 6.180 -7.449 -0.878 1.00 0.00 C ATOM 88 O GLU A 9 7.152 -6.696 -0.916 1.00 0.00 O ATOM 89 CB GLU A 9 6.886 -9.798 -0.290 1.00 0.00 C ATOM 90 CG GLU A 9 6.046 -9.742 0.988 1.00 0.00 C ATOM 91 CD GLU A 9 6.441 -10.862 1.952 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.354 -10.613 2.768 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.820 -11.943 1.852 1.00 0.00 O ATOM 0 H GLU A 9 8.088 -9.114 -2.438 1.00 0.00 H new ATOM 0 HA GLU A 9 5.295 -9.258 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.932 -10.824 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.909 -9.491 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.180 -8.775 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.989 -9.829 0.737 1.00 0.00 H new ATOM 100 N VAL A 10 4.983 -7.107 -0.426 1.00 0.00 N ATOM 101 CA VAL A 10 4.727 -5.767 0.076 1.00 0.00 C ATOM 102 C VAL A 10 3.819 -5.852 1.304 1.00 0.00 C ATOM 103 O VAL A 10 2.754 -6.465 1.252 1.00 0.00 O ATOM 104 CB VAL A 10 4.146 -4.893 -1.037 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.940 -3.456 -0.555 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.033 -4.932 -2.284 1.00 0.00 C ATOM 0 H VAL A 10 4.179 -7.734 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 10 5.657 -5.293 0.391 1.00 0.00 H new ATOM 0 HB VAL A 10 3.171 -5.298 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.526 -2.856 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.250 -3.451 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.897 -3.036 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.598 -4.303 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.028 -4.564 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.106 -5.957 -2.647 1.00 0.00 H new ATOM 116 N LEU A 11 4.274 -5.228 2.381 1.00 0.00 N ATOM 117 CA LEU A 11 3.516 -5.226 3.621 1.00 0.00 C ATOM 118 C LEU A 11 2.860 -3.856 3.810 1.00 0.00 C ATOM 119 O LEU A 11 3.370 -2.848 3.323 1.00 0.00 O ATOM 120 CB LEU A 11 4.404 -5.649 4.792 1.00 0.00 C ATOM 121 CG LEU A 11 4.861 -7.109 4.794 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.805 -7.390 3.624 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.487 -7.486 6.139 1.00 0.00 C ATOM 0 H LEU A 11 5.158 -4.720 2.421 1.00 0.00 H new ATOM 0 HA LEU A 11 2.713 -5.962 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.289 -5.012 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.864 -5.457 5.719 1.00 0.00 H new ATOM 0 HG LEU A 11 3.984 -7.741 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.115 -8.435 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.291 -7.186 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.683 -6.749 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.803 -8.529 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.351 -6.849 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.753 -7.349 6.933 1.00 0.00 H new ATOM 135 N VAL A 12 1.740 -3.865 4.517 1.00 0.00 N ATOM 136 CA VAL A 12 1.009 -2.636 4.776 1.00 0.00 C ATOM 137 C VAL A 12 0.545 -2.622 6.234 1.00 0.00 C ATOM 138 O VAL A 12 -0.018 -3.602 6.719 1.00 0.00 O ATOM 139 CB VAL A 12 -0.143 -2.493 3.780 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.051 -1.321 4.157 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.382 -2.342 2.351 1.00 0.00 C ATOM 0 H VAL A 12 1.321 -4.704 4.919 1.00 0.00 H new ATOM 0 HA VAL A 12 1.654 -1.769 4.632 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.738 -3.405 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.862 -1.241 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.467 -1.488 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.472 -0.397 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.458 -2.242 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.011 -1.454 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.967 -3.222 2.084 1.00 0.00 H new ATOM 151 N LYS A 13 0.798 -1.500 6.891 1.00 0.00 N ATOM 152 CA LYS A 13 0.413 -1.345 8.284 1.00 0.00 C ATOM 153 C LYS A 13 -0.710 -0.311 8.386 1.00 0.00 C ATOM 154 O LYS A 13 -0.749 0.646 7.614 1.00 0.00 O ATOM 155 CB LYS A 13 1.635 -1.013 9.144 1.00 0.00 C ATOM 156 CG LYS A 13 1.213 -0.566 10.545 1.00 0.00 C ATOM 157 CD LYS A 13 2.435 -0.268 11.416 1.00 0.00 C ATOM 158 CE LYS A 13 2.021 0.373 12.742 1.00 0.00 C ATOM 159 NZ LYS A 13 2.453 1.787 12.792 1.00 0.00 N ATOM 0 H LYS A 13 1.265 -0.689 6.485 1.00 0.00 H new ATOM 0 HA LYS A 13 0.020 -2.283 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.282 -1.887 9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.217 -0.225 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.587 0.323 10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.610 -1.344 11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.982 -1.191 11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.113 0.398 10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.939 0.313 12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.463 -0.178 13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.164 2.206 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.488 1.837 12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.011 2.313 12.011 1.00 0.00 H new ATOM 173 N THR A 14 -1.596 -0.539 9.344 1.00 0.00 N ATOM 174 CA THR A 14 -2.716 0.360 9.557 1.00 0.00 C ATOM 175 C THR A 14 -2.589 1.059 10.913 1.00 0.00 C ATOM 176 O THR A 14 -1.546 0.981 11.560 1.00 0.00 O ATOM 177 CB THR A 14 -4.007 -0.449 9.410 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.810 -1.575 10.260 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.159 -1.058 8.014 1.00 0.00 C ATOM 0 H THR A 14 -1.560 -1.334 9.982 1.00 0.00 H new ATOM 0 HA THR A 14 -2.729 1.158 8.815 1.00 0.00 H new ATOM 0 HB THR A 14 -4.863 0.191 9.623 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.675 -1.876 10.610 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.091 -1.622 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.175 -0.262 7.270 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.320 -1.725 7.815 1.00 0.00 H new ATOM 187 N LEU A 15 -3.666 1.726 11.302 1.00 0.00 N ATOM 188 CA LEU A 15 -3.688 2.438 12.568 1.00 0.00 C ATOM 189 C LEU A 15 -3.934 1.442 13.704 1.00 0.00 C ATOM 190 O LEU A 15 -3.590 1.710 14.854 1.00 0.00 O ATOM 191 CB LEU A 15 -4.704 3.581 12.522 1.00 0.00 C ATOM 192 CG LEU A 15 -4.231 4.872 11.851 1.00 0.00 C ATOM 193 CD1 LEU A 15 -5.116 5.223 10.653 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.152 6.019 12.861 1.00 0.00 C ATOM 0 H LEU A 15 -4.529 1.788 10.763 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.723 2.907 12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.594 3.229 12.000 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.005 3.815 13.543 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.223 4.709 11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.758 6.145 10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.077 4.415 9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.144 5.360 10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.813 6.924 12.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.138 6.191 13.294 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.449 5.759 13.652 1.00 0.00 H new ATOM 206 N ASP A 16 -4.527 0.314 13.341 1.00 0.00 N ATOM 207 CA ASP A 16 -4.822 -0.722 14.315 1.00 0.00 C ATOM 208 C ASP A 16 -3.626 -1.670 14.424 1.00 0.00 C ATOM 209 O ASP A 16 -3.714 -2.715 15.066 1.00 0.00 O ATOM 210 CB ASP A 16 -6.040 -1.545 13.892 1.00 0.00 C ATOM 211 CG ASP A 16 -6.988 -1.930 15.029 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.486 -2.062 16.166 1.00 0.00 O ATOM 213 OD2 ASP A 16 -8.193 -2.084 14.736 1.00 0.00 O ATOM 0 H ASP A 16 -4.811 0.095 12.386 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.027 -0.238 15.270 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.601 -0.980 13.148 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.692 -2.456 13.405 1.00 0.00 H new ATOM 218 N SER A 17 -2.535 -1.271 13.786 1.00 0.00 N ATOM 219 CA SER A 17 -1.323 -2.071 13.803 1.00 0.00 C ATOM 220 C SER A 17 -1.620 -3.481 13.288 1.00 0.00 C ATOM 221 O SER A 17 -1.527 -4.452 14.038 1.00 0.00 O ATOM 222 CB SER A 17 -0.724 -2.135 15.209 1.00 0.00 C ATOM 223 OG SER A 17 0.354 -3.063 15.289 1.00 0.00 O ATOM 0 H SER A 17 -2.466 -0.404 13.254 1.00 0.00 H new ATOM 0 HA SER A 17 -0.592 -1.598 13.148 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.372 -1.145 15.498 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.499 -2.418 15.921 1.00 0.00 H new ATOM 0 HG SER A 17 0.045 -3.949 15.006 1.00 0.00 H new ATOM 229 N GLN A 18 -1.971 -3.550 12.012 1.00 0.00 N ATOM 230 CA GLN A 18 -2.283 -4.825 11.389 1.00 0.00 C ATOM 231 C GLN A 18 -1.490 -4.988 10.090 1.00 0.00 C ATOM 232 O GLN A 18 -1.987 -4.668 9.012 1.00 0.00 O ATOM 233 CB GLN A 18 -3.785 -4.959 11.135 1.00 0.00 C ATOM 234 CG GLN A 18 -4.505 -5.495 12.374 1.00 0.00 C ATOM 235 CD GLN A 18 -5.372 -6.706 12.024 1.00 0.00 C ATOM 236 OE1 GLN A 18 -4.930 -7.843 12.038 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.627 -6.400 11.709 1.00 0.00 N ATOM 0 H GLN A 18 -2.046 -2.743 11.393 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.992 -5.622 12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.199 -3.989 10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.957 -5.629 10.292 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.773 -5.774 13.132 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.127 -4.711 12.805 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.932 -5.427 11.717 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.285 -7.139 11.459 1.00 0.00 H new ATOM 246 N THR A 19 -0.271 -5.486 10.237 1.00 0.00 N ATOM 247 CA THR A 19 0.595 -5.695 9.089 1.00 0.00 C ATOM 248 C THR A 19 0.070 -6.847 8.229 1.00 0.00 C ATOM 249 O THR A 19 -0.223 -7.926 8.741 1.00 0.00 O ATOM 250 CB THR A 19 2.017 -5.921 9.605 1.00 0.00 C ATOM 251 OG1 THR A 19 2.249 -4.819 10.478 1.00 0.00 O ATOM 252 CG2 THR A 19 3.071 -5.755 8.508 1.00 0.00 C ATOM 0 H THR A 19 0.137 -5.751 11.133 1.00 0.00 H new ATOM 0 HA THR A 19 0.606 -4.822 8.437 1.00 0.00 H new ATOM 0 HB THR A 19 2.093 -6.920 10.034 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.149 -4.887 10.859 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.063 -5.926 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.884 -6.476 7.712 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.018 -4.745 8.102 1.00 0.00 H new ATOM 260 N ARG A 20 -0.031 -6.578 6.935 1.00 0.00 N ATOM 261 CA ARG A 20 -0.515 -7.579 5.999 1.00 0.00 C ATOM 262 C ARG A 20 0.463 -7.731 4.832 1.00 0.00 C ATOM 263 O ARG A 20 0.776 -6.757 4.149 1.00 0.00 O ATOM 264 CB ARG A 20 -1.894 -7.201 5.453 1.00 0.00 C ATOM 265 CG ARG A 20 -3.005 -7.706 6.376 1.00 0.00 C ATOM 266 CD ARG A 20 -4.327 -6.993 6.083 1.00 0.00 C ATOM 267 NE ARG A 20 -5.226 -7.092 7.254 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.543 -6.845 7.214 1.00 0.00 C ATOM 269 NH1 ARG A 20 -7.121 -6.483 6.061 1.00 0.00 N ATOM 270 NH2 ARG A 20 -7.280 -6.961 8.327 1.00 0.00 N ATOM 0 H ARG A 20 0.214 -5.682 6.513 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.595 -8.524 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.965 -6.118 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.023 -7.624 4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.131 -8.781 6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.722 -7.542 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.140 -5.946 5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.804 -7.438 5.210 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.818 -7.365 8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.559 -6.395 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.123 -6.295 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.839 -7.237 9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.282 -6.773 8.297 1.00 0.00 H new ATOM 284 N THR A 21 0.919 -8.960 4.641 1.00 0.00 N ATOM 285 CA THR A 21 1.855 -9.252 3.569 1.00 0.00 C ATOM 286 C THR A 21 1.110 -9.437 2.246 1.00 0.00 C ATOM 287 O THR A 21 0.115 -10.157 2.184 1.00 0.00 O ATOM 288 CB THR A 21 2.677 -10.476 3.979 1.00 0.00 C ATOM 289 OG1 THR A 21 3.799 -9.927 4.665 1.00 0.00 O ATOM 290 CG2 THR A 21 3.291 -11.199 2.778 1.00 0.00 C ATOM 0 H THR A 21 0.658 -9.765 5.210 1.00 0.00 H new ATOM 0 HA THR A 21 2.541 -8.421 3.406 1.00 0.00 H new ATOM 0 HB THR A 21 2.044 -11.168 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.385 -10.652 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.864 -12.059 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.497 -11.536 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.950 -10.517 2.241 1.00 0.00 H new ATOM 298 N PHE A 22 1.621 -8.773 1.219 1.00 0.00 N ATOM 299 CA PHE A 22 1.016 -8.855 -0.100 1.00 0.00 C ATOM 300 C PHE A 22 2.063 -9.192 -1.164 1.00 0.00 C ATOM 301 O PHE A 22 3.196 -8.719 -1.096 1.00 0.00 O ATOM 302 CB PHE A 22 0.421 -7.478 -0.405 1.00 0.00 C ATOM 303 CG PHE A 22 -0.783 -7.114 0.466 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.903 -7.883 0.434 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.732 -6.019 1.272 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.021 -7.545 1.242 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.849 -5.681 2.080 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.970 -6.451 2.048 1.00 0.00 C ATOM 0 H PHE A 22 2.446 -8.176 1.274 1.00 0.00 H new ATOM 0 HA PHE A 22 0.258 -9.638 -0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.195 -6.722 -0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.121 -7.447 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.943 -8.752 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.158 -5.407 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.911 -8.156 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.809 -4.812 2.720 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.820 -6.193 2.663 1.00 0.00 H new ATOM 318 N ILE A 23 1.646 -10.007 -2.121 1.00 0.00 N ATOM 319 CA ILE A 23 2.534 -10.414 -3.197 1.00 0.00 C ATOM 320 C ILE A 23 1.999 -9.872 -4.525 1.00 0.00 C ATOM 321 O ILE A 23 1.031 -10.400 -5.069 1.00 0.00 O ATOM 322 CB ILE A 23 2.730 -11.931 -3.186 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.339 -12.395 -1.861 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.559 -12.385 -4.389 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.844 -12.121 -1.824 1.00 0.00 C ATOM 0 H ILE A 23 0.705 -10.397 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 23 3.527 -9.987 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 23 1.752 -12.403 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.852 -11.881 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.156 -13.461 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.684 -13.467 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.047 -12.105 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.538 -11.906 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.252 -12.460 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.331 -12.656 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.022 -11.051 -1.935 1.00 0.00 H new ATOM 337 N VAL A 24 2.654 -8.827 -5.007 1.00 0.00 N ATOM 338 CA VAL A 24 2.257 -8.208 -6.261 1.00 0.00 C ATOM 339 C VAL A 24 3.469 -8.128 -7.191 1.00 0.00 C ATOM 340 O VAL A 24 4.608 -8.262 -6.746 1.00 0.00 O ATOM 341 CB VAL A 24 1.618 -6.844 -5.992 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.320 -6.994 -5.197 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.596 -5.912 -5.275 1.00 0.00 C ATOM 0 H VAL A 24 3.457 -8.393 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 24 1.501 -8.812 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 24 1.371 -6.394 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.114 -6.010 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.384 -7.604 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.532 -7.475 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.117 -4.950 -5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.888 -6.354 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.481 -5.767 -5.895 1.00 0.00 H new ATOM 353 N GLY A 25 3.183 -7.909 -8.466 1.00 0.00 N ATOM 354 CA GLY A 25 4.235 -7.809 -9.463 1.00 0.00 C ATOM 355 C GLY A 25 5.021 -6.506 -9.302 1.00 0.00 C ATOM 356 O GLY A 25 4.446 -5.420 -9.357 1.00 0.00 O ATOM 0 H GLY A 25 2.237 -7.798 -8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.911 -8.659 -9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.800 -7.855 -10.461 1.00 0.00 H new ATOM 360 N ALA A 26 6.322 -6.658 -9.107 1.00 0.00 N ATOM 361 CA ALA A 26 7.193 -5.507 -8.937 1.00 0.00 C ATOM 362 C ALA A 26 6.808 -4.429 -9.952 1.00 0.00 C ATOM 363 O ALA A 26 6.784 -3.243 -9.624 1.00 0.00 O ATOM 364 CB ALA A 26 8.652 -5.946 -9.077 1.00 0.00 C ATOM 0 H ALA A 26 6.795 -7.561 -9.063 1.00 0.00 H new ATOM 0 HA ALA A 26 7.076 -5.080 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.305 -5.083 -8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.882 -6.691 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.809 -6.377 -10.066 1.00 0.00 H new ATOM 370 N GLN A 27 6.517 -4.878 -11.164 1.00 0.00 N ATOM 371 CA GLN A 27 6.135 -3.966 -12.228 1.00 0.00 C ATOM 372 C GLN A 27 4.942 -3.112 -11.793 1.00 0.00 C ATOM 373 O GLN A 27 4.924 -1.904 -12.020 1.00 0.00 O ATOM 374 CB GLN A 27 5.822 -4.728 -13.518 1.00 0.00 C ATOM 375 CG GLN A 27 7.091 -5.344 -14.112 1.00 0.00 C ATOM 376 CD GLN A 27 7.924 -4.287 -14.840 1.00 0.00 C ATOM 377 OE1 GLN A 27 7.522 -3.147 -15.005 1.00 0.00 O ATOM 378 NE2 GLN A 27 9.105 -4.728 -15.265 1.00 0.00 N ATOM 0 H GLN A 27 6.538 -5.862 -11.433 1.00 0.00 H new ATOM 0 HA GLN A 27 6.976 -3.304 -12.431 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.094 -5.513 -13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.368 -4.052 -14.243 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.685 -5.798 -13.319 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.823 -6.141 -14.805 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.380 -5.695 -15.094 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.735 -4.099 -15.762 1.00 0.00 H new ATOM 387 N MET A 28 3.975 -3.775 -11.175 1.00 0.00 N ATOM 388 CA MET A 28 2.782 -3.092 -10.706 1.00 0.00 C ATOM 389 C MET A 28 3.122 -1.701 -10.167 1.00 0.00 C ATOM 390 O MET A 28 4.207 -1.489 -9.627 1.00 0.00 O ATOM 391 CB MET A 28 2.120 -3.920 -9.603 1.00 0.00 C ATOM 392 CG MET A 28 0.852 -3.235 -9.089 1.00 0.00 C ATOM 393 SD MET A 28 0.117 -4.209 -7.787 1.00 0.00 S ATOM 394 CE MET A 28 -0.793 -5.395 -8.763 1.00 0.00 C ATOM 0 H MET A 28 3.994 -4.778 -10.989 1.00 0.00 H new ATOM 0 HA MET A 28 2.098 -2.977 -11.547 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.873 -4.910 -9.985 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.820 -4.062 -8.780 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.092 -2.239 -8.718 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.141 -3.108 -9.905 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.372 -6.041 -8.103 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.467 -4.869 -9.439 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.096 -6.000 -9.343 1.00 0.00 H new ATOM 404 N ASN A 29 2.175 -0.789 -10.332 1.00 0.00 N ATOM 405 CA ASN A 29 2.360 0.575 -9.868 1.00 0.00 C ATOM 406 C ASN A 29 1.679 0.745 -8.509 1.00 0.00 C ATOM 407 O ASN A 29 0.934 -0.131 -8.071 1.00 0.00 O ATOM 408 CB ASN A 29 1.733 1.577 -10.840 1.00 0.00 C ATOM 409 CG ASN A 29 0.362 1.094 -11.316 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.145 -0.077 -11.580 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.548 2.059 -11.412 1.00 0.00 N ATOM 0 H ASN A 29 1.277 -0.968 -10.781 1.00 0.00 H new ATOM 0 HA ASN A 29 3.431 0.764 -9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.632 2.547 -10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.391 1.718 -11.698 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.494 1.839 -11.722 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.300 3.020 -11.175 1.00 0.00 H new ATOM 418 N VAL A 30 1.958 1.877 -7.880 1.00 0.00 N ATOM 419 CA VAL A 30 1.381 2.172 -6.580 1.00 0.00 C ATOM 420 C VAL A 30 -0.144 2.092 -6.673 1.00 0.00 C ATOM 421 O VAL A 30 -0.785 1.434 -5.855 1.00 0.00 O ATOM 422 CB VAL A 30 1.879 3.531 -6.083 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.981 4.070 -4.968 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.335 3.446 -5.621 1.00 0.00 C ATOM 0 H VAL A 30 2.576 2.601 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 30 1.701 1.434 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 30 1.833 4.230 -6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.357 5.037 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.035 4.187 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.980 3.371 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.664 4.425 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.417 2.725 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.963 3.127 -6.453 1.00 0.00 H new ATOM 434 N LYS A 31 -0.680 2.770 -7.677 1.00 0.00 N ATOM 435 CA LYS A 31 -2.118 2.784 -7.887 1.00 0.00 C ATOM 436 C LYS A 31 -2.640 1.346 -7.901 1.00 0.00 C ATOM 437 O LYS A 31 -3.364 0.936 -6.995 1.00 0.00 O ATOM 438 CB LYS A 31 -2.467 3.577 -9.148 1.00 0.00 C ATOM 439 CG LYS A 31 -3.982 3.736 -9.294 1.00 0.00 C ATOM 440 CD LYS A 31 -4.332 5.063 -9.970 1.00 0.00 C ATOM 441 CE LYS A 31 -4.838 6.082 -8.947 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.374 7.280 -9.631 1.00 0.00 N ATOM 0 H LYS A 31 -0.145 3.314 -8.354 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.619 3.298 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.997 4.560 -9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.065 3.069 -10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.383 2.909 -9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.452 3.689 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.453 5.459 -10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.094 4.898 -10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.614 5.631 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.026 6.370 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.713 7.962 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.624 7.719 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.162 7.003 -10.250 1.00 0.00 H new ATOM 456 N GLU A 32 -2.253 0.620 -8.939 1.00 0.00 N ATOM 457 CA GLU A 32 -2.674 -0.764 -9.083 1.00 0.00 C ATOM 458 C GLU A 32 -2.675 -1.463 -7.722 1.00 0.00 C ATOM 459 O GLU A 32 -3.687 -2.027 -7.311 1.00 0.00 O ATOM 460 CB GLU A 32 -1.782 -1.507 -10.080 1.00 0.00 C ATOM 461 CG GLU A 32 -2.196 -1.199 -11.521 1.00 0.00 C ATOM 462 CD GLU A 32 -1.353 -2.000 -12.516 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.228 -3.224 -12.298 1.00 0.00 O ATOM 464 OE2 GLU A 32 -0.853 -1.369 -13.473 1.00 0.00 O ATOM 0 H GLU A 32 -1.653 0.963 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.691 -0.775 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.742 -1.220 -9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.846 -2.580 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.251 -1.436 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.081 -0.133 -11.716 1.00 0.00 H new ATOM 471 N PHE A 33 -1.528 -1.402 -7.061 1.00 0.00 N ATOM 472 CA PHE A 33 -1.384 -2.022 -5.755 1.00 0.00 C ATOM 473 C PHE A 33 -2.535 -1.623 -4.829 1.00 0.00 C ATOM 474 O PHE A 33 -3.136 -2.476 -4.176 1.00 0.00 O ATOM 475 CB PHE A 33 -0.069 -1.514 -5.161 1.00 0.00 C ATOM 476 CG PHE A 33 0.378 -2.265 -3.905 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.599 -3.606 -3.957 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.554 -1.592 -2.736 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.014 -4.303 -2.791 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.968 -2.288 -1.571 1.00 0.00 C ATOM 481 CZ PHE A 33 1.190 -3.629 -1.623 1.00 0.00 C ATOM 0 H PHE A 33 -0.690 -0.933 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.393 -3.107 -5.856 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.713 -1.592 -5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.175 -0.456 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.459 -4.141 -4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.378 -0.527 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.190 -5.368 -2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.107 -1.753 -0.643 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.506 -4.159 -0.736 1.00 0.00 H new ATOM 491 N LYS A 34 -2.808 -0.327 -4.801 1.00 0.00 N ATOM 492 CA LYS A 34 -3.877 0.195 -3.966 1.00 0.00 C ATOM 493 C LYS A 34 -5.172 -0.561 -4.269 1.00 0.00 C ATOM 494 O LYS A 34 -5.891 -0.960 -3.355 1.00 0.00 O ATOM 495 CB LYS A 34 -3.996 1.711 -4.134 1.00 0.00 C ATOM 496 CG LYS A 34 -2.782 2.426 -3.538 1.00 0.00 C ATOM 497 CD LYS A 34 -3.152 3.833 -3.064 1.00 0.00 C ATOM 498 CE LYS A 34 -1.962 4.786 -3.196 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.416 6.123 -3.639 1.00 0.00 N ATOM 0 H LYS A 34 -2.308 0.377 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.652 0.031 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.084 1.957 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.905 2.064 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.390 1.848 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.989 2.486 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.991 4.209 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.480 3.796 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.447 4.869 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.244 4.384 -3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.596 6.758 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.887 6.041 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.084 6.511 -2.943 1.00 0.00 H new ATOM 513 N GLU A 35 -5.429 -0.736 -5.557 1.00 0.00 N ATOM 514 CA GLU A 35 -6.624 -1.438 -5.993 1.00 0.00 C ATOM 515 C GLU A 35 -6.552 -2.912 -5.590 1.00 0.00 C ATOM 516 O GLU A 35 -7.572 -3.524 -5.278 1.00 0.00 O ATOM 517 CB GLU A 35 -6.826 -1.291 -7.503 1.00 0.00 C ATOM 518 CG GLU A 35 -6.813 0.181 -7.918 1.00 0.00 C ATOM 519 CD GLU A 35 -7.480 0.373 -9.281 1.00 0.00 C ATOM 520 OE1 GLU A 35 -6.748 0.282 -10.290 1.00 0.00 O ATOM 521 OE2 GLU A 35 -8.708 0.605 -9.284 1.00 0.00 O ATOM 0 H GLU A 35 -4.830 -0.404 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.486 -0.989 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.039 -1.829 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.773 -1.746 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.332 0.778 -7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.785 0.542 -7.958 1.00 0.00 H new ATOM 528 N HIS A 36 -5.336 -3.438 -5.609 1.00 0.00 N ATOM 529 CA HIS A 36 -5.117 -4.829 -5.249 1.00 0.00 C ATOM 530 C HIS A 36 -5.452 -5.035 -3.771 1.00 0.00 C ATOM 531 O HIS A 36 -6.290 -5.868 -3.431 1.00 0.00 O ATOM 532 CB HIS A 36 -3.693 -5.263 -5.601 1.00 0.00 C ATOM 533 CG HIS A 36 -3.456 -6.750 -5.477 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.679 -7.459 -4.609 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.056 -7.677 -6.312 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.798 -8.749 -4.897 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -3.651 -8.886 -5.953 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.492 -2.926 -5.868 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.783 -5.468 -5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.472 -4.954 -6.623 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -2.993 -4.738 -4.951 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.738 -7.453 -7.119 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.301 -9.557 -4.381 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.928 -9.765 -6.389 1.00 0.00 H new ATOM 545 N ILE A 37 -4.779 -4.262 -2.931 1.00 0.00 N ATOM 546 CA ILE A 37 -4.994 -4.349 -1.497 1.00 0.00 C ATOM 547 C ILE A 37 -6.381 -3.798 -1.159 1.00 0.00 C ATOM 548 O ILE A 37 -7.028 -4.267 -0.224 1.00 0.00 O ATOM 549 CB ILE A 37 -3.857 -3.659 -0.742 1.00 0.00 C ATOM 550 CG1 ILE A 37 -3.842 -2.156 -1.027 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.511 -4.315 -1.057 1.00 0.00 C ATOM 552 CD1 ILE A 37 -2.773 -1.449 -0.192 1.00 0.00 C ATOM 0 H ILE A 37 -4.084 -3.572 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.976 -5.389 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.033 -3.783 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.652 -1.985 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.821 -1.731 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.720 -3.805 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.540 -5.364 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.313 -4.244 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.784 -0.382 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.979 -1.601 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.792 -1.859 -0.433 1.00 0.00 H new ATOM 564 N ALA A 38 -6.796 -2.811 -1.939 1.00 0.00 N ATOM 565 CA ALA A 38 -8.094 -2.191 -1.734 1.00 0.00 C ATOM 566 C ALA A 38 -9.124 -3.273 -1.403 1.00 0.00 C ATOM 567 O ALA A 38 -10.087 -3.017 -0.681 1.00 0.00 O ATOM 568 CB ALA A 38 -8.476 -1.383 -2.976 1.00 0.00 C ATOM 0 H ALA A 38 -6.257 -2.425 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.060 -1.499 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.450 -0.918 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.728 -0.610 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.523 -2.045 -3.841 1.00 0.00 H new ATOM 574 N ALA A 39 -8.886 -4.458 -1.945 1.00 0.00 N ATOM 575 CA ALA A 39 -9.782 -5.579 -1.716 1.00 0.00 C ATOM 576 C ALA A 39 -9.616 -6.073 -0.277 1.00 0.00 C ATOM 577 O ALA A 39 -10.577 -6.096 0.489 1.00 0.00 O ATOM 578 CB ALA A 39 -9.500 -6.676 -2.745 1.00 0.00 C ATOM 0 H ALA A 39 -8.086 -4.667 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.820 -5.273 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.172 -7.517 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.660 -6.283 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.467 -7.011 -2.646 1.00 0.00 H new ATOM 584 N SER A 40 -8.389 -6.455 0.045 1.00 0.00 N ATOM 585 CA SER A 40 -8.085 -6.947 1.378 1.00 0.00 C ATOM 586 C SER A 40 -8.348 -5.852 2.413 1.00 0.00 C ATOM 587 O SER A 40 -9.099 -6.059 3.364 1.00 0.00 O ATOM 588 CB SER A 40 -6.635 -7.428 1.470 1.00 0.00 C ATOM 589 OG SER A 40 -6.399 -8.572 0.655 1.00 0.00 O ATOM 0 H SER A 40 -7.594 -6.434 -0.594 1.00 0.00 H new ATOM 0 HA SER A 40 -8.735 -7.797 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.966 -6.623 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.397 -7.666 2.507 1.00 0.00 H new ATOM 0 HG SER A 40 -5.693 -9.120 1.057 1.00 0.00 H new ATOM 595 N VAL A 41 -7.714 -4.709 2.192 1.00 0.00 N ATOM 596 CA VAL A 41 -7.870 -3.580 3.094 1.00 0.00 C ATOM 597 C VAL A 41 -9.326 -3.113 3.071 1.00 0.00 C ATOM 598 O VAL A 41 -9.837 -2.612 4.072 1.00 0.00 O ATOM 599 CB VAL A 41 -6.881 -2.474 2.723 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.437 -2.947 2.899 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.124 -1.976 1.296 1.00 0.00 C ATOM 0 H VAL A 41 -7.092 -4.541 1.402 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.639 -3.874 4.118 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.045 -1.638 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.755 -2.141 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.271 -3.229 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.255 -3.808 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.407 -1.190 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.002 -2.803 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.136 -1.580 1.216 1.00 0.00 H new ATOM 611 N SER A 42 -9.954 -3.292 1.918 1.00 0.00 N ATOM 612 CA SER A 42 -11.342 -2.895 1.752 1.00 0.00 C ATOM 613 C SER A 42 -11.441 -1.371 1.649 1.00 0.00 C ATOM 614 O SER A 42 -12.431 -0.780 2.078 1.00 0.00 O ATOM 615 CB SER A 42 -12.204 -3.406 2.908 1.00 0.00 C ATOM 616 OG SER A 42 -13.290 -4.206 2.451 1.00 0.00 O ATOM 0 H SER A 42 -9.527 -3.707 1.090 1.00 0.00 H new ATOM 0 HA SER A 42 -11.717 -3.341 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.586 -3.989 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.591 -2.559 3.474 1.00 0.00 H new ATOM 0 HG SER A 42 -13.815 -4.514 3.219 1.00 0.00 H new ATOM 622 N ILE A 43 -10.403 -0.780 1.077 1.00 0.00 N ATOM 623 CA ILE A 43 -10.360 0.663 0.912 1.00 0.00 C ATOM 624 C ILE A 43 -10.013 0.996 -0.540 1.00 0.00 C ATOM 625 O ILE A 43 -9.168 0.340 -1.146 1.00 0.00 O ATOM 626 CB ILE A 43 -9.408 1.291 1.932 1.00 0.00 C ATOM 627 CG1 ILE A 43 -9.665 0.738 3.335 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.494 2.818 1.894 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.560 1.165 4.303 1.00 0.00 C ATOM 0 H ILE A 43 -9.585 -1.274 0.722 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.338 1.099 1.114 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.388 1.018 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.629 1.093 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.720 -0.350 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.808 3.239 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.224 3.173 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.512 3.131 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.767 0.759 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.601 0.788 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.524 2.253 4.357 1.00 0.00 H new ATOM 641 N PRO A 44 -10.700 2.043 -1.070 1.00 0.00 N ATOM 642 CA PRO A 44 -10.473 2.471 -2.440 1.00 0.00 C ATOM 643 C PRO A 44 -9.151 3.232 -2.564 1.00 0.00 C ATOM 644 O PRO A 44 -8.766 3.966 -1.656 1.00 0.00 O ATOM 645 CB PRO A 44 -11.683 3.321 -2.792 1.00 0.00 C ATOM 646 CG PRO A 44 -12.312 3.720 -1.467 1.00 0.00 C ATOM 647 CD PRO A 44 -11.709 2.844 -0.382 1.00 0.00 C ATOM 0 HA PRO A 44 -10.376 1.634 -3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.389 4.200 -3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.388 2.761 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.123 4.773 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.394 3.591 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.264 3.445 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.466 2.213 0.083 1.00 0.00 H new ATOM 655 N SER A 45 -8.493 3.029 -3.696 1.00 0.00 N ATOM 656 CA SER A 45 -7.223 3.686 -3.951 1.00 0.00 C ATOM 657 C SER A 45 -7.376 5.200 -3.793 1.00 0.00 C ATOM 658 O SER A 45 -6.485 5.867 -3.269 1.00 0.00 O ATOM 659 CB SER A 45 -6.699 3.349 -5.348 1.00 0.00 C ATOM 660 OG SER A 45 -7.384 4.075 -6.365 1.00 0.00 O ATOM 0 H SER A 45 -8.816 2.419 -4.447 1.00 0.00 H new ATOM 0 HA SER A 45 -6.498 3.322 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.633 3.572 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.810 2.280 -5.529 1.00 0.00 H new ATOM 0 HG SER A 45 -7.019 3.833 -7.242 1.00 0.00 H new ATOM 666 N GLU A 46 -8.512 5.700 -4.257 1.00 0.00 N ATOM 667 CA GLU A 46 -8.794 7.123 -4.174 1.00 0.00 C ATOM 668 C GLU A 46 -8.855 7.567 -2.711 1.00 0.00 C ATOM 669 O GLU A 46 -8.801 8.761 -2.418 1.00 0.00 O ATOM 670 CB GLU A 46 -10.091 7.469 -4.907 1.00 0.00 C ATOM 671 CG GLU A 46 -11.233 6.553 -4.462 1.00 0.00 C ATOM 672 CD GLU A 46 -12.592 7.211 -4.710 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.906 8.164 -3.964 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.286 6.746 -5.640 1.00 0.00 O ATOM 0 H GLU A 46 -9.248 5.144 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.984 7.663 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.357 8.508 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.942 7.374 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.178 5.608 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.126 6.320 -3.403 1.00 0.00 H new ATOM 681 N LYS A 47 -8.967 6.583 -1.831 1.00 0.00 N ATOM 682 CA LYS A 47 -9.036 6.857 -0.406 1.00 0.00 C ATOM 683 C LYS A 47 -7.715 6.452 0.252 1.00 0.00 C ATOM 684 O LYS A 47 -7.330 7.014 1.276 1.00 0.00 O ATOM 685 CB LYS A 47 -10.263 6.182 0.211 1.00 0.00 C ATOM 686 CG LYS A 47 -11.503 7.068 0.074 1.00 0.00 C ATOM 687 CD LYS A 47 -12.608 6.616 1.030 1.00 0.00 C ATOM 688 CE LYS A 47 -12.582 7.431 2.324 1.00 0.00 C ATOM 689 NZ LYS A 47 -13.215 8.753 2.116 1.00 0.00 N ATOM 0 H LYS A 47 -9.012 5.594 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.166 7.925 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.440 5.224 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.076 5.972 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.238 8.105 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.868 7.032 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.579 6.726 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.484 5.558 1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.106 6.890 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.553 7.562 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.189 9.294 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.698 9.273 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.203 8.622 1.819 1.00 0.00 H new ATOM 703 N GLN A 48 -7.059 5.479 -0.363 1.00 0.00 N ATOM 704 CA GLN A 48 -5.790 4.992 0.150 1.00 0.00 C ATOM 705 C GLN A 48 -4.672 5.989 -0.164 1.00 0.00 C ATOM 706 O GLN A 48 -4.833 6.857 -1.021 1.00 0.00 O ATOM 707 CB GLN A 48 -5.465 3.608 -0.415 1.00 0.00 C ATOM 708 CG GLN A 48 -6.440 2.556 0.116 1.00 0.00 C ATOM 709 CD GLN A 48 -6.002 1.147 -0.290 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.161 0.526 0.337 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.619 0.681 -1.372 1.00 0.00 N ATOM 0 H GLN A 48 -7.382 5.015 -1.212 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.871 4.896 1.233 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.512 3.636 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.445 3.332 -0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.497 2.624 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.440 2.755 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.314 1.255 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.397 -0.250 -1.724 1.00 0.00 H new ATOM 720 N ARG A 49 -3.565 5.832 0.547 1.00 0.00 N ATOM 721 CA ARG A 49 -2.422 6.707 0.354 1.00 0.00 C ATOM 722 C ARG A 49 -1.200 6.154 1.090 1.00 0.00 C ATOM 723 O ARG A 49 -0.833 6.652 2.153 1.00 0.00 O ATOM 724 CB ARG A 49 -2.718 8.120 0.862 1.00 0.00 C ATOM 725 CG ARG A 49 -1.526 9.049 0.625 1.00 0.00 C ATOM 726 CD ARG A 49 -1.750 10.409 1.289 1.00 0.00 C ATOM 727 NE ARG A 49 -1.882 11.461 0.256 1.00 0.00 N ATOM 728 CZ ARG A 49 -2.250 12.723 0.513 1.00 0.00 C ATOM 729 NH1 ARG A 49 -2.524 13.099 1.770 1.00 0.00 N ATOM 730 NH2 ARG A 49 -2.344 13.611 -0.487 1.00 0.00 N ATOM 0 H ARG A 49 -3.436 5.112 1.258 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.217 6.753 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.598 8.516 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.951 8.086 1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.620 8.592 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.373 9.184 -0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.648 10.378 1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.916 10.641 1.952 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.680 11.209 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.452 12.424 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.804 14.060 1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.135 13.326 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.624 14.572 -0.291 1.00 0.00 H new ATOM 744 N LEU A 50 -0.603 5.131 0.495 1.00 0.00 N ATOM 745 CA LEU A 50 0.570 4.505 1.081 1.00 0.00 C ATOM 746 C LEU A 50 1.593 5.584 1.439 1.00 0.00 C ATOM 747 O LEU A 50 1.797 6.529 0.678 1.00 0.00 O ATOM 748 CB LEU A 50 1.119 3.421 0.151 1.00 0.00 C ATOM 749 CG LEU A 50 0.129 2.331 -0.266 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.710 1.461 -1.382 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.309 1.497 0.941 1.00 0.00 C ATOM 0 H LEU A 50 -0.910 4.720 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 50 0.307 3.995 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.500 3.902 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.968 2.945 0.642 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.763 2.814 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.013 0.694 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.932 2.082 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.627 0.985 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.012 0.730 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.563 1.023 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.790 2.144 1.675 1.00 0.00 H new ATOM 763 N ILE A 51 2.210 5.408 2.598 1.00 0.00 N ATOM 764 CA ILE A 51 3.208 6.355 3.067 1.00 0.00 C ATOM 765 C ILE A 51 4.446 5.591 3.541 1.00 0.00 C ATOM 766 O ILE A 51 4.335 4.636 4.307 1.00 0.00 O ATOM 767 CB ILE A 51 2.611 7.279 4.129 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.515 8.165 3.533 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.703 8.103 4.815 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.454 8.505 4.581 1.00 0.00 C ATOM 0 H ILE A 51 2.038 4.623 3.227 1.00 0.00 H new ATOM 0 HA ILE A 51 3.528 7.007 2.254 1.00 0.00 H new ATOM 0 HB ILE A 51 2.144 6.661 4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.956 9.083 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.048 7.655 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.252 8.752 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.416 7.433 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.220 8.712 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.313 9.135 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.002 7.586 4.949 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.920 9.036 5.411 1.00 0.00 H new ATOM 782 N TYR A 52 5.598 6.042 3.065 1.00 0.00 N ATOM 783 CA TYR A 52 6.856 5.414 3.431 1.00 0.00 C ATOM 784 C TYR A 52 7.916 6.464 3.769 1.00 0.00 C ATOM 785 O TYR A 52 8.223 7.327 2.949 1.00 0.00 O ATOM 786 CB TYR A 52 7.309 4.628 2.198 1.00 0.00 C ATOM 787 CG TYR A 52 8.599 3.833 2.407 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.823 4.434 2.193 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.540 2.514 2.809 1.00 0.00 C ATOM 790 CE1 TYR A 52 11.037 3.686 2.389 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.754 1.766 3.005 1.00 0.00 C ATOM 792 CZ TYR A 52 10.943 2.389 2.786 1.00 0.00 C ATOM 793 OH TYR A 52 12.090 1.682 2.971 1.00 0.00 O ATOM 0 H TYR A 52 5.686 6.835 2.429 1.00 0.00 H new ATOM 0 HA TYR A 52 6.727 4.780 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.515 3.942 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.452 5.322 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.870 5.466 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.583 2.043 2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.001 4.145 2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.721 0.733 3.319 1.00 0.00 H new ATOM 0 HH TYR A 52 11.870 0.770 3.255 1.00 0.00 H new ATOM 803 N GLN A 53 8.445 6.356 4.979 1.00 0.00 N ATOM 804 CA GLN A 53 9.464 7.286 5.436 1.00 0.00 C ATOM 805 C GLN A 53 8.894 8.704 5.509 1.00 0.00 C ATOM 806 O GLN A 53 9.623 9.679 5.337 1.00 0.00 O ATOM 807 CB GLN A 53 10.697 7.236 4.531 1.00 0.00 C ATOM 808 CG GLN A 53 11.543 5.996 4.825 1.00 0.00 C ATOM 809 CD GLN A 53 12.003 5.980 6.285 1.00 0.00 C ATOM 810 OE1 GLN A 53 11.411 5.345 7.142 1.00 0.00 O ATOM 811 NE2 GLN A 53 13.089 6.711 6.518 1.00 0.00 N ATOM 0 H GLN A 53 8.187 5.639 5.657 1.00 0.00 H new ATOM 0 HA GLN A 53 9.777 6.989 6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.386 7.229 3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.297 8.134 4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.964 5.097 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.411 5.979 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.536 7.218 5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.475 6.764 7.461 1.00 0.00 H new ATOM 820 N GLY A 54 7.596 8.773 5.764 1.00 0.00 N ATOM 821 CA GLY A 54 6.920 10.055 5.862 1.00 0.00 C ATOM 822 C GLY A 54 6.810 10.724 4.490 1.00 0.00 C ATOM 823 O GLY A 54 6.845 11.949 4.388 1.00 0.00 O ATOM 0 H GLY A 54 6.994 7.962 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.924 9.914 6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.465 10.706 6.545 1.00 0.00 H new ATOM 827 N ARG A 55 6.681 9.889 3.469 1.00 0.00 N ATOM 828 CA ARG A 55 6.566 10.384 2.108 1.00 0.00 C ATOM 829 C ARG A 55 5.388 9.714 1.397 1.00 0.00 C ATOM 830 O ARG A 55 5.285 8.489 1.379 1.00 0.00 O ATOM 831 CB ARG A 55 7.848 10.119 1.316 1.00 0.00 C ATOM 832 CG ARG A 55 8.673 11.399 1.163 1.00 0.00 C ATOM 833 CD ARG A 55 9.793 11.210 0.138 1.00 0.00 C ATOM 834 NE ARG A 55 10.848 12.226 0.348 1.00 0.00 N ATOM 835 CZ ARG A 55 11.831 12.480 -0.526 1.00 0.00 C ATOM 836 NH1 ARG A 55 11.900 11.794 -1.675 1.00 0.00 N ATOM 837 NH2 ARG A 55 12.746 13.420 -0.250 1.00 0.00 N ATOM 0 H ARG A 55 6.654 8.873 3.557 1.00 0.00 H new ATOM 0 HA ARG A 55 6.399 11.460 2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.442 9.358 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.596 9.724 0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.025 12.219 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.100 11.678 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.216 10.210 0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.391 11.294 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 55 10.825 12.767 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.204 11.078 -1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.648 11.988 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.694 13.941 0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.495 13.614 -0.915 1.00 0.00 H new ATOM 851 N VAL A 56 4.530 10.548 0.829 1.00 0.00 N ATOM 852 CA VAL A 56 3.363 10.053 0.118 1.00 0.00 C ATOM 853 C VAL A 56 3.807 9.412 -1.198 1.00 0.00 C ATOM 854 O VAL A 56 4.294 10.100 -2.094 1.00 0.00 O ATOM 855 CB VAL A 56 2.351 11.183 -0.078 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.772 12.102 -1.226 1.00 0.00 C ATOM 857 CG2 VAL A 56 0.945 10.625 -0.309 1.00 0.00 C ATOM 0 H VAL A 56 4.619 11.564 0.846 1.00 0.00 H new ATOM 0 HA VAL A 56 2.859 9.282 0.701 1.00 0.00 H new ATOM 0 HB VAL A 56 2.330 11.777 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.036 12.897 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.745 12.539 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.835 11.526 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.244 11.449 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.945 9.997 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.643 10.031 0.554 1.00 0.00 H new ATOM 867 N LEU A 57 3.623 8.102 -1.274 1.00 0.00 N ATOM 868 CA LEU A 57 3.999 7.361 -2.466 1.00 0.00 C ATOM 869 C LEU A 57 3.160 7.848 -3.649 1.00 0.00 C ATOM 870 O LEU A 57 1.970 8.123 -3.500 1.00 0.00 O ATOM 871 CB LEU A 57 3.894 5.855 -2.216 1.00 0.00 C ATOM 872 CG LEU A 57 4.678 5.318 -1.017 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.010 4.069 -0.440 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.141 5.066 -1.387 1.00 0.00 C ATOM 0 H LEU A 57 3.218 7.535 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 57 5.043 7.547 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.843 5.602 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.235 5.334 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 57 4.670 6.078 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.587 3.708 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.999 4.314 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.967 3.293 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.676 4.685 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.192 4.334 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.599 5.999 -1.714 1.00 0.00 H new ATOM 886 N GLN A 58 3.813 7.941 -4.798 1.00 0.00 N ATOM 887 CA GLN A 58 3.143 8.390 -6.006 1.00 0.00 C ATOM 888 C GLN A 58 2.405 7.225 -6.668 1.00 0.00 C ATOM 889 O GLN A 58 2.934 6.117 -6.752 1.00 0.00 O ATOM 890 CB GLN A 58 4.135 9.033 -6.977 1.00 0.00 C ATOM 891 CG GLN A 58 3.743 10.480 -7.283 1.00 0.00 C ATOM 892 CD GLN A 58 2.288 10.568 -7.746 1.00 0.00 C ATOM 893 OE1 GLN A 58 1.877 9.942 -8.709 1.00 0.00 O ATOM 894 NE2 GLN A 58 1.534 11.379 -7.009 1.00 0.00 N ATOM 0 H GLN A 58 4.800 7.713 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 58 2.411 9.149 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.137 9.007 -6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.168 8.458 -7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.883 11.094 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.399 10.883 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.942 11.873 -6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.548 11.506 -7.237 1.00 0.00 H new ATOM 903 N ASP A 59 1.193 7.514 -7.121 1.00 0.00 N ATOM 904 CA ASP A 59 0.377 6.504 -7.773 1.00 0.00 C ATOM 905 C ASP A 59 1.084 6.025 -9.043 1.00 0.00 C ATOM 906 O ASP A 59 1.194 4.823 -9.281 1.00 0.00 O ATOM 907 CB ASP A 59 -0.985 7.072 -8.175 1.00 0.00 C ATOM 908 CG ASP A 59 -0.968 8.533 -8.629 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.638 9.388 -7.779 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.285 8.762 -9.817 1.00 0.00 O ATOM 0 H ASP A 59 0.757 8.433 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 59 0.232 5.683 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.393 6.462 -8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.665 6.978 -7.328 1.00 0.00 H new ATOM 915 N ASP A 60 1.544 6.990 -9.825 1.00 0.00 N ATOM 916 CA ASP A 60 2.237 6.682 -11.065 1.00 0.00 C ATOM 917 C ASP A 60 3.475 5.839 -10.756 1.00 0.00 C ATOM 918 O ASP A 60 3.845 4.963 -11.536 1.00 0.00 O ATOM 919 CB ASP A 60 2.698 7.959 -11.770 1.00 0.00 C ATOM 920 CG ASP A 60 2.156 8.147 -13.188 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.625 7.153 -13.729 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.284 9.280 -13.699 1.00 0.00 O ATOM 0 H ASP A 60 1.451 7.986 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 60 1.546 6.142 -11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.400 8.817 -11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.787 7.961 -11.810 1.00 0.00 H new ATOM 927 N LYS A 61 4.083 6.133 -9.616 1.00 0.00 N ATOM 928 CA LYS A 61 5.272 5.413 -9.194 1.00 0.00 C ATOM 929 C LYS A 61 4.920 3.941 -8.972 1.00 0.00 C ATOM 930 O LYS A 61 3.746 3.573 -8.968 1.00 0.00 O ATOM 931 CB LYS A 61 5.901 6.086 -7.972 1.00 0.00 C ATOM 932 CG LYS A 61 7.018 7.045 -8.389 1.00 0.00 C ATOM 933 CD LYS A 61 8.394 6.449 -8.089 1.00 0.00 C ATOM 934 CE LYS A 61 9.256 7.431 -7.293 1.00 0.00 C ATOM 935 NZ LYS A 61 10.142 6.704 -6.357 1.00 0.00 N ATOM 0 H LYS A 61 3.774 6.861 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 61 6.033 5.445 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.136 6.631 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.301 5.327 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.936 7.262 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.905 7.992 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.278 5.523 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.895 6.194 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.855 8.034 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.617 8.118 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.925 7.324 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.599 6.417 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.525 5.859 -6.827 1.00 0.00 H new ATOM 949 N LYS A 62 5.958 3.137 -8.792 1.00 0.00 N ATOM 950 CA LYS A 62 5.773 1.713 -8.569 1.00 0.00 C ATOM 951 C LYS A 62 6.411 1.323 -7.235 1.00 0.00 C ATOM 952 O LYS A 62 7.304 2.012 -6.744 1.00 0.00 O ATOM 953 CB LYS A 62 6.300 0.912 -9.761 1.00 0.00 C ATOM 954 CG LYS A 62 5.825 1.519 -11.083 1.00 0.00 C ATOM 955 CD LYS A 62 6.353 0.718 -12.275 1.00 0.00 C ATOM 956 CE LYS A 62 5.346 0.720 -13.427 1.00 0.00 C ATOM 957 NZ LYS A 62 6.048 0.759 -14.729 1.00 0.00 N ATOM 0 H LYS A 62 6.930 3.445 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 62 4.712 1.473 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.390 0.892 -9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.960 -0.121 -9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.735 1.539 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.164 2.552 -11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.298 1.143 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.556 -0.308 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.719 -0.170 -13.372 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.684 1.582 -13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.350 0.760 -15.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.627 1.621 -14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.661 -0.076 -14.818 1.00 0.00 H new ATOM 971 N LEU A 63 5.929 0.218 -6.686 1.00 0.00 N ATOM 972 CA LEU A 63 6.441 -0.273 -5.418 1.00 0.00 C ATOM 973 C LEU A 63 7.943 -0.537 -5.547 1.00 0.00 C ATOM 974 O LEU A 63 8.744 0.049 -4.822 1.00 0.00 O ATOM 975 CB LEU A 63 5.640 -1.490 -4.951 1.00 0.00 C ATOM 976 CG LEU A 63 4.155 -1.498 -5.319 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.594 -0.075 -5.363 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.920 -2.247 -6.632 1.00 0.00 C ATOM 0 H LEU A 63 5.189 -0.352 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 63 6.315 0.479 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.102 -2.385 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.725 -1.562 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 63 3.613 -2.035 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.537 -0.109 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.709 0.392 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.136 0.507 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.857 -2.238 -6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.476 -1.760 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.260 -3.277 -6.529 1.00 0.00 H new ATOM 990 N GLN A 64 8.278 -1.421 -6.476 1.00 0.00 N ATOM 991 CA GLN A 64 9.668 -1.770 -6.710 1.00 0.00 C ATOM 992 C GLN A 64 10.540 -0.512 -6.698 1.00 0.00 C ATOM 993 O GLN A 64 11.626 -0.511 -6.120 1.00 0.00 O ATOM 994 CB GLN A 64 9.828 -2.535 -8.025 1.00 0.00 C ATOM 995 CG GLN A 64 11.225 -3.151 -8.135 1.00 0.00 C ATOM 996 CD GLN A 64 11.544 -3.531 -9.582 1.00 0.00 C ATOM 997 OE1 GLN A 64 10.730 -3.394 -10.481 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.770 -4.014 -9.756 1.00 0.00 N ATOM 0 H GLN A 64 7.610 -1.906 -7.075 1.00 0.00 H new ATOM 0 HA GLN A 64 9.998 -2.426 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.075 -3.320 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.656 -1.862 -8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.968 -2.443 -7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.287 -4.035 -7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.401 -4.102 -8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.080 -4.296 -10.686 1.00 0.00 H new ATOM 1007 N GLU A 65 10.033 0.527 -7.343 1.00 0.00 N ATOM 1008 CA GLU A 65 10.751 1.788 -7.414 1.00 0.00 C ATOM 1009 C GLU A 65 11.129 2.264 -6.010 1.00 0.00 C ATOM 1010 O GLU A 65 12.261 2.684 -5.776 1.00 0.00 O ATOM 1011 CB GLU A 65 9.929 2.848 -8.149 1.00 0.00 C ATOM 1012 CG GLU A 65 10.502 3.119 -9.542 1.00 0.00 C ATOM 1013 CD GLU A 65 10.501 4.617 -9.853 1.00 0.00 C ATOM 1014 OE1 GLU A 65 10.986 5.376 -8.987 1.00 0.00 O ATOM 1015 OE2 GLU A 65 10.016 4.968 -10.950 1.00 0.00 O ATOM 0 H GLU A 65 9.132 0.522 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 65 11.668 1.629 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.895 2.515 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.919 3.772 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.519 2.732 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.914 2.588 -10.291 1.00 0.00 H new ATOM 1022 N TYR A 66 10.159 2.182 -5.111 1.00 0.00 N ATOM 1023 CA TYR A 66 10.375 2.599 -3.736 1.00 0.00 C ATOM 1024 C TYR A 66 11.152 1.536 -2.957 1.00 0.00 C ATOM 1025 O TYR A 66 11.589 1.781 -1.833 1.00 0.00 O ATOM 1026 CB TYR A 66 8.984 2.752 -3.118 1.00 0.00 C ATOM 1027 CG TYR A 66 8.250 4.025 -3.545 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.681 5.255 -3.092 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.157 3.943 -4.384 1.00 0.00 C ATOM 1030 CE1 TYR A 66 7.990 6.453 -3.493 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.466 5.141 -4.786 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.917 6.336 -4.321 1.00 0.00 C ATOM 1033 OH TYR A 66 6.264 7.468 -4.700 1.00 0.00 O ATOM 0 H TYR A 66 9.221 1.833 -5.308 1.00 0.00 H new ATOM 0 HA TYR A 66 10.952 3.523 -3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.379 1.887 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.077 2.746 -2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.537 5.319 -2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.820 2.980 -4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.316 7.422 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.609 5.091 -5.442 1.00 0.00 H new ATOM 0 HH TYR A 66 6.665 7.817 -5.523 1.00 0.00 H new ATOM 1043 N ASN A 67 11.300 0.378 -3.584 1.00 0.00 N ATOM 1044 CA ASN A 67 12.017 -0.723 -2.963 1.00 0.00 C ATOM 1045 C ASN A 67 11.297 -1.133 -1.677 1.00 0.00 C ATOM 1046 O ASN A 67 11.928 -1.303 -0.635 1.00 0.00 O ATOM 1047 CB ASN A 67 13.444 -0.314 -2.596 1.00 0.00 C ATOM 1048 CG ASN A 67 14.396 -0.527 -3.775 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.836 -1.629 -4.059 1.00 0.00 O ATOM 1050 ND2 ASN A 67 14.689 0.585 -4.442 1.00 0.00 N ATOM 0 H ASN A 67 10.936 0.178 -4.516 1.00 0.00 H new ATOM 0 HA ASN A 67 12.051 -1.548 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.460 0.734 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.784 -0.896 -1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.317 0.548 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.286 1.476 -4.151 1.00 0.00 H new ATOM 1057 N VAL A 68 9.985 -1.282 -1.792 1.00 0.00 N ATOM 1058 CA VAL A 68 9.173 -1.669 -0.651 1.00 0.00 C ATOM 1059 C VAL A 68 8.978 -3.186 -0.662 1.00 0.00 C ATOM 1060 O VAL A 68 7.987 -3.692 -0.137 1.00 0.00 O ATOM 1061 CB VAL A 68 7.852 -0.896 -0.663 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.100 0.610 -0.762 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.945 -1.379 -1.795 1.00 0.00 C ATOM 0 H VAL A 68 9.465 -1.142 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 68 9.676 -1.412 0.281 1.00 0.00 H new ATOM 0 HB VAL A 68 7.341 -1.090 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.145 1.136 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.690 0.939 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.642 0.830 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.013 -0.814 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.446 -1.230 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.728 -2.439 -1.661 1.00 0.00 H new ATOM 1073 N GLY A 69 9.939 -3.871 -1.265 1.00 0.00 N ATOM 1074 CA GLY A 69 9.885 -5.320 -1.350 1.00 0.00 C ATOM 1075 C GLY A 69 10.165 -5.960 0.011 1.00 0.00 C ATOM 1076 O GLY A 69 11.310 -6.000 0.459 1.00 0.00 O ATOM 0 H GLY A 69 10.760 -3.449 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.903 -5.631 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.615 -5.673 -2.079 1.00 0.00 H new ATOM 1080 N GLY A 70 9.100 -6.446 0.631 1.00 0.00 N ATOM 1081 CA GLY A 70 9.216 -7.083 1.932 1.00 0.00 C ATOM 1082 C GLY A 70 9.185 -6.045 3.055 1.00 0.00 C ATOM 1083 O GLY A 70 9.054 -6.396 4.227 1.00 0.00 O ATOM 0 H GLY A 70 8.152 -6.412 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.401 -7.794 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.145 -7.650 1.982 1.00 0.00 H new ATOM 1087 N LYS A 71 9.307 -4.786 2.658 1.00 0.00 N ATOM 1088 CA LYS A 71 9.294 -3.695 3.617 1.00 0.00 C ATOM 1089 C LYS A 71 7.874 -3.513 4.157 1.00 0.00 C ATOM 1090 O LYS A 71 6.920 -4.048 3.596 1.00 0.00 O ATOM 1091 CB LYS A 71 9.882 -2.427 2.993 1.00 0.00 C ATOM 1092 CG LYS A 71 11.349 -2.633 2.611 1.00 0.00 C ATOM 1093 CD LYS A 71 12.261 -2.468 3.827 1.00 0.00 C ATOM 1094 CE LYS A 71 13.705 -2.841 3.485 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.080 -4.114 4.139 1.00 0.00 N ATOM 0 H LYS A 71 9.415 -4.498 1.686 1.00 0.00 H new ATOM 0 HA LYS A 71 9.932 -3.929 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.307 -2.153 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.799 -1.599 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.481 -3.628 2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.632 -1.916 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.222 -1.437 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.903 -3.096 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.817 -2.934 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.378 -2.047 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.063 -4.353 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.993 -4.013 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.449 -4.872 3.810 1.00 0.00 H new ATOM 1109 N VAL A 72 7.780 -2.756 5.241 1.00 0.00 N ATOM 1110 CA VAL A 72 6.493 -2.498 5.863 1.00 0.00 C ATOM 1111 C VAL A 72 6.068 -1.059 5.566 1.00 0.00 C ATOM 1112 O VAL A 72 6.668 -0.112 6.073 1.00 0.00 O ATOM 1113 CB VAL A 72 6.566 -2.802 7.361 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.429 -2.110 8.117 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.554 -4.310 7.616 1.00 0.00 C ATOM 0 H VAL A 72 8.574 -2.314 5.704 1.00 0.00 H new ATOM 0 HA VAL A 72 5.729 -3.155 5.448 1.00 0.00 H new ATOM 0 HB VAL A 72 7.509 -2.406 7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.504 -2.342 9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.501 -1.032 7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.471 -2.463 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.607 -4.498 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.635 -4.739 7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.412 -4.769 7.125 1.00 0.00 H new ATOM 1125 N ILE A 73 5.035 -0.939 4.744 1.00 0.00 N ATOM 1126 CA ILE A 73 4.522 0.369 4.372 1.00 0.00 C ATOM 1127 C ILE A 73 3.482 0.815 5.401 1.00 0.00 C ATOM 1128 O ILE A 73 3.021 0.012 6.211 1.00 0.00 O ATOM 1129 CB ILE A 73 3.998 0.350 2.935 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.929 -0.449 2.022 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.767 1.771 2.417 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.251 -0.763 0.687 1.00 0.00 C ATOM 0 H ILE A 73 4.540 -1.726 4.325 1.00 0.00 H new ATOM 0 HA ILE A 73 5.321 1.110 4.385 1.00 0.00 H new ATOM 0 HB ILE A 73 3.032 -0.155 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.844 0.116 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.218 -1.377 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.395 1.729 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.035 2.274 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.706 2.323 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.935 -1.332 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.350 -1.349 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.985 0.168 0.186 1.00 0.00 H new ATOM 1144 N HIS A 74 3.142 2.094 5.336 1.00 0.00 N ATOM 1145 CA HIS A 74 2.164 2.656 6.252 1.00 0.00 C ATOM 1146 C HIS A 74 0.975 3.205 5.460 1.00 0.00 C ATOM 1147 O HIS A 74 1.039 4.311 4.926 1.00 0.00 O ATOM 1148 CB HIS A 74 2.809 3.707 7.157 1.00 0.00 C ATOM 1149 CG HIS A 74 3.834 3.147 8.114 1.00 0.00 C ATOM 1150 ND1 HIS A 74 5.191 3.052 8.012 1.00 0.00 N flip ATOM 1151 CD2 HIS A 74 3.496 2.603 9.341 1.00 0.00 C flip ATOM 1152 CE1 HIS A 74 5.656 2.482 9.117 1.00 0.00 C flip ATOM 1153 NE2 HIS A 74 4.607 2.202 9.942 1.00 0.00 N flip ATOM 0 H HIS A 74 3.526 2.757 4.663 1.00 0.00 H new ATOM 0 HA HIS A 74 1.787 1.874 6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.284 4.465 6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.028 4.208 7.729 1.00 0.00 H new ATOM 0 HD1 HIS A 74 5.753 3.366 7.221 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.496 2.519 9.741 1.00 0.00 H new ATOM 0 HE1 HIS A 74 6.695 2.274 9.328 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.081 2.407 5.409 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.282 2.799 4.692 1.00 0.00 C ATOM 1163 C LEU A 75 -2.132 3.703 5.586 1.00 0.00 C ATOM 1164 O LEU A 75 -2.038 3.637 6.811 1.00 0.00 O ATOM 1165 CB LEU A 75 -2.027 1.565 4.179 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.509 1.762 3.858 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.689 2.525 2.544 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.251 0.423 3.849 1.00 0.00 C ATOM 0 H LEU A 75 -0.130 1.490 5.853 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.024 3.378 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.525 1.210 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.939 0.776 4.926 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.951 2.370 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.752 2.651 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.216 3.504 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.227 1.964 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.303 0.591 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.814 -0.230 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.165 -0.047 4.829 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.944 4.527 4.939 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.811 5.443 5.660 1.00 0.00 C ATOM 1182 C VAL A 76 -5.164 5.523 4.951 1.00 0.00 C ATOM 1183 O VAL A 76 -5.228 5.492 3.723 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.129 6.805 5.803 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.852 6.694 6.638 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.837 7.418 4.432 1.00 0.00 C ATOM 0 H VAL A 76 -3.019 4.579 3.923 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.995 5.079 6.671 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.815 7.470 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.387 7.676 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.099 6.321 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.159 6.006 6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.352 8.386 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.179 6.755 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.771 7.551 3.886 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.213 5.624 5.755 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.561 5.709 5.220 1.00 0.00 C ATOM 1198 C GLU A 77 -8.215 7.028 5.635 1.00 0.00 C ATOM 1199 O GLU A 77 -8.297 7.337 6.823 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.404 4.513 5.667 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.836 4.625 5.139 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.839 4.070 6.153 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.400 3.264 7.003 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -12.021 4.464 6.056 1.00 0.00 O ATOM 0 H GLU A 77 -6.156 5.649 6.773 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.502 5.683 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.951 3.589 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.417 4.459 6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.068 5.668 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.925 4.080 4.199 1.00 0.00 H new