USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.00525 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -179:sc= 0 (180deg=-0.00144) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.104 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 172:sc=-0.00945 (180deg=-0.0542) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -18:sc= 0.43 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot -150:sc= -0.218 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.0597 K(o=0.06,f=-0.83) USER MOD Single : A 54 GLN : amide:sc=-0.00182 K(o=-0.0018,f=-3.1!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0289 (180deg=-0.302) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00526) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.357 11.713 -26.433 1.00 25.00 N ATOM 2 CA GLY A 1 8.789 11.357 -26.137 1.00 25.00 C ATOM 3 C GLY A 1 9.008 10.495 -24.891 1.00 25.00 C ATOM 4 O GLY A 1 8.108 10.045 -24.258 1.00 25.00 O ATOM 0 H1 GLY A 1 7.089 11.329 -27.362 1.00 25.00 H new ATOM 0 H2 GLY A 1 6.740 11.308 -25.700 1.00 25.00 H new ATOM 0 H3 GLY A 1 7.251 12.748 -26.442 1.00 25.00 H new ATOM 0 HA2 GLY A 1 9.200 10.831 -26.999 1.00 25.00 H new ATOM 0 HA3 GLY A 1 9.359 12.279 -26.025 1.00 25.00 H new ATOM 9 N SER A 2 10.286 10.234 -24.560 1.00 25.00 N ATOM 10 CA SER A 2 10.606 9.429 -23.377 1.00 25.00 C ATOM 11 C SER A 2 10.260 10.230 -22.144 1.00 25.00 C ATOM 12 O SER A 2 10.519 11.422 -22.093 1.00 25.00 O ATOM 13 CB SER A 2 12.092 9.048 -23.355 1.00 25.00 C ATOM 14 OG SER A 2 12.422 8.189 -24.434 1.00 25.00 O ATOM 0 H SER A 2 11.096 10.563 -25.086 1.00 25.00 H new ATOM 0 HA SER A 2 10.027 8.506 -23.403 1.00 25.00 H new ATOM 0 HB2 SER A 2 12.701 9.950 -23.407 1.00 25.00 H new ATOM 0 HB3 SER A 2 12.329 8.557 -22.411 1.00 25.00 H new ATOM 0 HG SER A 2 13.375 7.965 -24.394 1.00 25.00 H new ATOM 20 N MET A 3 9.687 9.551 -21.160 1.00 25.00 N ATOM 21 CA MET A 3 9.388 10.168 -19.858 1.00 25.00 C ATOM 22 C MET A 3 9.915 9.278 -18.732 1.00 25.00 C ATOM 23 O MET A 3 10.966 9.529 -18.183 1.00 25.00 O ATOM 24 CB MET A 3 7.889 10.422 -19.680 1.00 25.00 C ATOM 25 CG MET A 3 7.408 11.704 -20.386 1.00 25.00 C ATOM 26 SD MET A 3 8.069 13.255 -19.666 1.00 25.00 S ATOM 27 CE MET A 3 7.135 13.401 -18.158 1.00 25.00 C ATOM 0 H MET A 3 9.416 8.570 -21.231 1.00 25.00 H new ATOM 0 HA MET A 3 9.888 11.136 -19.821 1.00 25.00 H new ATOM 0 HB2 MET A 3 7.333 9.569 -20.069 1.00 25.00 H new ATOM 0 HB3 MET A 3 7.662 10.492 -18.616 1.00 25.00 H new ATOM 0 HG2 MET A 3 7.693 11.655 -21.437 1.00 25.00 H new ATOM 0 HG3 MET A 3 6.319 11.737 -20.352 1.00 25.00 H new ATOM 0 HE1 MET A 3 7.428 14.311 -17.635 1.00 25.00 H new ATOM 0 HE2 MET A 3 6.071 13.443 -18.392 1.00 25.00 H new ATOM 0 HE3 MET A 3 7.333 12.538 -17.522 1.00 25.00 H new ATOM 37 N LYS A 4 9.139 8.264 -18.381 1.00 25.00 N ATOM 38 CA LYS A 4 9.493 7.391 -17.251 1.00 25.00 C ATOM 39 C LYS A 4 9.438 5.860 -17.512 1.00 25.00 C ATOM 40 O LYS A 4 10.145 5.110 -16.872 1.00 25.00 O ATOM 41 CB LYS A 4 8.572 7.742 -16.082 1.00 25.00 C ATOM 42 CG LYS A 4 9.191 7.372 -14.711 1.00 25.00 C ATOM 43 CD LYS A 4 8.184 7.453 -13.572 1.00 25.00 C ATOM 44 CE LYS A 4 7.228 6.260 -13.573 1.00 25.00 C ATOM 45 NZ LYS A 4 6.349 6.295 -12.377 1.00 25.00 N ATOM 0 H LYS A 4 8.267 8.019 -18.851 1.00 25.00 H new ATOM 0 HA LYS A 4 10.546 7.585 -17.045 1.00 25.00 H new ATOM 0 HB2 LYS A 4 8.354 8.810 -16.103 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.623 7.220 -16.202 1.00 25.00 H new ATOM 0 HG2 LYS A 4 9.597 6.362 -14.761 1.00 25.00 H new ATOM 0 HG3 LYS A 4 10.026 8.041 -14.501 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.714 7.493 -12.620 1.00 25.00 H new ATOM 0 HD3 LYS A 4 7.612 8.377 -13.657 1.00 25.00 H new ATOM 0 HE2 LYS A 4 6.621 6.274 -14.478 1.00 25.00 H new ATOM 0 HE3 LYS A 4 7.797 5.331 -13.586 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 5.706 5.477 -12.394 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 6.932 6.259 -11.517 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 5.792 7.173 -12.381 1.00 25.00 H new ATOM 59 N TYR A 5 8.607 5.430 -18.452 1.00 25.00 N ATOM 60 CA TYR A 5 8.492 3.997 -18.777 1.00 25.00 C ATOM 61 C TYR A 5 8.875 3.816 -20.243 1.00 25.00 C ATOM 62 O TYR A 5 8.985 4.795 -20.998 1.00 25.00 O ATOM 63 CB TYR A 5 7.065 3.492 -18.559 1.00 25.00 C ATOM 64 CG TYR A 5 6.782 3.012 -17.151 1.00 25.00 C ATOM 65 CD1 TYR A 5 7.318 1.796 -16.665 1.00 25.00 C ATOM 66 CD2 TYR A 5 5.909 3.724 -16.312 1.00 25.00 C ATOM 67 CE1 TYR A 5 6.998 1.315 -15.347 1.00 25.00 C ATOM 68 CE2 TYR A 5 5.565 3.247 -15.002 1.00 25.00 C ATOM 69 CZ TYR A 5 6.132 2.034 -14.518 1.00 25.00 C ATOM 70 OH TYR A 5 5.811 1.573 -13.262 1.00 25.00 O ATOM 0 H TYR A 5 8.003 6.039 -19.004 1.00 25.00 H new ATOM 0 HA TYR A 5 9.152 3.425 -18.124 1.00 25.00 H new ATOM 0 HB2 TYR A 5 6.367 4.293 -18.804 1.00 25.00 H new ATOM 0 HB3 TYR A 5 6.871 2.676 -19.255 1.00 25.00 H new ATOM 0 HD1 TYR A 5 7.979 1.219 -17.294 1.00 25.00 H new ATOM 0 HD2 TYR A 5 5.486 4.654 -16.661 1.00 25.00 H new ATOM 0 HE1 TYR A 5 7.431 0.390 -14.995 1.00 25.00 H new ATOM 0 HE2 TYR A 5 4.878 3.807 -14.385 1.00 25.00 H new ATOM 0 HH TYR A 5 5.198 2.203 -12.829 1.00 25.00 H new ATOM 80 N LEU A 6 9.070 2.547 -20.617 1.00 25.00 N ATOM 81 CA LEU A 6 9.445 2.158 -21.990 1.00 25.00 C ATOM 82 C LEU A 6 8.336 2.409 -23.003 1.00 25.00 C ATOM 83 O LEU A 6 8.617 2.724 -24.164 1.00 25.00 O ATOM 84 CB LEU A 6 9.810 0.658 -22.039 1.00 25.00 C ATOM 85 CG LEU A 6 10.951 0.172 -21.146 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.037 -1.344 -21.157 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.290 0.738 -21.581 1.00 25.00 C ATOM 0 H LEU A 6 8.973 1.757 -19.979 1.00 25.00 H new ATOM 0 HA LEU A 6 10.300 2.780 -22.258 1.00 25.00 H new ATOM 0 HB2 LEU A 6 8.917 0.088 -21.782 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.062 0.408 -23.070 1.00 25.00 H new ATOM 0 HG LEU A 6 10.730 0.525 -20.139 1.00 25.00 H new ATOM 0 HD11 LEU A 6 11.856 -1.667 -20.514 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.101 -1.764 -20.790 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.216 -1.691 -22.175 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.074 0.368 -20.920 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.501 0.427 -22.604 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.258 1.826 -21.532 1.00 25.00 H new ATOM 99 N ASN A 7 7.088 2.215 -22.575 1.00 25.00 N ATOM 100 CA ASN A 7 5.883 2.447 -23.396 1.00 25.00 C ATOM 101 C ASN A 7 5.991 1.861 -24.837 1.00 25.00 C ATOM 102 O ASN A 7 5.620 2.529 -25.791 1.00 25.00 O ATOM 103 CB ASN A 7 5.566 3.961 -23.434 1.00 25.00 C ATOM 104 CG ASN A 7 5.118 4.491 -22.100 1.00 25.00 C ATOM 105 OD1 ASN A 7 5.787 5.277 -21.464 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.945 4.075 -21.664 1.00 25.00 N ATOM 0 H ASN A 7 6.875 1.887 -21.633 1.00 25.00 H new ATOM 0 HA ASN A 7 5.062 1.909 -22.922 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.452 4.506 -23.758 1.00 25.00 H new ATOM 0 HB3 ASN A 7 4.788 4.147 -24.175 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.582 4.415 -20.773 1.00 25.00 H new ATOM 0 HD22 ASN A 7 3.401 3.413 -22.217 1.00 25.00 H new ATOM 113 N VAL A 8 6.417 0.604 -24.941 1.00 25.00 N ATOM 114 CA VAL A 8 6.548 -0.063 -26.259 1.00 25.00 C ATOM 115 C VAL A 8 5.771 -1.364 -26.166 1.00 25.00 C ATOM 116 O VAL A 8 5.632 -1.921 -25.079 1.00 25.00 O ATOM 117 CB VAL A 8 8.074 -0.310 -26.623 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.748 -1.314 -25.671 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.228 -0.790 -28.059 1.00 25.00 C ATOM 0 H VAL A 8 6.678 0.022 -24.145 1.00 25.00 H new ATOM 0 HA VAL A 8 6.148 0.561 -27.058 1.00 25.00 H new ATOM 0 HB VAL A 8 8.574 0.652 -26.510 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.790 -1.448 -25.962 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.703 -0.934 -24.650 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.230 -2.271 -25.725 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.284 -0.950 -28.278 1.00 25.00 H new ATOM 0 HG22 VAL A 8 7.684 -1.726 -28.190 1.00 25.00 H new ATOM 0 HG23 VAL A 8 7.826 -0.039 -28.739 1.00 25.00 H new ATOM 129 N LEU A 9 5.254 -1.857 -27.276 1.00 25.00 N ATOM 130 CA LEU A 9 4.487 -3.098 -27.311 1.00 25.00 C ATOM 131 C LEU A 9 5.306 -4.201 -27.907 1.00 25.00 C ATOM 132 O LEU A 9 6.249 -3.959 -28.651 1.00 25.00 O ATOM 133 CB LEU A 9 3.224 -2.987 -28.165 1.00 25.00 C ATOM 134 CG LEU A 9 2.704 -1.597 -28.516 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.661 -1.714 -29.598 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.102 -0.909 -27.271 1.00 25.00 C ATOM 0 H LEU A 9 5.352 -1.408 -28.187 1.00 25.00 H new ATOM 0 HA LEU A 9 4.214 -3.305 -26.276 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.407 -3.518 -29.099 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.426 -3.519 -27.647 1.00 25.00 H new ATOM 0 HG LEU A 9 3.534 -0.988 -28.873 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.287 -0.722 -29.852 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.104 -2.172 -30.482 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.837 -2.333 -29.243 1.00 25.00 H new ATOM 0 HD21 LEU A 9 1.737 0.081 -27.543 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.276 -1.508 -26.888 1.00 25.00 H new ATOM 0 HD23 LEU A 9 2.868 -0.814 -26.501 1.00 25.00 H new ATOM 148 N ALA A 10 4.871 -5.415 -27.666 1.00 25.00 N ATOM 149 CA ALA A 10 5.468 -6.567 -28.322 1.00 25.00 C ATOM 150 C ALA A 10 4.415 -7.651 -28.621 1.00 25.00 C ATOM 151 O ALA A 10 3.416 -7.739 -27.937 1.00 25.00 O ATOM 152 CB ALA A 10 6.571 -7.152 -27.431 1.00 25.00 C ATOM 0 H ALA A 10 4.110 -5.636 -27.024 1.00 25.00 H new ATOM 0 HA ALA A 10 5.892 -6.236 -29.270 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.017 -8.015 -27.924 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.337 -6.397 -27.258 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.143 -7.460 -26.477 1.00 25.00 H new ATOM 158 N LYS A 11 4.666 -8.464 -29.627 1.00 25.00 N ATOM 159 CA LYS A 11 3.770 -9.557 -30.053 1.00 25.00 C ATOM 160 C LYS A 11 4.376 -10.892 -29.667 1.00 25.00 C ATOM 161 O LYS A 11 5.569 -11.104 -29.917 1.00 25.00 O ATOM 162 CB LYS A 11 3.570 -9.524 -31.579 1.00 25.00 C ATOM 163 CG LYS A 11 2.718 -10.667 -32.158 1.00 25.00 C ATOM 164 CD LYS A 11 2.672 -10.567 -33.672 1.00 25.00 C ATOM 165 CE LYS A 11 1.799 -11.658 -34.280 1.00 25.00 C ATOM 166 NZ LYS A 11 1.774 -11.533 -35.778 1.00 25.00 N ATOM 0 H LYS A 11 5.512 -8.394 -30.193 1.00 25.00 H new ATOM 0 HA LYS A 11 2.806 -9.427 -29.561 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.105 -8.575 -31.847 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.549 -9.545 -32.057 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.136 -11.629 -31.862 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.708 -10.620 -31.752 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.287 -9.589 -33.961 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.683 -10.643 -34.073 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.181 -12.639 -33.997 1.00 25.00 H new ATOM 0 HE3 LYS A 11 0.786 -11.584 -33.885 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 1.175 -12.283 -36.179 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.389 -10.604 -36.042 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.741 -11.626 -36.150 1.00 25.00 H new ATOM 180 N ALA A 12 3.569 -11.758 -29.090 1.00 25.00 N ATOM 181 CA ALA A 12 4.023 -13.106 -28.757 1.00 25.00 C ATOM 182 C ALA A 12 4.176 -13.962 -30.003 1.00 25.00 C ATOM 183 O ALA A 12 3.310 -13.939 -30.885 1.00 25.00 O ATOM 184 CB ALA A 12 3.012 -13.739 -27.819 1.00 25.00 C ATOM 0 H ALA A 12 2.600 -11.561 -28.840 1.00 25.00 H new ATOM 0 HA ALA A 12 5.000 -13.042 -28.278 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.337 -14.747 -27.561 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.932 -13.140 -26.912 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.040 -13.786 -28.310 1.00 25.00 H new ATOM 190 N LEU A 13 5.277 -14.689 -30.089 1.00 25.00 N ATOM 191 CA LEU A 13 5.510 -15.595 -31.211 1.00 25.00 C ATOM 192 C LEU A 13 5.076 -17.001 -30.839 1.00 25.00 C ATOM 193 O LEU A 13 4.559 -17.758 -31.658 1.00 25.00 O ATOM 194 CB LEU A 13 6.987 -15.612 -31.564 1.00 25.00 C ATOM 195 CG LEU A 13 7.626 -14.285 -32.001 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.110 -14.474 -32.165 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.034 -13.760 -33.313 1.00 25.00 C ATOM 0 H LEU A 13 6.026 -14.673 -29.397 1.00 25.00 H new ATOM 0 HA LEU A 13 4.932 -15.247 -32.067 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.536 -15.981 -30.697 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.133 -16.336 -32.366 1.00 25.00 H new ATOM 0 HG LEU A 13 7.417 -13.548 -31.225 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.565 -13.533 -32.475 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.543 -14.791 -31.216 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.298 -15.235 -32.922 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.518 -12.820 -33.580 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.199 -14.491 -34.105 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.964 -13.595 -33.189 1.00 25.00 H new ATOM 209 N TYR A 14 5.262 -17.326 -29.568 1.00 25.00 N ATOM 210 CA TYR A 14 4.927 -18.636 -29.024 1.00 25.00 C ATOM 211 C TYR A 14 3.890 -18.402 -27.927 1.00 25.00 C ATOM 212 O TYR A 14 3.723 -17.286 -27.483 1.00 25.00 O ATOM 213 CB TYR A 14 6.209 -19.274 -28.508 1.00 25.00 C ATOM 214 CG TYR A 14 7.379 -19.227 -29.466 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.306 -18.177 -29.404 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.571 -20.237 -30.438 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.422 -18.121 -30.305 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.671 -20.176 -31.332 1.00 25.00 C ATOM 219 CZ TYR A 14 9.613 -19.131 -31.247 1.00 25.00 C ATOM 220 OH TYR A 14 10.697 -19.095 -32.062 1.00 25.00 O ATOM 0 H TYR A 14 5.653 -16.683 -28.879 1.00 25.00 H new ATOM 0 HA TYR A 14 4.503 -19.318 -29.761 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.497 -18.776 -27.582 1.00 25.00 H new ATOM 0 HB3 TYR A 14 6.004 -20.315 -28.260 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.178 -17.398 -28.667 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.875 -21.061 -30.500 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.115 -17.295 -30.253 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.788 -20.940 -32.087 1.00 25.00 H new ATOM 0 HH TYR A 14 10.683 -19.872 -32.659 1.00 25.00 H new ATOM 230 N ASP A 15 3.207 -19.448 -27.483 1.00 25.00 N ATOM 231 CA ASP A 15 2.234 -19.318 -26.399 1.00 25.00 C ATOM 232 C ASP A 15 2.777 -19.843 -25.085 1.00 25.00 C ATOM 233 O ASP A 15 3.732 -20.620 -25.064 1.00 25.00 O ATOM 234 CB ASP A 15 0.956 -20.077 -26.793 1.00 25.00 C ATOM 235 CG ASP A 15 1.199 -21.531 -27.084 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.599 -22.329 -26.375 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.784 -21.868 -28.145 1.00 25.00 O ATOM 0 H ASP A 15 3.305 -20.394 -27.853 1.00 25.00 H new ATOM 0 HA ASP A 15 2.015 -18.261 -26.250 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.227 -19.991 -25.987 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.517 -19.605 -27.672 1.00 25.00 H new ATOM 242 N ASN A 16 2.222 -19.344 -23.989 1.00 25.00 N ATOM 243 CA ASN A 16 2.646 -19.697 -22.627 1.00 25.00 C ATOM 244 C ASN A 16 1.529 -19.292 -21.631 1.00 25.00 C ATOM 245 O ASN A 16 1.406 -18.114 -21.244 1.00 25.00 O ATOM 246 CB ASN A 16 3.959 -18.933 -22.329 1.00 25.00 C ATOM 247 CG ASN A 16 4.658 -19.459 -21.108 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.683 -20.102 -21.201 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.129 -19.146 -19.962 1.00 25.00 N ATOM 0 H ASN A 16 1.454 -18.673 -24.013 1.00 25.00 H new ATOM 0 HA ASN A 16 2.819 -20.769 -22.528 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.625 -19.010 -23.188 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.738 -17.875 -22.191 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.577 -19.443 -19.095 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.266 -18.604 -19.930 1.00 25.00 H new ATOM 256 N VAL A 17 0.700 -20.236 -21.228 1.00 25.00 N ATOM 257 CA VAL A 17 -0.255 -19.955 -20.178 1.00 25.00 C ATOM 258 C VAL A 17 0.546 -20.025 -18.862 1.00 25.00 C ATOM 259 O VAL A 17 1.477 -20.811 -18.771 1.00 25.00 O ATOM 260 CB VAL A 17 -1.480 -20.932 -20.168 1.00 25.00 C ATOM 261 CG1 VAL A 17 -2.305 -20.739 -21.476 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.052 -22.415 -19.995 1.00 25.00 C ATOM 0 H VAL A 17 0.669 -21.184 -21.603 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.707 -18.975 -20.330 1.00 25.00 H new ATOM 0 HB VAL A 17 -2.100 -20.688 -19.305 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -3.158 -21.418 -21.472 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -2.660 -19.710 -21.534 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.675 -20.954 -22.339 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.937 -23.051 -19.994 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.398 -22.703 -20.818 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.520 -22.532 -19.051 1.00 25.00 H new ATOM 272 N ALA A 18 0.279 -19.128 -17.925 1.00 25.00 N ATOM 273 CA ALA A 18 1.061 -18.988 -16.693 1.00 25.00 C ATOM 274 C ALA A 18 0.870 -20.178 -15.740 1.00 25.00 C ATOM 275 O ALA A 18 -0.263 -20.645 -15.507 1.00 25.00 O ATOM 276 CB ALA A 18 0.717 -17.646 -15.986 1.00 25.00 C ATOM 0 H ALA A 18 -0.494 -18.466 -17.994 1.00 25.00 H new ATOM 0 HA ALA A 18 2.114 -18.979 -16.974 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.305 -17.555 -15.073 1.00 25.00 H new ATOM 0 HB2 ALA A 18 0.949 -16.814 -16.651 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.344 -17.627 -15.738 1.00 25.00 H new ATOM 282 N GLU A 19 1.991 -20.569 -15.111 1.00 25.00 N ATOM 283 CA GLU A 19 2.033 -21.604 -14.084 1.00 25.00 C ATOM 284 C GLU A 19 2.343 -21.000 -12.715 1.00 25.00 C ATOM 285 O GLU A 19 2.200 -21.662 -11.687 1.00 25.00 O ATOM 286 CB GLU A 19 3.068 -22.680 -14.470 1.00 25.00 C ATOM 287 CG GLU A 19 4.540 -22.224 -14.450 1.00 25.00 C ATOM 288 CD GLU A 19 5.498 -23.403 -14.628 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.586 -23.360 -14.015 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.156 -24.371 -15.360 1.00 25.00 O ATOM 0 H GLU A 19 2.905 -20.163 -15.311 1.00 25.00 H new ATOM 0 HA GLU A 19 1.053 -22.076 -14.016 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.959 -23.525 -13.790 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.832 -23.043 -15.470 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.707 -21.496 -15.244 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.753 -21.721 -13.507 1.00 25.00 H new ATOM 297 N SER A 20 2.716 -19.729 -12.668 1.00 25.00 N ATOM 298 CA SER A 20 3.071 -19.047 -11.409 1.00 25.00 C ATOM 299 C SER A 20 2.346 -17.699 -11.299 1.00 25.00 C ATOM 300 O SER A 20 1.955 -17.119 -12.299 1.00 25.00 O ATOM 301 CB SER A 20 4.582 -18.824 -11.397 1.00 25.00 C ATOM 302 OG SER A 20 5.250 -20.077 -11.468 1.00 25.00 O ATOM 0 H SER A 20 2.784 -19.134 -13.493 1.00 25.00 H new ATOM 0 HA SER A 20 2.769 -19.662 -10.562 1.00 25.00 H new ATOM 0 HB2 SER A 20 4.874 -18.197 -12.239 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.875 -18.296 -10.490 1.00 25.00 H new ATOM 0 HG SER A 20 6.219 -19.932 -11.462 1.00 25.00 H new ATOM 308 N PRO A 21 2.202 -17.165 -10.072 1.00 25.00 N ATOM 309 CA PRO A 21 1.499 -15.878 -9.991 1.00 25.00 C ATOM 310 C PRO A 21 2.299 -14.694 -10.549 1.00 25.00 C ATOM 311 O PRO A 21 1.706 -13.674 -10.918 1.00 25.00 O ATOM 312 CB PRO A 21 1.258 -15.729 -8.495 1.00 25.00 C ATOM 313 CG PRO A 21 2.432 -16.406 -7.880 1.00 25.00 C ATOM 314 CD PRO A 21 2.589 -17.642 -8.725 1.00 25.00 C ATOM 0 HA PRO A 21 0.593 -15.871 -10.597 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.201 -14.681 -8.201 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.321 -16.197 -8.192 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.323 -15.779 -7.913 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.254 -16.652 -6.833 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.612 -18.018 -8.707 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.945 -18.452 -8.382 1.00 25.00 H new ATOM 322 N ASP A 22 3.619 -14.855 -10.603 1.00 25.00 N ATOM 323 CA ASP A 22 4.528 -13.819 -11.104 1.00 25.00 C ATOM 324 C ASP A 22 4.473 -13.787 -12.600 1.00 25.00 C ATOM 325 O ASP A 22 4.998 -12.885 -13.229 1.00 25.00 O ATOM 326 CB ASP A 22 5.978 -14.179 -10.704 1.00 25.00 C ATOM 327 CG ASP A 22 6.687 -13.028 -10.017 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.867 -13.087 -8.781 1.00 25.00 O ATOM 329 OD2 ASP A 22 7.046 -12.043 -10.701 1.00 25.00 O ATOM 0 H ASP A 22 4.092 -15.707 -10.301 1.00 25.00 H new ATOM 0 HA ASP A 22 4.233 -12.857 -10.686 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.966 -15.044 -10.040 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.537 -14.468 -11.594 1.00 25.00 H new ATOM 334 N GLU A 23 3.934 -14.836 -13.193 1.00 25.00 N ATOM 335 CA GLU A 23 4.034 -15.042 -14.646 1.00 25.00 C ATOM 336 C GLU A 23 2.758 -14.560 -15.339 1.00 25.00 C ATOM 337 O GLU A 23 1.663 -14.582 -14.781 1.00 25.00 O ATOM 338 CB GLU A 23 4.310 -16.526 -14.920 1.00 25.00 C ATOM 339 CG GLU A 23 4.898 -16.841 -16.284 1.00 25.00 C ATOM 340 CD GLU A 23 5.185 -18.321 -16.397 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.308 -18.680 -16.774 1.00 25.00 O ATOM 342 OE2 GLU A 23 4.257 -19.114 -16.179 1.00 25.00 O ATOM 0 H GLU A 23 3.420 -15.566 -12.700 1.00 25.00 H new ATOM 0 HA GLU A 23 4.859 -14.457 -15.053 1.00 25.00 H new ATOM 0 HB2 GLU A 23 4.992 -16.898 -14.155 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.376 -17.078 -14.810 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.204 -16.537 -17.067 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.816 -16.272 -16.433 1.00 25.00 H new ATOM 349 N LEU A 24 2.895 -14.121 -16.577 1.00 25.00 N ATOM 350 CA LEU A 24 1.757 -13.660 -17.347 1.00 25.00 C ATOM 351 C LEU A 24 1.241 -14.733 -18.307 1.00 25.00 C ATOM 352 O LEU A 24 2.014 -15.349 -19.020 1.00 25.00 O ATOM 353 CB LEU A 24 2.150 -12.409 -18.124 1.00 25.00 C ATOM 354 CG LEU A 24 1.238 -11.188 -17.882 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.809 -9.968 -18.563 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.173 -11.425 -18.403 1.00 25.00 C ATOM 0 H LEU A 24 3.786 -14.074 -17.071 1.00 25.00 H new ATOM 0 HA LEU A 24 0.948 -13.432 -16.652 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.173 -12.140 -17.860 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.147 -12.643 -19.189 1.00 25.00 H new ATOM 0 HG LEU A 24 1.190 -11.031 -16.804 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.157 -9.113 -18.385 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.800 -9.758 -18.162 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.883 -10.151 -19.635 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.784 -10.542 -18.214 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.137 -11.618 -19.475 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.609 -12.284 -17.894 1.00 25.00 H new ATOM 368 N SER A 25 -0.078 -14.913 -18.324 1.00 25.00 N ATOM 369 CA SER A 25 -0.731 -15.893 -19.203 1.00 25.00 C ATOM 370 C SER A 25 -1.003 -15.255 -20.554 1.00 25.00 C ATOM 371 O SER A 25 -1.926 -14.462 -20.695 1.00 25.00 O ATOM 372 CB SER A 25 -2.071 -16.312 -18.595 1.00 25.00 C ATOM 373 OG SER A 25 -2.549 -15.312 -17.719 1.00 25.00 O ATOM 0 H SER A 25 -0.725 -14.389 -17.734 1.00 25.00 H new ATOM 0 HA SER A 25 -0.080 -16.760 -19.316 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.798 -16.488 -19.388 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.955 -17.252 -18.055 1.00 25.00 H new ATOM 0 HG SER A 25 -3.407 -15.593 -17.339 1.00 25.00 H new ATOM 379 N PHE A 26 -0.207 -15.597 -21.552 1.00 25.00 N ATOM 380 CA PHE A 26 -0.374 -15.010 -22.893 1.00 25.00 C ATOM 381 C PHE A 26 -0.295 -16.128 -23.937 1.00 25.00 C ATOM 382 O PHE A 26 0.158 -17.227 -23.660 1.00 25.00 O ATOM 383 CB PHE A 26 0.709 -13.959 -23.168 1.00 25.00 C ATOM 384 CG PHE A 26 2.102 -14.552 -23.225 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.635 -15.013 -24.437 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.876 -14.629 -22.066 1.00 25.00 C ATOM 387 CE1 PHE A 26 3.933 -15.553 -24.505 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.160 -15.203 -22.093 1.00 25.00 C ATOM 389 CZ PHE A 26 4.695 -15.666 -23.316 1.00 25.00 C ATOM 0 H PHE A 26 0.556 -16.269 -21.473 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.344 -14.516 -22.948 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.493 -13.460 -24.113 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.675 -13.197 -22.390 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.038 -14.953 -25.335 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.484 -14.243 -21.137 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.342 -15.877 -25.450 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.735 -15.289 -21.183 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.682 -16.105 -23.344 1.00 25.00 H new ATOM 399 N ARG A 27 -0.770 -15.854 -25.145 1.00 25.00 N ATOM 400 CA ARG A 27 -0.768 -16.847 -26.227 1.00 25.00 C ATOM 401 C ARG A 27 -0.089 -16.245 -27.449 1.00 25.00 C ATOM 402 O ARG A 27 0.048 -15.034 -27.549 1.00 25.00 O ATOM 403 CB ARG A 27 -2.217 -17.308 -26.548 1.00 25.00 C ATOM 404 CG ARG A 27 -2.855 -18.122 -25.406 1.00 25.00 C ATOM 405 CD ARG A 27 -4.118 -18.808 -25.904 1.00 25.00 C ATOM 406 NE ARG A 27 -5.131 -17.807 -26.260 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.306 -18.079 -26.820 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.707 -19.316 -27.049 1.00 25.00 N ATOM 409 NH2 ARG A 27 -7.082 -17.096 -27.156 1.00 25.00 N ATOM 0 H ARG A 27 -1.164 -14.951 -25.407 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.212 -17.731 -25.916 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.834 -16.433 -26.752 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.208 -17.911 -27.456 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.148 -18.865 -25.038 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.093 -17.466 -24.569 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.887 -19.427 -26.771 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.508 -19.473 -25.133 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.918 -16.829 -26.063 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.108 -20.102 -26.794 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.615 -19.486 -27.481 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.787 -16.134 -26.990 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.987 -17.285 -27.587 1.00 25.00 H new ATOM 423 N LYS A 28 0.324 -17.080 -28.387 1.00 25.00 N ATOM 424 CA LYS A 28 0.950 -16.612 -29.611 1.00 25.00 C ATOM 425 C LYS A 28 -0.015 -15.631 -30.281 1.00 25.00 C ATOM 426 O LYS A 28 -1.230 -15.822 -30.256 1.00 25.00 O ATOM 427 CB LYS A 28 1.262 -17.809 -30.538 1.00 25.00 C ATOM 428 CG LYS A 28 0.021 -18.575 -31.041 1.00 25.00 C ATOM 429 CD LYS A 28 0.331 -19.677 -32.025 1.00 25.00 C ATOM 430 CE LYS A 28 0.968 -20.889 -31.370 1.00 25.00 C ATOM 431 NZ LYS A 28 1.154 -22.002 -32.359 1.00 25.00 N ATOM 0 H LYS A 28 0.236 -18.094 -28.323 1.00 25.00 H new ATOM 0 HA LYS A 28 1.894 -16.111 -29.397 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.823 -17.447 -31.400 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.910 -18.505 -30.005 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.499 -19.004 -30.185 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.664 -17.868 -31.509 1.00 25.00 H new ATOM 0 HD2 LYS A 28 -0.589 -19.981 -32.524 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.000 -19.293 -32.795 1.00 25.00 H new ATOM 0 HE2 LYS A 28 1.932 -20.611 -30.944 1.00 25.00 H new ATOM 0 HE3 LYS A 28 0.343 -21.232 -30.546 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 1.591 -22.818 -31.885 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.230 -22.281 -32.746 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.770 -21.680 -33.132 1.00 25.00 H new ATOM 445 N GLY A 29 0.517 -14.552 -30.832 1.00 25.00 N ATOM 446 CA GLY A 29 -0.309 -13.584 -31.530 1.00 25.00 C ATOM 447 C GLY A 29 -0.903 -12.482 -30.666 1.00 25.00 C ATOM 448 O GLY A 29 -1.384 -11.497 -31.199 1.00 25.00 O ATOM 0 H GLY A 29 1.511 -14.326 -30.809 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.289 -13.122 -32.316 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.124 -14.116 -32.021 1.00 25.00 H new ATOM 452 N ASP A 30 -0.871 -12.644 -29.358 1.00 25.00 N ATOM 453 CA ASP A 30 -1.351 -11.620 -28.447 1.00 25.00 C ATOM 454 C ASP A 30 -0.324 -10.474 -28.425 1.00 25.00 C ATOM 455 O ASP A 30 0.806 -10.638 -28.896 1.00 25.00 O ATOM 456 CB ASP A 30 -1.505 -12.236 -27.049 1.00 25.00 C ATOM 457 CG ASP A 30 -2.690 -11.672 -26.278 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.260 -12.431 -25.456 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.075 -10.527 -26.542 1.00 25.00 O ATOM 0 H ASP A 30 -0.515 -13.482 -28.898 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.317 -11.231 -28.767 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.621 -13.316 -27.144 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.592 -12.063 -26.479 1.00 25.00 H new ATOM 464 N ILE A 31 -0.733 -9.323 -27.920 1.00 25.00 N ATOM 465 CA ILE A 31 0.097 -8.117 -27.843 1.00 25.00 C ATOM 466 C ILE A 31 0.140 -7.660 -26.394 1.00 25.00 C ATOM 467 O ILE A 31 -0.874 -7.500 -25.764 1.00 25.00 O ATOM 468 CB ILE A 31 -0.475 -6.929 -28.698 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.799 -7.338 -30.152 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.522 -5.722 -28.661 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.408 -7.749 -31.003 1.00 25.00 C ATOM 0 H ILE A 31 -1.671 -9.190 -27.542 1.00 25.00 H new ATOM 0 HA ILE A 31 1.082 -8.373 -28.233 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.423 -6.629 -28.250 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.506 -8.168 -30.129 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.301 -6.504 -30.643 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.121 -4.901 -29.255 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.656 -5.393 -27.631 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.483 -6.031 -29.071 1.00 25.00 H new ATOM 0 HD11 ILE A 31 0.072 -8.017 -32.005 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.109 -6.917 -31.066 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.902 -8.606 -30.544 1.00 25.00 H new ATOM 483 N MET A 32 1.329 -7.386 -25.878 1.00 25.00 N ATOM 484 CA MET A 32 1.474 -6.861 -24.516 1.00 25.00 C ATOM 485 C MET A 32 2.374 -5.652 -24.480 1.00 25.00 C ATOM 486 O MET A 32 3.283 -5.506 -25.327 1.00 25.00 O ATOM 487 CB MET A 32 2.006 -7.968 -23.601 1.00 25.00 C ATOM 488 CG MET A 32 3.371 -8.528 -24.038 1.00 25.00 C ATOM 489 SD MET A 32 3.609 -10.244 -23.634 1.00 25.00 S ATOM 490 CE MET A 32 2.537 -11.050 -24.870 1.00 25.00 C ATOM 0 H MET A 32 2.210 -7.516 -26.376 1.00 25.00 H new ATOM 0 HA MET A 32 0.495 -6.538 -24.160 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.091 -7.579 -22.586 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.282 -8.782 -23.571 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.477 -8.400 -25.115 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.161 -7.941 -23.568 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.690 -12.129 -24.836 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.494 -10.824 -24.649 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.786 -10.679 -25.864 1.00 25.00 H new ATOM 500 N THR A 33 2.204 -4.811 -23.476 1.00 25.00 N ATOM 501 CA THR A 33 3.034 -3.632 -23.302 1.00 25.00 C ATOM 502 C THR A 33 4.191 -4.069 -22.433 1.00 25.00 C ATOM 503 O THR A 33 3.978 -4.769 -21.454 1.00 25.00 O ATOM 504 CB THR A 33 2.274 -2.504 -22.559 1.00 25.00 C ATOM 505 OG1 THR A 33 1.018 -2.291 -23.202 1.00 25.00 O ATOM 506 CG2 THR A 33 3.043 -1.193 -22.555 1.00 25.00 C ATOM 0 H THR A 33 1.488 -4.925 -22.759 1.00 25.00 H new ATOM 0 HA THR A 33 3.342 -3.244 -24.273 1.00 25.00 H new ATOM 0 HB THR A 33 2.144 -2.821 -21.524 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.529 -1.580 -22.738 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.468 -0.436 -22.022 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.003 -1.336 -22.058 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.211 -0.866 -23.581 1.00 25.00 H new ATOM 514 N VAL A 34 5.408 -3.674 -22.769 1.00 25.00 N ATOM 515 CA VAL A 34 6.569 -3.996 -21.941 1.00 25.00 C ATOM 516 C VAL A 34 6.837 -2.777 -21.042 1.00 25.00 C ATOM 517 O VAL A 34 6.952 -1.642 -21.529 1.00 25.00 O ATOM 518 CB VAL A 34 7.812 -4.327 -22.788 1.00 25.00 C ATOM 519 CG1 VAL A 34 8.973 -4.722 -21.916 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.526 -5.499 -23.717 1.00 25.00 C ATOM 0 H VAL A 34 5.622 -3.131 -23.606 1.00 25.00 H new ATOM 0 HA VAL A 34 6.360 -4.886 -21.348 1.00 25.00 H new ATOM 0 HB VAL A 34 8.057 -3.431 -23.358 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.836 -4.950 -22.541 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.219 -3.900 -21.243 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.706 -5.602 -21.331 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.415 -5.720 -24.308 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.257 -6.374 -23.126 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.702 -5.243 -24.383 1.00 25.00 H new ATOM 530 N LEU A 35 6.912 -3.038 -19.733 1.00 25.00 N ATOM 531 CA LEU A 35 7.088 -1.987 -18.732 1.00 25.00 C ATOM 532 C LEU A 35 8.531 -1.861 -18.333 1.00 25.00 C ATOM 533 O LEU A 35 9.037 -0.758 -18.194 1.00 25.00 O ATOM 534 CB LEU A 35 6.267 -2.305 -17.488 1.00 25.00 C ATOM 535 CG LEU A 35 4.760 -2.546 -17.669 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.127 -2.634 -16.298 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.081 -1.404 -18.470 1.00 25.00 C ATOM 0 H LEU A 35 6.853 -3.978 -19.342 1.00 25.00 H new ATOM 0 HA LEU A 35 6.753 -1.049 -19.174 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.695 -3.192 -17.022 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.393 -1.483 -16.784 1.00 25.00 H new ATOM 0 HG LEU A 35 4.622 -3.470 -18.231 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.056 -2.805 -16.402 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.574 -3.459 -15.743 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.295 -1.701 -15.759 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.017 -1.615 -18.574 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.213 -0.460 -17.941 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.535 -1.333 -19.458 1.00 25.00 H new ATOM 549 N GLU A 36 9.171 -3.004 -18.143 1.00 25.00 N ATOM 550 CA GLU A 36 10.570 -3.082 -17.722 1.00 25.00 C ATOM 551 C GLU A 36 11.202 -4.279 -18.453 1.00 25.00 C ATOM 552 O GLU A 36 10.495 -5.177 -18.928 1.00 25.00 O ATOM 553 CB GLU A 36 10.648 -3.261 -16.174 1.00 25.00 C ATOM 554 CG GLU A 36 11.952 -2.766 -15.496 1.00 25.00 C ATOM 555 CD GLU A 36 12.012 -1.250 -15.470 1.00 25.00 C ATOM 556 OE1 GLU A 36 12.665 -0.686 -16.371 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.325 -0.644 -14.623 1.00 25.00 O ATOM 0 H GLU A 36 8.734 -3.916 -18.277 1.00 25.00 H new ATOM 0 HA GLU A 36 11.109 -2.168 -17.971 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.806 -2.734 -15.725 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.522 -4.319 -15.944 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.006 -3.153 -14.478 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.816 -3.158 -16.032 1.00 25.00 H new ATOM 564 N ARG A 37 12.526 -4.312 -18.515 1.00 25.00 N ATOM 565 CA ARG A 37 13.255 -5.467 -19.054 1.00 25.00 C ATOM 566 C ARG A 37 14.316 -5.902 -18.036 1.00 25.00 C ATOM 567 O ARG A 37 14.871 -5.074 -17.319 1.00 25.00 O ATOM 568 CB ARG A 37 13.887 -5.155 -20.408 1.00 25.00 C ATOM 569 CG ARG A 37 12.872 -4.768 -21.482 1.00 25.00 C ATOM 570 CD ARG A 37 13.484 -4.801 -22.901 1.00 25.00 C ATOM 571 NE ARG A 37 14.414 -3.710 -23.194 1.00 25.00 N ATOM 572 CZ ARG A 37 15.748 -3.785 -23.109 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.378 -4.856 -22.703 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.455 -2.729 -23.441 1.00 25.00 N ATOM 0 H ARG A 37 13.126 -3.550 -18.198 1.00 25.00 H new ATOM 0 HA ARG A 37 12.552 -6.283 -19.220 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.603 -4.342 -20.287 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.448 -6.026 -20.747 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.022 -5.449 -21.439 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.490 -3.768 -21.276 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.005 -5.749 -23.035 1.00 25.00 H new ATOM 0 HD3 ARG A 37 12.675 -4.776 -23.631 1.00 25.00 H new ATOM 0 HE ARG A 37 14.013 -2.819 -23.487 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.851 -5.686 -22.433 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.397 -4.861 -22.656 1.00 25.00 H new ATOM 0 HH21 ARG A 37 15.986 -1.879 -23.754 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.473 -2.759 -23.386 1.00 25.00 H new ATOM 588 N ASP A 38 14.533 -7.217 -17.956 1.00 25.00 N ATOM 589 CA ASP A 38 15.481 -7.849 -17.003 1.00 25.00 C ATOM 590 C ASP A 38 15.031 -7.464 -15.581 1.00 25.00 C ATOM 591 O ASP A 38 15.835 -7.109 -14.731 1.00 25.00 O ATOM 592 CB ASP A 38 16.950 -7.479 -17.300 1.00 25.00 C ATOM 593 CG ASP A 38 17.387 -7.839 -18.731 1.00 25.00 C ATOM 594 OD1 ASP A 38 18.475 -7.421 -19.141 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.564 -8.436 -19.498 1.00 25.00 O ATOM 0 H ASP A 38 14.055 -7.891 -18.554 1.00 25.00 H new ATOM 0 HA ASP A 38 15.456 -8.934 -17.109 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.088 -6.409 -17.143 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.598 -7.991 -16.589 1.00 25.00 H new ATOM 600 N THR A 39 13.726 -7.533 -15.369 1.00 25.00 N ATOM 601 CA THR A 39 13.091 -7.053 -14.139 1.00 25.00 C ATOM 602 C THR A 39 13.392 -7.861 -12.879 1.00 25.00 C ATOM 603 O THR A 39 13.145 -7.384 -11.784 1.00 25.00 O ATOM 604 CB THR A 39 11.561 -7.048 -14.319 1.00 25.00 C ATOM 605 OG1 THR A 39 10.934 -6.475 -13.167 1.00 25.00 O ATOM 606 CG2 THR A 39 10.992 -8.469 -14.505 1.00 25.00 C ATOM 0 H THR A 39 13.070 -7.924 -16.045 1.00 25.00 H new ATOM 0 HA THR A 39 13.513 -6.060 -13.986 1.00 25.00 H new ATOM 0 HB THR A 39 11.353 -6.462 -15.214 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.564 -6.478 -12.416 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.910 -8.415 -14.628 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.435 -8.925 -15.390 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.228 -9.073 -13.629 1.00 25.00 H new ATOM 614 N GLN A 40 13.926 -9.072 -13.027 1.00 25.00 N ATOM 615 CA GLN A 40 14.282 -9.901 -11.872 1.00 25.00 C ATOM 616 C GLN A 40 15.788 -10.176 -11.896 1.00 25.00 C ATOM 617 O GLN A 40 16.297 -11.101 -11.273 1.00 25.00 O ATOM 618 CB GLN A 40 13.461 -11.202 -11.873 1.00 25.00 C ATOM 619 CG GLN A 40 12.632 -11.352 -10.594 1.00 25.00 C ATOM 620 CD GLN A 40 11.856 -12.664 -10.542 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.423 -13.740 -10.502 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.545 -12.560 -10.567 1.00 25.00 N ATOM 0 H GLN A 40 14.122 -9.502 -13.931 1.00 25.00 H new ATOM 0 HA GLN A 40 14.044 -9.373 -10.948 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.799 -11.213 -12.739 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.132 -12.055 -11.974 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.293 -11.292 -9.729 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.933 -10.519 -10.520 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.107 -11.639 -10.600 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.966 -13.400 -10.553 1.00 25.00 H new ATOM 631 N GLY A 41 16.499 -9.377 -12.685 1.00 25.00 N ATOM 632 CA GLY A 41 17.925 -9.527 -12.850 1.00 25.00 C ATOM 633 C GLY A 41 18.273 -10.593 -13.885 1.00 25.00 C ATOM 634 O GLY A 41 19.341 -10.570 -14.488 1.00 25.00 O ATOM 0 H GLY A 41 16.096 -8.611 -13.224 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.357 -8.573 -13.153 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.375 -9.791 -11.893 1.00 25.00 H new ATOM 638 N LEU A 42 17.335 -11.495 -14.126 1.00 25.00 N ATOM 639 CA LEU A 42 17.494 -12.543 -15.159 1.00 25.00 C ATOM 640 C LEU A 42 17.492 -11.905 -16.550 1.00 25.00 C ATOM 641 O LEU A 42 16.480 -11.301 -16.930 1.00 25.00 O ATOM 642 CB LEU A 42 16.317 -13.550 -15.117 1.00 25.00 C ATOM 643 CG LEU A 42 16.169 -14.360 -13.820 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.848 -15.084 -13.819 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.279 -15.388 -13.690 1.00 25.00 C ATOM 0 H LEU A 42 16.447 -11.534 -13.626 1.00 25.00 H new ATOM 0 HA LEU A 42 18.434 -13.057 -14.960 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.390 -13.002 -15.288 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.432 -14.248 -15.946 1.00 25.00 H new ATOM 0 HG LEU A 42 16.224 -13.664 -12.983 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.748 -15.657 -12.897 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.036 -14.360 -13.886 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.803 -15.760 -14.673 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.150 -15.947 -12.763 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.241 -16.074 -14.536 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.244 -14.882 -13.677 1.00 25.00 H new ATOM 657 N ASP A 43 18.581 -12.062 -17.294 1.00 25.00 N ATOM 658 CA ASP A 43 18.666 -11.506 -18.660 1.00 25.00 C ATOM 659 C ASP A 43 17.521 -12.027 -19.508 1.00 25.00 C ATOM 660 O ASP A 43 17.253 -13.213 -19.562 1.00 25.00 O ATOM 661 CB ASP A 43 19.980 -11.900 -19.381 1.00 25.00 C ATOM 662 CG ASP A 43 21.182 -11.275 -18.760 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.025 -10.237 -18.082 1.00 25.00 O ATOM 664 OD2 ASP A 43 22.288 -11.785 -18.984 1.00 25.00 O ATOM 0 H ASP A 43 19.415 -12.563 -16.988 1.00 25.00 H new ATOM 0 HA ASP A 43 18.626 -10.422 -18.549 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.089 -12.984 -19.364 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.920 -11.602 -20.428 1.00 25.00 H new ATOM 669 N GLY A 44 16.871 -11.106 -20.211 1.00 25.00 N ATOM 670 CA GLY A 44 15.815 -11.453 -21.139 1.00 25.00 C ATOM 671 C GLY A 44 14.437 -11.636 -20.516 1.00 25.00 C ATOM 672 O GLY A 44 13.488 -11.930 -21.250 1.00 25.00 O ATOM 0 H GLY A 44 17.064 -10.106 -20.151 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.752 -10.675 -21.900 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.091 -12.376 -21.649 1.00 25.00 H new ATOM 676 N TRP A 45 14.280 -11.475 -19.212 1.00 25.00 N ATOM 677 CA TRP A 45 12.950 -11.630 -18.595 1.00 25.00 C ATOM 678 C TRP A 45 12.270 -10.277 -18.428 1.00 25.00 C ATOM 679 O TRP A 45 12.634 -9.471 -17.577 1.00 25.00 O ATOM 680 CB TRP A 45 13.076 -12.395 -17.291 1.00 25.00 C ATOM 681 CG TRP A 45 13.080 -13.848 -17.570 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.157 -14.629 -17.829 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.938 -14.729 -17.637 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.793 -15.932 -18.076 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.434 -16.034 -17.962 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.558 -14.548 -17.431 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.592 -17.148 -18.076 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.690 -15.663 -17.562 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.231 -16.966 -17.885 1.00 25.00 C ATOM 0 H TRP A 45 15.032 -11.242 -18.563 1.00 25.00 H new ATOM 0 HA TRP A 45 12.306 -12.214 -19.253 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.994 -12.110 -16.777 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.248 -12.143 -16.628 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.176 -14.272 -17.840 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.430 -16.695 -18.306 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.165 -13.575 -17.177 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.993 -18.124 -18.307 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.626 -15.539 -17.421 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.564 -17.810 -17.979 1.00 25.00 H new ATOM 700 N TRP A 46 11.329 -9.991 -19.329 1.00 25.00 N ATOM 701 CA TRP A 46 10.697 -8.678 -19.396 1.00 25.00 C ATOM 702 C TRP A 46 9.457 -8.614 -18.569 1.00 25.00 C ATOM 703 O TRP A 46 8.643 -9.539 -18.551 1.00 25.00 O ATOM 704 CB TRP A 46 10.329 -8.333 -20.833 1.00 25.00 C ATOM 705 CG TRP A 46 11.485 -8.331 -21.806 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.809 -8.578 -21.567 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.400 -8.078 -23.218 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.555 -8.453 -22.697 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.728 -8.142 -23.736 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.343 -7.809 -24.104 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.013 -7.940 -25.097 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.621 -7.624 -25.467 1.00 25.00 C ATOM 713 CH2 TRP A 46 11.964 -7.688 -25.953 1.00 25.00 C ATOM 0 H TRP A 46 10.989 -10.656 -20.024 1.00 25.00 H new ATOM 0 HA TRP A 46 11.422 -7.963 -19.007 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.582 -9.046 -21.182 1.00 25.00 H new ATOM 0 HB3 TRP A 46 9.861 -7.349 -20.846 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.212 -8.840 -20.600 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.566 -8.572 -22.758 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.328 -7.745 -23.740 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.028 -7.981 -25.462 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 9.812 -7.431 -26.156 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.158 -7.537 -27.005 1.00 25.00 H new ATOM 724 N LEU A 47 9.272 -7.485 -17.904 1.00 25.00 N ATOM 725 CA LEU A 47 8.045 -7.260 -17.169 1.00 25.00 C ATOM 726 C LEU A 47 7.033 -6.755 -18.172 1.00 25.00 C ATOM 727 O LEU A 47 7.227 -5.673 -18.752 1.00 25.00 O ATOM 728 CB LEU A 47 8.236 -6.217 -16.063 1.00 25.00 C ATOM 729 CG LEU A 47 7.039 -6.060 -15.102 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.798 -7.306 -14.257 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.352 -4.911 -14.187 1.00 25.00 C ATOM 0 H LEU A 47 9.947 -6.722 -17.860 1.00 25.00 H new ATOM 0 HA LEU A 47 7.720 -8.182 -16.687 1.00 25.00 H new ATOM 0 HB2 LEU A 47 9.118 -6.484 -15.481 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.440 -5.252 -16.526 1.00 25.00 H new ATOM 0 HG LEU A 47 6.138 -5.892 -15.692 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.945 -7.140 -13.599 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.593 -8.154 -14.910 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.683 -7.515 -13.657 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.527 -4.766 -13.489 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.264 -5.127 -13.631 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.492 -4.005 -14.776 1.00 25.00 H new ATOM 743 N CYS A 48 5.984 -7.504 -18.410 1.00 25.00 N ATOM 744 CA CYS A 48 4.958 -7.112 -19.360 1.00 25.00 C ATOM 745 C CYS A 48 3.657 -6.803 -18.637 1.00 25.00 C ATOM 746 O CYS A 48 3.493 -7.129 -17.456 1.00 25.00 O ATOM 747 CB CYS A 48 4.751 -8.209 -20.388 1.00 25.00 C ATOM 748 SG CYS A 48 6.270 -8.507 -21.343 1.00 25.00 S ATOM 0 H CYS A 48 5.813 -8.401 -17.955 1.00 25.00 H new ATOM 0 HA CYS A 48 5.285 -6.210 -19.877 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.446 -9.128 -19.887 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.942 -7.931 -21.063 1.00 25.00 H new ATOM 0 HG CYS A 48 5.959 -8.917 -22.537 1.00 25.00 H new ATOM 754 N SER A 49 2.719 -6.181 -19.333 1.00 25.00 N ATOM 755 CA SER A 49 1.379 -5.948 -18.791 1.00 25.00 C ATOM 756 C SER A 49 0.334 -6.281 -19.843 1.00 25.00 C ATOM 757 O SER A 49 0.421 -5.818 -20.990 1.00 25.00 O ATOM 758 CB SER A 49 1.253 -4.511 -18.322 1.00 25.00 C ATOM 759 OG SER A 49 -0.023 -4.251 -17.761 1.00 25.00 O ATOM 0 H SER A 49 2.856 -5.825 -20.279 1.00 25.00 H new ATOM 0 HA SER A 49 1.214 -6.598 -17.931 1.00 25.00 H new ATOM 0 HB2 SER A 49 2.025 -4.301 -17.582 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.425 -3.838 -19.162 1.00 25.00 H new ATOM 0 HG SER A 49 -0.067 -3.317 -17.468 1.00 25.00 H new ATOM 765 N LEU A 50 -0.595 -7.151 -19.460 1.00 25.00 N ATOM 766 CA LEU A 50 -1.620 -7.678 -20.356 1.00 25.00 C ATOM 767 C LEU A 50 -2.853 -8.048 -19.532 1.00 25.00 C ATOM 768 O LEU A 50 -2.740 -8.584 -18.433 1.00 25.00 O ATOM 769 CB LEU A 50 -1.078 -8.904 -21.111 1.00 25.00 C ATOM 770 CG LEU A 50 -2.060 -9.712 -21.984 1.00 25.00 C ATOM 771 CD1 LEU A 50 -1.488 -9.973 -23.357 1.00 25.00 C ATOM 772 CD2 LEU A 50 -2.444 -11.050 -21.335 1.00 25.00 C ATOM 0 H LEU A 50 -0.659 -7.514 -18.509 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.896 -6.924 -21.093 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.262 -8.568 -21.751 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.647 -9.584 -20.376 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.958 -9.102 -22.077 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.205 -10.544 -23.947 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -1.285 -9.024 -23.853 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -0.561 -10.539 -23.263 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -3.137 -11.584 -21.985 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -1.548 -11.653 -21.186 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -2.920 -10.864 -20.372 1.00 25.00 H new ATOM 784 N HIS A 51 -4.030 -7.733 -20.066 1.00 25.00 N ATOM 785 CA HIS A 51 -5.328 -8.084 -19.441 1.00 25.00 C ATOM 786 C HIS A 51 -5.459 -7.602 -17.964 1.00 25.00 C ATOM 787 O HIS A 51 -5.982 -8.287 -17.109 1.00 25.00 O ATOM 788 CB HIS A 51 -5.553 -9.603 -19.526 1.00 25.00 C ATOM 789 CG HIS A 51 -6.999 -10.014 -19.546 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.785 -10.084 -18.432 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.811 -10.408 -20.583 1.00 25.00 C ATOM 792 CE1 HIS A 51 -9.016 -10.469 -18.795 1.00 25.00 C ATOM 793 NE2 HIS A 51 -9.074 -10.704 -20.105 1.00 25.00 N ATOM 0 H HIS A 51 -4.124 -7.226 -20.946 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.099 -7.556 -20.003 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.068 -9.981 -20.426 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.064 -10.079 -18.676 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.484 -9.877 -17.479 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.507 -10.476 -21.617 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.850 -10.575 -18.116 1.00 25.00 H new ATOM 801 N GLY A 52 -4.939 -6.417 -17.698 1.00 25.00 N ATOM 802 CA GLY A 52 -5.074 -5.812 -16.381 1.00 25.00 C ATOM 803 C GLY A 52 -4.105 -6.304 -15.329 1.00 25.00 C ATOM 804 O GLY A 52 -4.151 -5.806 -14.220 1.00 25.00 O ATOM 0 H GLY A 52 -4.421 -5.854 -18.373 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.954 -4.734 -16.483 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.089 -5.987 -16.024 1.00 25.00 H new ATOM 808 N ARG A 53 -3.221 -7.240 -15.659 1.00 25.00 N ATOM 809 CA ARG A 53 -2.233 -7.734 -14.695 1.00 25.00 C ATOM 810 C ARG A 53 -0.883 -7.596 -15.302 1.00 25.00 C ATOM 811 O ARG A 53 -0.769 -7.388 -16.520 1.00 25.00 O ATOM 812 CB ARG A 53 -2.469 -9.193 -14.286 1.00 25.00 C ATOM 813 CG ARG A 53 -2.581 -10.194 -15.444 1.00 25.00 C ATOM 814 CD ARG A 53 -1.963 -11.536 -15.052 1.00 25.00 C ATOM 815 NE ARG A 53 -2.729 -12.247 -14.031 1.00 25.00 N ATOM 816 CZ ARG A 53 -2.255 -13.214 -13.267 1.00 25.00 C ATOM 817 NH1 ARG A 53 -1.024 -13.628 -13.340 1.00 25.00 N ATOM 818 NH2 ARG A 53 -3.054 -13.786 -12.408 1.00 25.00 N ATOM 0 H ARG A 53 -3.165 -7.673 -16.581 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.324 -7.140 -13.785 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.652 -9.506 -13.636 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.384 -9.243 -13.696 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.628 -10.333 -15.712 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -2.076 -9.798 -16.325 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -1.882 -12.164 -15.939 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -0.950 -11.369 -14.686 1.00 25.00 H new ATOM 0 HE ARG A 53 -3.703 -11.976 -13.898 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -0.381 -13.202 -14.008 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -0.701 -14.379 -12.729 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -4.026 -13.484 -12.336 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -2.707 -14.535 -11.809 1.00 25.00 H new ATOM 832 N GLN A 54 0.149 -7.692 -14.469 1.00 25.00 N ATOM 833 CA GLN A 54 1.517 -7.651 -14.921 1.00 25.00 C ATOM 834 C GLN A 54 2.109 -9.012 -14.665 1.00 25.00 C ATOM 835 O GLN A 54 1.559 -9.805 -13.895 1.00 25.00 O ATOM 836 CB GLN A 54 2.320 -6.589 -14.152 1.00 25.00 C ATOM 837 CG GLN A 54 1.811 -5.157 -14.332 1.00 25.00 C ATOM 838 CD GLN A 54 0.980 -4.672 -13.162 1.00 25.00 C ATOM 839 OE1 GLN A 54 0.093 -5.354 -12.692 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.240 -3.485 -12.704 1.00 25.00 N ATOM 0 H GLN A 54 0.049 -7.801 -13.460 1.00 25.00 H new ATOM 0 HA GLN A 54 1.553 -7.391 -15.979 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.303 -6.837 -13.091 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.360 -6.635 -14.474 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.662 -4.489 -14.468 1.00 25.00 H new ATOM 0 HG3 GLN A 54 1.214 -5.101 -15.242 1.00 25.00 H new ATOM 0 HE21 GLN A 54 1.991 -2.932 -13.117 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.693 -3.105 -11.931 1.00 25.00 H new ATOM 849 N GLY A 55 3.237 -9.301 -15.285 1.00 25.00 N ATOM 850 CA GLY A 55 3.937 -10.536 -15.010 1.00 25.00 C ATOM 851 C GLY A 55 5.242 -10.592 -15.768 1.00 25.00 C ATOM 852 O GLY A 55 5.432 -9.849 -16.729 1.00 25.00 O ATOM 0 H GLY A 55 3.684 -8.700 -15.978 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.129 -10.620 -13.940 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.312 -11.384 -15.290 1.00 25.00 H new ATOM 856 N ILE A 56 6.129 -11.476 -15.343 1.00 25.00 N ATOM 857 CA ILE A 56 7.378 -11.675 -16.059 1.00 25.00 C ATOM 858 C ILE A 56 7.110 -12.565 -17.284 1.00 25.00 C ATOM 859 O ILE A 56 6.267 -13.485 -17.254 1.00 25.00 O ATOM 860 CB ILE A 56 8.489 -12.289 -15.129 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.164 -13.745 -14.699 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.665 -11.397 -13.877 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.250 -14.397 -13.835 1.00 25.00 C ATOM 0 H ILE A 56 6.010 -12.061 -14.516 1.00 25.00 H new ATOM 0 HA ILE A 56 7.758 -10.709 -16.392 1.00 25.00 H new ATOM 0 HB ILE A 56 9.416 -12.322 -15.702 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.224 -13.749 -14.147 1.00 25.00 H new ATOM 0 HG13 ILE A 56 8.012 -14.351 -15.592 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.435 -11.822 -13.233 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.962 -10.394 -14.184 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.723 -11.346 -13.332 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.948 -15.412 -13.576 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.187 -14.427 -14.390 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.387 -13.816 -12.923 1.00 25.00 H new ATOM 875 N VAL A 57 7.777 -12.264 -18.372 1.00 25.00 N ATOM 876 CA VAL A 57 7.574 -12.942 -19.658 1.00 25.00 C ATOM 877 C VAL A 57 8.931 -13.169 -20.338 1.00 25.00 C ATOM 878 O VAL A 57 9.735 -12.247 -20.390 1.00 25.00 O ATOM 879 CB VAL A 57 6.671 -12.084 -20.603 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.534 -12.689 -22.008 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.292 -11.930 -20.002 1.00 25.00 C ATOM 0 H VAL A 57 8.488 -11.534 -18.404 1.00 25.00 H new ATOM 0 HA VAL A 57 7.082 -13.896 -19.468 1.00 25.00 H new ATOM 0 HB VAL A 57 7.159 -11.115 -20.703 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.896 -12.050 -22.619 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.519 -12.765 -22.469 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.090 -13.682 -21.935 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.670 -11.331 -20.667 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.840 -12.913 -19.871 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.370 -11.435 -19.034 1.00 25.00 H new ATOM 891 N PRO A 58 9.187 -14.381 -20.862 1.00 25.00 N ATOM 892 CA PRO A 58 10.456 -14.527 -21.582 1.00 25.00 C ATOM 893 C PRO A 58 10.496 -13.676 -22.871 1.00 25.00 C ATOM 894 O PRO A 58 9.770 -13.910 -23.826 1.00 25.00 O ATOM 895 CB PRO A 58 10.525 -16.032 -21.887 1.00 25.00 C ATOM 896 CG PRO A 58 9.112 -16.457 -21.921 1.00 25.00 C ATOM 897 CD PRO A 58 8.407 -15.644 -20.882 1.00 25.00 C ATOM 0 HA PRO A 58 11.308 -14.174 -21.001 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.022 -16.224 -22.838 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.085 -16.569 -21.121 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.679 -16.289 -22.907 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.021 -17.522 -21.710 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.364 -15.470 -21.145 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.413 -16.138 -19.910 1.00 25.00 H new ATOM 905 N GLY A 59 11.382 -12.698 -22.890 1.00 25.00 N ATOM 906 CA GLY A 59 11.393 -11.758 -24.006 1.00 25.00 C ATOM 907 C GLY A 59 11.855 -12.333 -25.325 1.00 25.00 C ATOM 908 O GLY A 59 11.542 -11.776 -26.353 1.00 25.00 O ATOM 0 H GLY A 59 12.086 -12.532 -22.171 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.387 -11.359 -24.134 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.039 -10.919 -23.747 1.00 25.00 H new ATOM 912 N ASN A 60 12.516 -13.490 -25.318 1.00 25.00 N ATOM 913 CA ASN A 60 12.943 -14.130 -26.582 1.00 25.00 C ATOM 914 C ASN A 60 11.747 -14.691 -27.368 1.00 25.00 C ATOM 915 O ASN A 60 11.842 -15.040 -28.547 1.00 25.00 O ATOM 916 CB ASN A 60 13.907 -15.283 -26.291 1.00 25.00 C ATOM 917 CG ASN A 60 15.335 -14.804 -25.970 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.917 -13.996 -26.700 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.902 -15.312 -24.891 1.00 25.00 N ATOM 0 H ASN A 60 12.768 -14.003 -24.473 1.00 25.00 H new ATOM 0 HA ASN A 60 13.433 -13.361 -27.180 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.527 -15.864 -25.451 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.938 -15.950 -27.152 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.851 -15.039 -24.637 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.390 -15.977 -24.311 1.00 25.00 H new ATOM 926 N ARG A 61 10.623 -14.820 -26.683 1.00 25.00 N ATOM 927 CA ARG A 61 9.406 -15.343 -27.273 1.00 25.00 C ATOM 928 C ARG A 61 8.534 -14.200 -27.762 1.00 25.00 C ATOM 929 O ARG A 61 7.368 -14.409 -28.159 1.00 25.00 O ATOM 930 CB ARG A 61 8.660 -16.221 -26.257 1.00 25.00 C ATOM 931 CG ARG A 61 9.475 -17.425 -25.795 1.00 25.00 C ATOM 932 CD ARG A 61 8.554 -18.487 -25.225 1.00 25.00 C ATOM 933 NE ARG A 61 9.311 -19.682 -24.834 1.00 25.00 N ATOM 934 CZ ARG A 61 8.764 -20.883 -24.590 1.00 25.00 C ATOM 935 NH1 ARG A 61 7.466 -21.094 -24.676 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.524 -21.876 -24.269 1.00 25.00 N ATOM 0 H ARG A 61 10.530 -14.564 -25.700 1.00 25.00 H new ATOM 0 HA ARG A 61 9.660 -15.966 -28.131 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.393 -15.616 -25.390 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.728 -16.570 -26.702 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.041 -17.834 -26.632 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.199 -17.117 -25.041 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.024 -18.088 -24.360 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.800 -18.755 -25.965 1.00 25.00 H new ATOM 0 HE ARG A 61 10.323 -19.594 -24.741 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.841 -20.331 -24.935 1.00 25.00 H new ATOM 0 HH12 ARG A 61 7.086 -22.021 -24.483 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.533 -21.745 -24.202 1.00 25.00 H new ATOM 0 HH22 ARG A 61 9.115 -22.792 -24.082 1.00 25.00 H new ATOM 950 N LEU A 62 9.092 -12.997 -27.731 1.00 25.00 N ATOM 951 CA LEU A 62 8.383 -11.771 -28.104 1.00 25.00 C ATOM 952 C LEU A 62 9.089 -11.099 -29.262 1.00 25.00 C ATOM 953 O LEU A 62 10.304 -11.231 -29.458 1.00 25.00 O ATOM 954 CB LEU A 62 8.276 -10.788 -26.911 1.00 25.00 C ATOM 955 CG LEU A 62 7.591 -11.294 -25.627 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.632 -10.197 -24.571 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.136 -11.720 -25.902 1.00 25.00 C ATOM 0 H LEU A 62 10.058 -12.839 -27.444 1.00 25.00 H new ATOM 0 HA LEU A 62 7.372 -12.048 -28.402 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.284 -10.467 -26.649 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.738 -9.903 -27.252 1.00 25.00 H new ATOM 0 HG LEU A 62 8.128 -12.171 -25.265 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.148 -10.550 -23.660 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.669 -9.939 -24.355 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.108 -9.316 -24.941 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.679 -12.072 -24.977 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.573 -10.868 -26.283 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.125 -12.522 -26.640 1.00 25.00 H new ATOM 969 N LYS A 63 8.337 -10.285 -29.990 1.00 25.00 N ATOM 970 CA LYS A 63 8.877 -9.455 -31.078 1.00 25.00 C ATOM 971 C LYS A 63 8.419 -8.018 -30.871 1.00 25.00 C ATOM 972 O LYS A 63 7.218 -7.764 -30.802 1.00 25.00 O ATOM 973 CB LYS A 63 8.370 -9.970 -32.424 1.00 25.00 C ATOM 974 CG LYS A 63 9.052 -9.328 -33.662 1.00 25.00 C ATOM 975 CD LYS A 63 10.454 -9.960 -33.911 1.00 25.00 C ATOM 976 CE LYS A 63 10.371 -11.374 -34.516 1.00 25.00 C ATOM 977 NZ LYS A 63 9.740 -11.331 -35.881 1.00 25.00 N ATOM 0 H LYS A 63 7.333 -10.176 -29.849 1.00 25.00 H new ATOM 0 HA LYS A 63 9.966 -9.501 -31.072 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.517 -11.049 -32.464 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.296 -9.792 -32.485 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.424 -9.467 -34.542 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.154 -8.253 -33.510 1.00 25.00 H new ATOM 0 HD2 LYS A 63 11.024 -9.316 -34.580 1.00 25.00 H new ATOM 0 HD3 LYS A 63 11.000 -10.004 -32.969 1.00 25.00 H new ATOM 0 HE2 LYS A 63 11.370 -11.805 -34.585 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.789 -12.022 -33.861 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 9.947 -12.216 -36.387 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 8.710 -11.221 -35.784 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 10.126 -10.527 -36.417 1.00 25.00 H new ATOM 991 N ILE A 64 9.363 -7.093 -30.767 1.00 25.00 N ATOM 992 CA ILE A 64 9.068 -5.668 -30.562 1.00 25.00 C ATOM 993 C ILE A 64 8.291 -5.168 -31.796 1.00 25.00 C ATOM 994 O ILE A 64 8.616 -5.523 -32.933 1.00 25.00 O ATOM 995 CB ILE A 64 10.401 -4.866 -30.314 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.989 -5.229 -28.935 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.186 -3.316 -30.440 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.200 -4.712 -27.705 1.00 25.00 C ATOM 0 H ILE A 64 10.360 -7.303 -30.822 1.00 25.00 H new ATOM 0 HA ILE A 64 8.453 -5.514 -29.675 1.00 25.00 H new ATOM 0 HB ILE A 64 11.112 -5.153 -31.089 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.060 -6.314 -28.866 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.005 -4.839 -28.881 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.130 -2.802 -30.261 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.827 -3.079 -31.442 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.451 -2.990 -29.705 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.704 -5.026 -26.791 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.150 -3.624 -27.736 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.190 -5.122 -27.722 1.00 25.00 H new ATOM 1010 N LEU A 65 7.222 -4.424 -31.535 1.00 25.00 N ATOM 1011 CA LEU A 65 6.393 -3.878 -32.608 1.00 25.00 C ATOM 1012 C LEU A 65 7.010 -2.597 -33.144 1.00 25.00 C ATOM 1013 O LEU A 65 8.010 -2.089 -32.624 1.00 25.00 O ATOM 1014 CB LEU A 65 4.994 -3.599 -32.031 1.00 25.00 C ATOM 1015 CG LEU A 65 3.764 -4.353 -32.609 1.00 25.00 C ATOM 1016 CD1 LEU A 65 3.484 -3.954 -34.068 1.00 25.00 C ATOM 1017 CD2 LEU A 65 3.897 -5.868 -32.488 1.00 25.00 C ATOM 0 H LEU A 65 6.908 -4.185 -30.594 1.00 25.00 H new ATOM 0 HA LEU A 65 6.323 -4.588 -33.433 1.00 25.00 H new ATOM 0 HB2 LEU A 65 5.034 -3.809 -30.962 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.803 -2.531 -32.139 1.00 25.00 H new ATOM 0 HG LEU A 65 2.912 -4.049 -32.001 1.00 25.00 H new ATOM 0 HD11 LEU A 65 2.617 -4.503 -34.435 1.00 25.00 H new ATOM 0 HD12 LEU A 65 3.285 -2.884 -34.121 1.00 25.00 H new ATOM 0 HD13 LEU A 65 4.352 -4.192 -34.683 1.00 25.00 H new ATOM 0 HD21 LEU A 65 3.011 -6.346 -32.907 1.00 25.00 H new ATOM 0 HD22 LEU A 65 4.780 -6.200 -33.033 1.00 25.00 H new ATOM 0 HD23 LEU A 65 3.995 -6.142 -31.438 1.00 25.00 H new ATOM 1029 N VAL A 66 6.365 -2.044 -34.163 1.00 25.00 N ATOM 1030 CA VAL A 66 6.745 -0.762 -34.710 1.00 25.00 C ATOM 1031 C VAL A 66 6.725 0.267 -33.570 1.00 25.00 C ATOM 1032 O VAL A 66 5.793 0.289 -32.791 1.00 25.00 O ATOM 1033 CB VAL A 66 5.723 -0.325 -35.851 1.00 25.00 C ATOM 1034 CG1 VAL A 66 6.071 1.072 -36.419 1.00 25.00 C ATOM 1035 CG2 VAL A 66 5.683 -1.363 -36.975 1.00 25.00 C ATOM 0 H VAL A 66 5.566 -2.476 -34.628 1.00 25.00 H new ATOM 0 HA VAL A 66 7.741 -0.824 -35.149 1.00 25.00 H new ATOM 0 HB VAL A 66 4.734 -0.266 -35.398 1.00 25.00 H new ATOM 0 HG11 VAL A 66 5.353 1.338 -37.195 1.00 25.00 H new ATOM 0 HG12 VAL A 66 6.031 1.811 -35.618 1.00 25.00 H new ATOM 0 HG13 VAL A 66 7.075 1.052 -36.844 1.00 25.00 H new ATOM 0 HG21 VAL A 66 4.978 -1.042 -37.742 1.00 25.00 H new ATOM 0 HG22 VAL A 66 6.676 -1.463 -37.414 1.00 25.00 H new ATOM 0 HG23 VAL A 66 5.367 -2.325 -36.571 1.00 25.00 H new ATOM 1045 N GLY A 67 7.763 1.094 -33.501 1.00 25.00 N ATOM 1046 CA GLY A 67 7.879 2.070 -32.438 1.00 25.00 C ATOM 1047 C GLY A 67 9.185 2.839 -32.509 1.00 25.00 C ATOM 1048 O GLY A 67 9.200 4.039 -32.306 1.00 25.00 O ATOM 0 H GLY A 67 8.532 1.103 -34.171 1.00 25.00 H new ATOM 0 HA2 GLY A 67 7.044 2.768 -32.495 1.00 25.00 H new ATOM 0 HA3 GLY A 67 7.808 1.566 -31.474 1.00 25.00 H new ATOM 1052 N MET A 68 10.266 2.153 -32.853 1.00 25.00 N ATOM 1053 CA MET A 68 11.575 2.802 -33.034 1.00 25.00 C ATOM 1054 C MET A 68 11.894 2.806 -34.535 1.00 25.00 C ATOM 1055 O MET A 68 11.368 1.973 -35.264 1.00 25.00 O ATOM 1056 CB MET A 68 12.671 2.036 -32.301 1.00 25.00 C ATOM 1057 CG MET A 68 12.482 2.029 -30.798 1.00 25.00 C ATOM 1058 SD MET A 68 11.786 0.447 -30.228 1.00 25.00 S ATOM 1059 CE MET A 68 12.068 0.496 -28.477 1.00 25.00 C ATOM 0 H MET A 68 10.271 1.146 -33.014 1.00 25.00 H new ATOM 0 HA MET A 68 11.535 3.814 -32.631 1.00 25.00 H new ATOM 0 HB2 MET A 68 12.694 1.008 -32.664 1.00 25.00 H new ATOM 0 HB3 MET A 68 13.638 2.479 -32.538 1.00 25.00 H new ATOM 0 HG2 MET A 68 13.439 2.205 -30.308 1.00 25.00 H new ATOM 0 HG3 MET A 68 11.820 2.845 -30.508 1.00 25.00 H new ATOM 0 HE1 MET A 68 11.685 -0.417 -28.021 1.00 25.00 H new ATOM 0 HE2 MET A 68 13.137 0.578 -28.283 1.00 25.00 H new ATOM 0 HE3 MET A 68 11.555 1.358 -28.050 1.00 25.00 H new ATOM 1069 N TYR A 69 12.764 3.717 -34.968 1.00 25.00 N ATOM 1070 CA TYR A 69 13.196 3.817 -36.376 1.00 25.00 C ATOM 1071 C TYR A 69 14.512 3.059 -36.511 1.00 25.00 C ATOM 1072 O TYR A 69 15.315 3.301 -37.408 1.00 25.00 O ATOM 1073 CB TYR A 69 13.365 5.292 -36.774 1.00 25.00 C ATOM 1074 CG TYR A 69 12.071 6.038 -36.823 1.00 25.00 C ATOM 1075 CD1 TYR A 69 11.115 5.688 -37.804 1.00 25.00 C ATOM 1076 CD2 TYR A 69 11.769 7.079 -35.915 1.00 25.00 C ATOM 1077 CE1 TYR A 69 9.880 6.327 -37.868 1.00 25.00 C ATOM 1078 CE2 TYR A 69 10.551 7.737 -35.976 1.00 25.00 C ATOM 1079 CZ TYR A 69 9.593 7.338 -36.938 1.00 25.00 C ATOM 1080 OH TYR A 69 8.372 7.969 -36.995 1.00 25.00 O ATOM 0 H TYR A 69 13.194 4.411 -34.357 1.00 25.00 H new ATOM 0 HA TYR A 69 12.449 3.384 -37.041 1.00 25.00 H new ATOM 0 HB2 TYR A 69 14.032 5.780 -36.063 1.00 25.00 H new ATOM 0 HB3 TYR A 69 13.846 5.346 -37.751 1.00 25.00 H new ATOM 0 HD1 TYR A 69 11.347 4.911 -38.517 1.00 25.00 H new ATOM 0 HD2 TYR A 69 12.494 7.364 -35.167 1.00 25.00 H new ATOM 0 HE1 TYR A 69 9.156 6.050 -38.620 1.00 25.00 H new ATOM 0 HE2 TYR A 69 10.335 8.547 -35.295 1.00 25.00 H new ATOM 0 HH TYR A 69 8.319 8.644 -36.287 1.00 25.00 H new ATOM 1090 N ASP A 70 14.715 2.171 -35.561 1.00 25.00 N ATOM 1091 CA ASP A 70 15.944 1.371 -35.411 1.00 25.00 C ATOM 1092 C ASP A 70 17.153 2.235 -34.991 1.00 25.00 C ATOM 1093 O ASP A 70 16.989 3.375 -34.537 1.00 25.00 O ATOM 1094 CB ASP A 70 16.246 0.517 -36.669 1.00 25.00 C ATOM 1095 CG ASP A 70 16.536 -0.926 -36.334 1.00 25.00 C ATOM 1096 OD1 ASP A 70 16.094 -1.407 -35.272 1.00 25.00 O ATOM 1097 OD2 ASP A 70 17.317 -1.539 -37.075 1.00 25.00 O ATOM 0 H ASP A 70 14.018 1.969 -34.844 1.00 25.00 H new ATOM 0 HA ASP A 70 15.761 0.671 -34.596 1.00 25.00 H new ATOM 0 HB2 ASP A 70 15.395 0.565 -37.349 1.00 25.00 H new ATOM 0 HB3 ASP A 70 17.100 0.943 -37.196 1.00 25.00 H new ATOM 1102 N LYS A 71 18.364 1.692 -35.060 1.00 25.00 N ATOM 1103 CA LYS A 71 19.579 2.399 -34.606 1.00 25.00 C ATOM 1104 C LYS A 71 20.516 2.627 -35.774 1.00 25.00 C ATOM 1105 O LYS A 71 20.432 1.977 -36.800 1.00 25.00 O ATOM 1106 CB LYS A 71 20.262 1.592 -33.486 1.00 25.00 C ATOM 1107 CG LYS A 71 19.443 1.521 -32.174 1.00 25.00 C ATOM 1108 CD LYS A 71 20.173 0.844 -30.996 1.00 25.00 C ATOM 1109 CE LYS A 71 20.399 -0.674 -31.210 1.00 25.00 C ATOM 1110 NZ LYS A 71 20.709 -1.385 -29.902 1.00 25.00 N ATOM 0 H LYS A 71 18.541 0.757 -35.428 1.00 25.00 H new ATOM 0 HA LYS A 71 19.305 3.374 -34.204 1.00 25.00 H new ATOM 0 HB2 LYS A 71 20.447 0.579 -33.843 1.00 25.00 H new ATOM 0 HB3 LYS A 71 21.234 2.037 -33.272 1.00 25.00 H new ATOM 0 HG2 LYS A 71 19.166 2.533 -31.879 1.00 25.00 H new ATOM 0 HG3 LYS A 71 18.516 0.981 -32.369 1.00 25.00 H new ATOM 0 HD2 LYS A 71 21.137 1.331 -30.846 1.00 25.00 H new ATOM 0 HD3 LYS A 71 19.595 0.994 -30.084 1.00 25.00 H new ATOM 0 HE2 LYS A 71 19.510 -1.114 -31.662 1.00 25.00 H new ATOM 0 HE3 LYS A 71 21.221 -0.825 -31.910 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 20.854 -2.399 -30.084 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 21.571 -0.981 -29.483 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 19.914 -1.262 -29.243 1.00 25.00 H new ATOM 1124 N LYS A 72 21.461 3.549 -35.591 1.00 25.00 N ATOM 1125 CA LYS A 72 22.471 3.823 -36.615 1.00 25.00 C ATOM 1126 C LYS A 72 23.264 2.535 -36.852 1.00 25.00 C ATOM 1127 O LYS A 72 23.504 1.757 -35.906 1.00 25.00 O ATOM 1128 CB LYS A 72 23.383 4.945 -36.128 1.00 25.00 C ATOM 1129 CG LYS A 72 22.679 6.323 -36.063 1.00 25.00 C ATOM 1130 CD LYS A 72 23.411 7.288 -35.121 1.00 25.00 C ATOM 1131 CE LYS A 72 24.844 7.624 -35.596 1.00 25.00 C ATOM 1132 NZ LYS A 72 24.821 8.463 -36.865 1.00 25.00 N ATOM 0 H LYS A 72 21.549 4.117 -34.748 1.00 25.00 H new ATOM 0 HA LYS A 72 22.010 4.140 -37.550 1.00 25.00 H new ATOM 0 HB2 LYS A 72 23.762 4.692 -35.138 1.00 25.00 H new ATOM 0 HB3 LYS A 72 24.245 5.016 -36.791 1.00 25.00 H new ATOM 0 HG2 LYS A 72 22.632 6.755 -37.062 1.00 25.00 H new ATOM 0 HG3 LYS A 72 21.652 6.192 -35.723 1.00 25.00 H new ATOM 0 HD2 LYS A 72 22.836 8.210 -35.036 1.00 25.00 H new ATOM 0 HD3 LYS A 72 23.458 6.849 -34.124 1.00 25.00 H new ATOM 0 HE2 LYS A 72 25.373 8.163 -34.810 1.00 25.00 H new ATOM 0 HE3 LYS A 72 25.396 6.701 -35.777 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 25.795 8.702 -37.141 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 24.367 7.924 -37.629 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 24.286 9.338 -36.693 1.00 25.00 H new ATOM 1146 N PRO A 73 23.711 2.303 -38.098 1.00 25.00 N ATOM 1147 CA PRO A 73 24.511 1.097 -38.393 1.00 25.00 C ATOM 1148 C PRO A 73 25.972 1.198 -37.911 1.00 25.00 C ATOM 1149 O PRO A 73 26.435 2.248 -37.521 1.00 25.00 O ATOM 1150 CB PRO A 73 24.473 1.033 -39.921 1.00 25.00 C ATOM 1151 CG PRO A 73 24.422 2.462 -40.329 1.00 25.00 C ATOM 1152 CD PRO A 73 23.520 3.126 -39.324 1.00 25.00 C ATOM 0 HA PRO A 73 24.113 0.219 -37.885 1.00 25.00 H new ATOM 0 HB2 PRO A 73 25.354 0.532 -40.323 1.00 25.00 H new ATOM 0 HB3 PRO A 73 23.602 0.483 -40.278 1.00 25.00 H new ATOM 0 HG2 PRO A 73 25.416 2.909 -40.322 1.00 25.00 H new ATOM 0 HG3 PRO A 73 24.031 2.569 -41.341 1.00 25.00 H new ATOM 0 HD2 PRO A 73 23.799 4.166 -39.158 1.00 25.00 H new ATOM 0 HD3 PRO A 73 22.481 3.124 -39.653 1.00 25.00 H new ATOM 1160 N ALA A 74 26.682 0.085 -37.993 1.00 25.00 N ATOM 1161 CA ALA A 74 28.092 0.029 -37.577 1.00 25.00 C ATOM 1162 C ALA A 74 29.013 -0.392 -38.754 1.00 25.00 C ATOM 1163 O ALA A 74 30.069 0.189 -38.961 1.00 25.00 O ATOM 1164 CB ALA A 74 28.233 -0.973 -36.407 1.00 25.00 C ATOM 0 H ALA A 74 26.313 -0.799 -38.343 1.00 25.00 H new ATOM 0 HA ALA A 74 28.402 1.024 -37.256 1.00 25.00 H new ATOM 0 HB1 ALA A 74 29.276 -1.021 -36.092 1.00 25.00 H new ATOM 0 HB2 ALA A 74 27.616 -0.645 -35.570 1.00 25.00 H new ATOM 0 HB3 ALA A 74 27.907 -1.961 -36.733 1.00 25.00 H new ATOM 1170 N GLY A 75 28.571 -1.389 -39.519 1.00 25.00 N ATOM 1171 CA GLY A 75 29.370 -1.912 -40.612 1.00 25.00 C ATOM 1172 C GLY A 75 30.282 -3.059 -40.189 1.00 25.00 C ATOM 1173 O GLY A 75 30.659 -3.160 -39.019 1.00 25.00 O ATOM 0 H GLY A 75 27.667 -1.845 -39.398 1.00 25.00 H new ATOM 0 HA2 GLY A 75 28.708 -2.256 -41.406 1.00 25.00 H new ATOM 0 HA3 GLY A 75 29.976 -1.108 -41.028 1.00 25.00 H new ATOM 1177 N GLU A 76 30.615 -3.941 -41.127 1.00 25.00 N ATOM 1178 CA GLU A 76 31.450 -5.109 -40.861 1.00 25.00 C ATOM 1179 C GLU A 76 32.241 -5.428 -42.149 1.00 25.00 C ATOM 1180 O GLU A 76 31.790 -6.197 -42.975 1.00 25.00 O ATOM 1181 CB GLU A 76 30.563 -6.288 -40.427 1.00 25.00 C ATOM 1182 CG GLU A 76 31.337 -7.518 -39.980 1.00 25.00 C ATOM 1183 CD GLU A 76 30.403 -8.619 -39.427 1.00 25.00 C ATOM 1184 OE1 GLU A 76 29.845 -8.421 -38.320 1.00 25.00 O ATOM 1185 OE2 GLU A 76 30.176 -9.613 -40.121 1.00 25.00 O ATOM 0 H GLU A 76 30.312 -3.865 -42.098 1.00 25.00 H new ATOM 0 HA GLU A 76 32.153 -4.918 -40.050 1.00 25.00 H new ATOM 0 HB2 GLU A 76 29.918 -5.962 -39.611 1.00 25.00 H new ATOM 0 HB3 GLU A 76 29.912 -6.564 -41.257 1.00 25.00 H new ATOM 0 HG2 GLU A 76 31.906 -7.914 -40.821 1.00 25.00 H new ATOM 0 HG3 GLU A 76 32.057 -7.234 -39.213 1.00 25.00 H new ATOM 1192 N PHE A 77 33.379 -4.769 -42.346 1.00 25.00 N ATOM 1193 CA PHE A 77 34.192 -4.929 -43.543 1.00 25.00 C ATOM 1194 C PHE A 77 35.586 -4.403 -43.247 1.00 25.00 C ATOM 1195 O PHE A 77 35.760 -3.586 -42.363 1.00 25.00 O ATOM 1196 CB PHE A 77 33.596 -4.120 -44.703 1.00 25.00 C ATOM 1197 CG PHE A 77 33.284 -4.937 -45.922 1.00 25.00 C ATOM 1198 CD1 PHE A 77 34.249 -5.092 -46.928 1.00 25.00 C ATOM 1199 CD2 PHE A 77 32.030 -5.566 -46.073 1.00 25.00 C ATOM 1200 CE1 PHE A 77 33.958 -5.824 -48.103 1.00 25.00 C ATOM 1201 CE2 PHE A 77 31.733 -6.318 -47.253 1.00 25.00 C ATOM 1202 CZ PHE A 77 32.693 -6.425 -48.261 1.00 25.00 C ATOM 0 H PHE A 77 33.764 -4.105 -41.674 1.00 25.00 H new ATOM 0 HA PHE A 77 34.223 -5.982 -43.823 1.00 25.00 H new ATOM 0 HB2 PHE A 77 32.682 -3.634 -44.361 1.00 25.00 H new ATOM 0 HB3 PHE A 77 34.295 -3.330 -44.977 1.00 25.00 H new ATOM 0 HD1 PHE A 77 35.225 -4.647 -46.804 1.00 25.00 H new ATOM 0 HD2 PHE A 77 31.289 -5.479 -45.292 1.00 25.00 H new ATOM 0 HE1 PHE A 77 34.704 -5.922 -48.878 1.00 25.00 H new ATOM 0 HE2 PHE A 77 30.773 -6.800 -47.363 1.00 25.00 H new ATOM 0 HZ PHE A 77 32.465 -6.970 -49.165 1.00 25.00 H new ATOM 1212 N ILE A 78 36.568 -4.805 -44.053 1.00 25.00 N ATOM 1213 CA ILE A 78 37.921 -4.281 -43.931 1.00 25.00 C ATOM 1214 C ILE A 78 38.431 -3.976 -45.329 1.00 25.00 C ATOM 1215 O ILE A 78 37.915 -4.493 -46.320 1.00 25.00 O ATOM 1216 CB ILE A 78 38.910 -5.251 -43.206 1.00 25.00 C ATOM 1217 CG1 ILE A 78 38.883 -6.644 -43.844 1.00 25.00 C ATOM 1218 CG2 ILE A 78 38.532 -5.355 -41.701 1.00 25.00 C ATOM 1219 CD1 ILE A 78 39.973 -7.568 -43.272 1.00 25.00 C ATOM 0 H ILE A 78 36.448 -5.493 -44.797 1.00 25.00 H new ATOM 0 HA ILE A 78 37.876 -3.386 -43.310 1.00 25.00 H new ATOM 0 HB ILE A 78 39.919 -4.850 -43.305 1.00 25.00 H new ATOM 0 HG12 ILE A 78 37.905 -7.096 -43.683 1.00 25.00 H new ATOM 0 HG13 ILE A 78 39.017 -6.551 -44.922 1.00 25.00 H new ATOM 0 HG21 ILE A 78 39.223 -6.032 -41.198 1.00 25.00 H new ATOM 0 HG22 ILE A 78 38.592 -4.368 -41.242 1.00 25.00 H new ATOM 0 HG23 ILE A 78 37.516 -5.738 -41.607 1.00 25.00 H new ATOM 0 HD11 ILE A 78 39.914 -8.543 -43.755 1.00 25.00 H new ATOM 0 HD12 ILE A 78 40.954 -7.131 -43.457 1.00 25.00 H new ATOM 0 HD13 ILE A 78 39.824 -7.685 -42.199 1.00 25.00 H new ATOM 1231 N VAL A 79 39.405 -3.091 -45.392 1.00 25.00 N ATOM 1232 CA VAL A 79 39.968 -2.627 -46.633 1.00 25.00 C ATOM 1233 C VAL A 79 41.384 -2.179 -46.288 1.00 25.00 C ATOM 1234 O VAL A 79 41.613 -1.725 -45.183 1.00 25.00 O ATOM 1235 CB VAL A 79 39.092 -1.456 -47.259 1.00 25.00 C ATOM 1236 CG1 VAL A 79 39.048 -0.218 -46.355 1.00 25.00 C ATOM 1237 CG2 VAL A 79 39.584 -1.068 -48.645 1.00 25.00 C ATOM 0 H VAL A 79 39.831 -2.670 -44.566 1.00 25.00 H new ATOM 0 HA VAL A 79 39.982 -3.405 -47.397 1.00 25.00 H new ATOM 0 HB VAL A 79 38.078 -1.847 -47.345 1.00 25.00 H new ATOM 0 HG11 VAL A 79 38.438 0.554 -46.825 1.00 25.00 H new ATOM 0 HG12 VAL A 79 38.615 -0.486 -45.391 1.00 25.00 H new ATOM 0 HG13 VAL A 79 40.060 0.159 -46.205 1.00 25.00 H new ATOM 0 HG21 VAL A 79 38.961 -0.265 -49.041 1.00 25.00 H new ATOM 0 HG22 VAL A 79 40.618 -0.728 -48.582 1.00 25.00 H new ATOM 0 HG23 VAL A 79 39.526 -1.932 -49.307 1.00 25.00 H new ATOM 1247 N THR A 80 42.319 -2.370 -47.212 1.00 25.00 N ATOM 1248 CA THR A 80 43.733 -2.008 -47.014 1.00 25.00 C ATOM 1249 C THR A 80 44.278 -2.500 -45.664 1.00 25.00 C ATOM 1250 O THR A 80 44.907 -1.755 -44.920 1.00 25.00 O ATOM 1251 CB THR A 80 43.911 -0.477 -47.129 1.00 25.00 C ATOM 1252 OG1 THR A 80 42.990 0.033 -48.103 1.00 25.00 O ATOM 1253 CG2 THR A 80 45.335 -0.133 -47.579 1.00 25.00 C ATOM 0 H THR A 80 42.125 -2.781 -48.125 1.00 25.00 H new ATOM 0 HA THR A 80 44.306 -2.505 -47.797 1.00 25.00 H new ATOM 0 HB THR A 80 43.724 -0.031 -46.152 1.00 25.00 H new ATOM 0 HG1 THR A 80 43.098 1.004 -48.178 1.00 25.00 H new ATOM 0 HG21 THR A 80 45.441 0.949 -47.654 1.00 25.00 H new ATOM 0 HG22 THR A 80 46.050 -0.518 -46.851 1.00 25.00 H new ATOM 0 HG23 THR A 80 45.528 -0.585 -48.552 1.00 25.00 H new ATOM 1261 N ASP A 81 44.013 -3.773 -45.350 1.00 25.00 N ATOM 1262 CA ASP A 81 44.371 -4.420 -44.075 1.00 25.00 C ATOM 1263 C ASP A 81 43.584 -3.862 -42.873 1.00 25.00 C ATOM 1264 O ASP A 81 42.672 -4.473 -42.382 1.00 25.00 O ATOM 1265 CB ASP A 81 45.903 -4.462 -43.801 1.00 25.00 C ATOM 1266 CG ASP A 81 46.258 -5.413 -42.688 1.00 25.00 C ATOM 1267 OD1 ASP A 81 47.073 -5.078 -41.857 1.00 25.00 O ATOM 1268 OD2 ASP A 81 45.807 -6.529 -42.751 1.00 25.00 O ATOM 1269 OXT ASP A 81 43.870 -2.629 -42.557 1.00 25.00 O ATOM 0 H ASP A 81 43.530 -4.402 -45.991 1.00 25.00 H new ATOM 0 HA ASP A 81 44.062 -5.458 -44.197 1.00 25.00 H new ATOM 0 HB2 ASP A 81 46.425 -4.760 -44.711 1.00 25.00 H new ATOM 0 HB3 ASP A 81 46.252 -3.461 -43.546 1.00 25.00 H new TER 1275 ASP A 81