USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 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+ -126:sc= 0.0237 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00176 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) 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=-0.00395 X(o=-0.004,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= -0.572 X(o=-0.57,f=-0.65) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.11 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -179:sc= -0.296 (180deg=-0.3) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 67:sc= 1.14 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 57:sc= 0.0359 USER MOD Single : A 49 SER OG : rot 30:sc= 0.895 USER MOD Single : A 51 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.01) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 60 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.99) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 179:sc= 0 (180deg=-0.00236) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.126 13.683 -20.201 1.00 25.00 N ATOM 2 CA GLY A 1 8.307 14.063 -18.963 1.00 25.00 C ATOM 3 C GLY A 1 9.005 13.838 -17.645 1.00 25.00 C ATOM 4 O GLY A 1 10.163 13.612 -17.615 1.00 25.00 O ATOM 0 H1 GLY A 1 9.169 14.494 -20.851 1.00 25.00 H new ATOM 0 H2 GLY A 1 10.090 13.419 -19.912 1.00 25.00 H new ATOM 0 H3 GLY A 1 8.676 12.878 -20.681 1.00 25.00 H new ATOM 0 HA2 GLY A 1 8.032 15.115 -19.037 1.00 25.00 H new ATOM 0 HA3 GLY A 1 7.380 13.490 -18.969 1.00 25.00 H new ATOM 9 N SER A 2 8.238 13.867 -16.569 1.00 25.00 N ATOM 10 CA SER A 2 8.815 13.678 -15.224 1.00 25.00 C ATOM 11 C SER A 2 9.457 12.304 -15.108 1.00 25.00 C ATOM 12 O SER A 2 10.532 12.165 -14.510 1.00 25.00 O ATOM 13 CB SER A 2 7.730 13.767 -14.158 1.00 25.00 C ATOM 14 OG SER A 2 6.596 12.985 -14.538 1.00 25.00 O ATOM 0 H SER A 2 7.229 14.016 -16.585 1.00 25.00 H new ATOM 0 HA SER A 2 9.559 14.461 -15.076 1.00 25.00 H new ATOM 0 HB2 SER A 2 8.119 13.415 -13.203 1.00 25.00 H new ATOM 0 HB3 SER A 2 7.433 14.806 -14.018 1.00 25.00 H new ATOM 0 HG SER A 2 5.907 13.049 -13.844 1.00 25.00 H new ATOM 20 N MET A 3 8.852 11.291 -15.721 1.00 25.00 N ATOM 21 CA MET A 3 9.506 9.946 -15.807 1.00 25.00 C ATOM 22 C MET A 3 8.970 9.152 -16.980 1.00 25.00 C ATOM 23 O MET A 3 9.710 8.629 -17.775 1.00 25.00 O ATOM 24 CB MET A 3 9.299 9.136 -14.501 1.00 25.00 C ATOM 25 CG MET A 3 7.817 9.087 -14.012 1.00 25.00 C ATOM 26 SD MET A 3 7.564 8.098 -12.511 1.00 25.00 S ATOM 27 CE MET A 3 7.652 6.385 -13.225 1.00 25.00 C ATOM 0 H MET A 3 7.934 11.350 -16.162 1.00 25.00 H new ATOM 0 HA MET A 3 10.573 10.118 -15.951 1.00 25.00 H new ATOM 0 HB2 MET A 3 9.653 8.117 -14.658 1.00 25.00 H new ATOM 0 HB3 MET A 3 9.916 9.570 -13.715 1.00 25.00 H new ATOM 0 HG2 MET A 3 7.473 10.105 -13.826 1.00 25.00 H new ATOM 0 HG3 MET A 3 7.195 8.682 -14.810 1.00 25.00 H new ATOM 0 HE1 MET A 3 7.515 5.652 -12.430 1.00 25.00 H new ATOM 0 HE2 MET A 3 6.868 6.261 -13.972 1.00 25.00 H new ATOM 0 HE3 MET A 3 8.625 6.235 -13.693 1.00 25.00 H new ATOM 37 N LYS A 4 7.630 9.124 -17.113 1.00 25.00 N ATOM 38 CA LYS A 4 6.902 8.319 -18.135 1.00 25.00 C ATOM 39 C LYS A 4 7.303 6.826 -18.017 1.00 25.00 C ATOM 40 O LYS A 4 7.856 6.438 -16.965 1.00 25.00 O ATOM 41 CB LYS A 4 7.122 8.869 -19.530 1.00 25.00 C ATOM 42 CG LYS A 4 6.476 10.194 -19.733 1.00 25.00 C ATOM 43 CD LYS A 4 6.660 10.675 -21.177 1.00 25.00 C ATOM 44 CE LYS A 4 5.743 11.856 -21.486 1.00 25.00 C ATOM 45 NZ LYS A 4 5.824 12.324 -22.864 1.00 25.00 N ATOM 0 H LYS A 4 7.008 9.663 -16.511 1.00 25.00 H new ATOM 0 HA LYS A 4 5.831 8.391 -17.944 1.00 25.00 H new ATOM 0 HB2 LYS A 4 8.192 8.959 -19.716 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.729 8.162 -20.261 1.00 25.00 H new ATOM 0 HG2 LYS A 4 5.413 10.125 -19.501 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.906 10.922 -19.045 1.00 25.00 H new ATOM 0 HD2 LYS A 4 7.698 10.966 -21.337 1.00 25.00 H new ATOM 0 HD3 LYS A 4 6.448 9.857 -21.865 1.00 25.00 H new ATOM 0 HE2 LYS A 4 4.714 11.570 -21.270 1.00 25.00 H new ATOM 0 HE3 LYS A 4 5.992 12.680 -20.818 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 5.175 13.125 -22.997 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 6.797 12.628 -23.071 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 5.558 11.552 -23.509 1.00 25.00 H new ATOM 59 N TYR A 5 7.049 6.030 -19.038 1.00 25.00 N ATOM 60 CA TYR A 5 7.338 4.600 -19.031 1.00 25.00 C ATOM 61 C TYR A 5 7.892 4.277 -20.396 1.00 25.00 C ATOM 62 O TYR A 5 7.881 5.127 -21.287 1.00 25.00 O ATOM 63 CB TYR A 5 6.021 3.817 -18.805 1.00 25.00 C ATOM 64 CG TYR A 5 5.859 3.333 -17.387 1.00 25.00 C ATOM 65 CD1 TYR A 5 5.469 4.226 -16.362 1.00 25.00 C ATOM 66 CD2 TYR A 5 6.052 1.963 -17.053 1.00 25.00 C ATOM 67 CE1 TYR A 5 5.254 3.732 -15.035 1.00 25.00 C ATOM 68 CE2 TYR A 5 5.845 1.478 -15.737 1.00 25.00 C ATOM 69 CZ TYR A 5 5.430 2.394 -14.724 1.00 25.00 C ATOM 70 OH TYR A 5 5.197 1.926 -13.487 1.00 25.00 O ATOM 0 H TYR A 5 6.631 6.358 -19.909 1.00 25.00 H new ATOM 0 HA TYR A 5 8.041 4.331 -18.243 1.00 25.00 H new ATOM 0 HB2 TYR A 5 5.176 4.455 -19.064 1.00 25.00 H new ATOM 0 HB3 TYR A 5 5.993 2.962 -19.480 1.00 25.00 H new ATOM 0 HD1 TYR A 5 5.334 5.275 -16.579 1.00 25.00 H new ATOM 0 HD2 TYR A 5 6.365 1.274 -17.823 1.00 25.00 H new ATOM 0 HE1 TYR A 5 4.948 4.418 -14.259 1.00 25.00 H new ATOM 0 HE2 TYR A 5 5.999 0.434 -15.505 1.00 25.00 H new ATOM 0 HH TYR A 5 5.375 0.963 -13.463 1.00 25.00 H new ATOM 80 N LEU A 6 8.344 3.019 -20.577 1.00 25.00 N ATOM 81 CA LEU A 6 8.847 2.578 -21.881 1.00 25.00 C ATOM 82 C LEU A 6 7.761 2.750 -22.924 1.00 25.00 C ATOM 83 O LEU A 6 7.990 3.245 -24.020 1.00 25.00 O ATOM 84 CB LEU A 6 9.306 1.088 -21.853 1.00 25.00 C ATOM 85 CG LEU A 6 10.582 0.654 -21.079 1.00 25.00 C ATOM 86 CD1 LEU A 6 10.735 -0.870 -21.098 1.00 25.00 C ATOM 87 CD2 LEU A 6 11.828 1.339 -21.668 1.00 25.00 C ATOM 0 H LEU A 6 8.369 2.307 -19.847 1.00 25.00 H new ATOM 0 HA LEU A 6 9.714 3.191 -22.130 1.00 25.00 H new ATOM 0 HB2 LEU A 6 8.476 0.507 -21.451 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.441 0.777 -22.889 1.00 25.00 H new ATOM 0 HG LEU A 6 10.479 0.969 -20.040 1.00 25.00 H new ATOM 0 HD11 LEU A 6 11.634 -1.152 -20.551 1.00 25.00 H new ATOM 0 HD12 LEU A 6 9.865 -1.329 -20.628 1.00 25.00 H new ATOM 0 HD13 LEU A 6 10.814 -1.215 -22.129 1.00 25.00 H new ATOM 0 HD21 LEU A 6 12.712 1.024 -21.114 1.00 25.00 H new ATOM 0 HD22 LEU A 6 11.937 1.058 -22.716 1.00 25.00 H new ATOM 0 HD23 LEU A 6 11.719 2.421 -21.592 1.00 25.00 H new ATOM 99 N ASN A 7 6.551 2.296 -22.555 1.00 25.00 N ATOM 100 CA ASN A 7 5.388 2.343 -23.447 1.00 25.00 C ATOM 101 C ASN A 7 5.688 1.681 -24.785 1.00 25.00 C ATOM 102 O ASN A 7 5.228 2.081 -25.829 1.00 25.00 O ATOM 103 CB ASN A 7 4.889 3.782 -23.677 1.00 25.00 C ATOM 104 CG ASN A 7 4.401 4.452 -22.418 1.00 25.00 C ATOM 105 OD1 ASN A 7 4.978 5.417 -21.941 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.360 3.907 -21.814 1.00 25.00 N ATOM 0 H ASN A 7 6.356 1.891 -21.639 1.00 25.00 H new ATOM 0 HA ASN A 7 4.595 1.787 -22.947 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.697 4.375 -24.106 1.00 25.00 H new ATOM 0 HB3 ASN A 7 4.081 3.767 -24.409 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.023 4.292 -20.931 1.00 25.00 H new ATOM 0 HD22 ASN A 7 2.893 3.101 -22.230 1.00 25.00 H new ATOM 113 N VAL A 8 6.531 0.666 -24.709 1.00 25.00 N ATOM 114 CA VAL A 8 6.978 -0.158 -25.840 1.00 25.00 C ATOM 115 C VAL A 8 6.067 -1.406 -25.699 1.00 25.00 C ATOM 116 O VAL A 8 5.702 -1.786 -24.591 1.00 25.00 O ATOM 117 CB VAL A 8 8.516 -0.557 -25.684 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.932 -1.648 -26.685 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.388 0.662 -25.845 1.00 25.00 C ATOM 0 H VAL A 8 6.945 0.374 -23.824 1.00 25.00 H new ATOM 0 HA VAL A 8 6.905 0.340 -26.807 1.00 25.00 H new ATOM 0 HB VAL A 8 8.650 -0.966 -24.683 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.986 -1.889 -26.544 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.330 -2.542 -26.520 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.775 -1.288 -27.702 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.435 0.378 -25.737 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.230 1.094 -26.833 1.00 25.00 H new ATOM 0 HG23 VAL A 8 9.131 1.397 -25.082 1.00 25.00 H new ATOM 129 N LEU A 9 5.703 -2.016 -26.826 1.00 25.00 N ATOM 130 CA LEU A 9 4.848 -3.177 -26.823 1.00 25.00 C ATOM 131 C LEU A 9 5.449 -4.245 -27.727 1.00 25.00 C ATOM 132 O LEU A 9 6.350 -3.972 -28.500 1.00 25.00 O ATOM 133 CB LEU A 9 3.427 -2.796 -27.294 1.00 25.00 C ATOM 134 CG LEU A 9 3.346 -1.800 -28.491 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.348 -2.273 -29.500 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.010 -0.378 -28.002 1.00 25.00 C ATOM 0 H LEU A 9 5.996 -1.713 -27.755 1.00 25.00 H new ATOM 0 HA LEU A 9 4.772 -3.571 -25.810 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.901 -3.709 -27.571 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.890 -2.363 -26.450 1.00 25.00 H new ATOM 0 HG LEU A 9 4.323 -1.762 -28.972 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.305 -1.566 -30.328 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.645 -3.253 -29.874 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.366 -2.346 -29.034 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.959 0.298 -28.856 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.048 -0.387 -27.489 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.784 -0.037 -27.315 1.00 25.00 H new ATOM 148 N ALA A 10 4.990 -5.485 -27.589 1.00 25.00 N ATOM 149 CA ALA A 10 5.559 -6.597 -28.344 1.00 25.00 C ATOM 150 C ALA A 10 4.490 -7.642 -28.613 1.00 25.00 C ATOM 151 O ALA A 10 3.520 -7.737 -27.878 1.00 25.00 O ATOM 152 CB ALA A 10 6.749 -7.216 -27.544 1.00 25.00 C ATOM 0 H ALA A 10 4.228 -5.745 -26.963 1.00 25.00 H new ATOM 0 HA ALA A 10 5.932 -6.235 -29.302 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.174 -8.046 -28.108 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.514 -6.457 -27.385 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.391 -7.578 -26.580 1.00 25.00 H new ATOM 158 N LYS A 11 4.649 -8.408 -29.680 1.00 25.00 N ATOM 159 CA LYS A 11 3.716 -9.456 -30.077 1.00 25.00 C ATOM 160 C LYS A 11 4.305 -10.747 -29.652 1.00 25.00 C ATOM 161 O LYS A 11 5.476 -10.960 -29.846 1.00 25.00 O ATOM 162 CB LYS A 11 3.559 -9.450 -31.605 1.00 25.00 C ATOM 163 CG LYS A 11 2.460 -10.445 -32.123 1.00 25.00 C ATOM 164 CD LYS A 11 3.070 -11.620 -32.864 1.00 25.00 C ATOM 165 CE LYS A 11 3.670 -11.242 -34.249 1.00 25.00 C ATOM 166 NZ LYS A 11 2.645 -10.955 -35.280 1.00 25.00 N ATOM 0 H LYS A 11 5.447 -8.319 -30.309 1.00 25.00 H new ATOM 0 HA LYS A 11 2.738 -9.300 -29.622 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.309 -8.441 -31.933 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.515 -9.706 -32.062 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.874 -10.811 -31.280 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.772 -9.916 -32.783 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.853 -12.061 -32.247 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.307 -12.385 -33.005 1.00 25.00 H new ATOM 0 HE2 LYS A 11 4.311 -10.368 -34.132 1.00 25.00 H new ATOM 0 HE3 LYS A 11 4.304 -12.058 -34.596 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.113 -10.711 -36.176 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.048 -11.795 -35.419 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.054 -10.158 -34.969 1.00 25.00 H new ATOM 180 N ALA A 12 3.496 -11.617 -29.103 1.00 25.00 N ATOM 181 CA ALA A 12 3.946 -12.907 -28.668 1.00 25.00 C ATOM 182 C ALA A 12 4.104 -13.903 -29.820 1.00 25.00 C ATOM 183 O ALA A 12 3.221 -14.066 -30.642 1.00 25.00 O ATOM 184 CB ALA A 12 3.024 -13.449 -27.633 1.00 25.00 C ATOM 0 H ALA A 12 2.503 -11.446 -28.946 1.00 25.00 H new ATOM 0 HA ALA A 12 4.938 -12.770 -28.237 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.375 -14.429 -27.310 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.998 -12.773 -26.778 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.022 -13.543 -28.052 1.00 25.00 H new ATOM 190 N LEU A 13 5.271 -14.534 -29.885 1.00 25.00 N ATOM 191 CA LEU A 13 5.607 -15.520 -30.905 1.00 25.00 C ATOM 192 C LEU A 13 5.198 -16.944 -30.463 1.00 25.00 C ATOM 193 O LEU A 13 5.173 -17.844 -31.303 1.00 25.00 O ATOM 194 CB LEU A 13 7.105 -15.492 -31.228 1.00 25.00 C ATOM 195 CG LEU A 13 7.663 -14.111 -31.674 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.170 -14.261 -31.828 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.988 -13.674 -33.025 1.00 25.00 C ATOM 0 H LEU A 13 6.025 -14.371 -29.217 1.00 25.00 H new ATOM 0 HA LEU A 13 5.048 -15.258 -31.803 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.656 -15.821 -30.347 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.303 -16.218 -32.017 1.00 25.00 H new ATOM 0 HG LEU A 13 7.443 -13.337 -30.939 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.600 -13.310 -32.141 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.605 -14.560 -30.874 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.385 -15.021 -32.579 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.383 -12.706 -33.332 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.203 -14.415 -33.795 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.910 -13.598 -32.885 1.00 25.00 H new ATOM 209 N TYR A 14 4.974 -17.140 -29.156 1.00 25.00 N ATOM 210 CA TYR A 14 4.658 -18.456 -28.637 1.00 25.00 C ATOM 211 C TYR A 14 3.529 -18.287 -27.638 1.00 25.00 C ATOM 212 O TYR A 14 3.225 -17.161 -27.249 1.00 25.00 O ATOM 213 CB TYR A 14 5.854 -19.062 -27.910 1.00 25.00 C ATOM 214 CG TYR A 14 7.053 -19.337 -28.801 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.008 -18.332 -29.009 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.270 -20.592 -29.401 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.118 -18.554 -29.843 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.420 -20.795 -30.221 1.00 25.00 C ATOM 219 CZ TYR A 14 9.322 -19.760 -30.430 1.00 25.00 C ATOM 220 OH TYR A 14 10.412 -19.893 -31.261 1.00 25.00 O ATOM 0 H TYR A 14 5.008 -16.403 -28.452 1.00 25.00 H new ATOM 0 HA TYR A 14 4.385 -19.115 -29.461 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.158 -18.387 -27.110 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.544 -19.995 -27.440 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.890 -17.375 -28.522 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.569 -21.398 -29.241 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.819 -17.752 -30.019 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.590 -21.757 -30.681 1.00 25.00 H new ATOM 0 HH TYR A 14 10.443 -20.806 -31.616 1.00 25.00 H new ATOM 230 N ASP A 15 2.941 -19.390 -27.202 1.00 25.00 N ATOM 231 CA ASP A 15 1.839 -19.397 -26.213 1.00 25.00 C ATOM 232 C ASP A 15 2.281 -20.010 -24.886 1.00 25.00 C ATOM 233 O ASP A 15 3.304 -20.692 -24.846 1.00 25.00 O ATOM 234 CB ASP A 15 0.655 -20.199 -26.762 1.00 25.00 C ATOM 235 CG ASP A 15 1.011 -21.674 -26.972 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.919 -21.961 -27.804 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.263 -22.522 -26.433 1.00 25.00 O ATOM 0 H ASP A 15 3.207 -20.322 -27.519 1.00 25.00 H new ATOM 0 HA ASP A 15 1.546 -18.362 -26.036 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.186 -20.123 -26.072 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.331 -19.766 -27.708 1.00 25.00 H new ATOM 242 N ASN A 16 1.629 -19.632 -23.787 1.00 25.00 N ATOM 243 CA ASN A 16 2.049 -20.054 -22.459 1.00 25.00 C ATOM 244 C ASN A 16 0.868 -20.021 -21.470 1.00 25.00 C ATOM 245 O ASN A 16 -0.161 -19.326 -21.679 1.00 25.00 O ATOM 246 CB ASN A 16 3.154 -19.099 -21.996 1.00 25.00 C ATOM 247 CG ASN A 16 3.670 -19.417 -20.595 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.165 -20.496 -20.353 1.00 25.00 O ATOM 249 ND2 ASN A 16 3.577 -18.501 -19.707 1.00 25.00 N ATOM 0 H ASN A 16 0.805 -19.031 -23.795 1.00 25.00 H new ATOM 0 HA ASN A 16 2.415 -21.080 -22.494 1.00 25.00 H new ATOM 0 HB2 ASN A 16 3.984 -19.143 -22.701 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.775 -18.077 -22.014 1.00 25.00 H new ATOM 0 HD21 ASN A 16 3.925 -18.669 -18.763 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.155 -17.603 -19.943 1.00 25.00 H new ATOM 256 N VAL A 17 1.045 -20.711 -20.359 1.00 25.00 N ATOM 257 CA VAL A 17 0.081 -20.685 -19.255 1.00 25.00 C ATOM 258 C VAL A 17 0.926 -20.315 -18.076 1.00 25.00 C ATOM 259 O VAL A 17 1.990 -20.876 -17.919 1.00 25.00 O ATOM 260 CB VAL A 17 -0.632 -22.073 -19.037 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.604 -21.982 -17.877 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.422 -22.504 -20.358 1.00 25.00 C ATOM 0 H VAL A 17 1.856 -21.306 -20.188 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.739 -19.991 -19.439 1.00 25.00 H new ATOM 0 HB VAL A 17 0.129 -22.821 -18.814 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -2.092 -22.946 -17.734 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -1.064 -21.711 -16.970 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -2.356 -21.223 -18.091 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.910 -23.465 -20.193 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -2.174 -21.751 -20.594 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.722 -22.591 -21.189 1.00 25.00 H new ATOM 272 N ALA A 18 0.506 -19.306 -17.316 1.00 25.00 N ATOM 273 CA ALA A 18 1.269 -18.868 -16.141 1.00 25.00 C ATOM 274 C ALA A 18 1.009 -19.826 -14.987 1.00 25.00 C ATOM 275 O ALA A 18 -0.149 -20.061 -14.643 1.00 25.00 O ATOM 276 CB ALA A 18 0.873 -17.449 -15.760 1.00 25.00 C ATOM 0 H ALA A 18 -0.350 -18.778 -17.487 1.00 25.00 H new ATOM 0 HA ALA A 18 2.334 -18.873 -16.374 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.445 -17.134 -14.887 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.081 -16.777 -16.593 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.191 -17.418 -15.527 1.00 25.00 H new ATOM 282 N GLU A 19 2.053 -20.356 -14.404 1.00 25.00 N ATOM 283 CA GLU A 19 1.948 -21.232 -13.234 1.00 25.00 C ATOM 284 C GLU A 19 2.017 -20.426 -11.930 1.00 25.00 C ATOM 285 O GLU A 19 1.646 -20.891 -10.859 1.00 25.00 O ATOM 286 CB GLU A 19 3.087 -22.253 -13.221 1.00 25.00 C ATOM 287 CG GLU A 19 3.236 -23.103 -14.510 1.00 25.00 C ATOM 288 CD GLU A 19 4.102 -24.362 -14.239 1.00 25.00 C ATOM 289 OE1 GLU A 19 3.616 -25.488 -14.513 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.233 -24.184 -13.696 1.00 25.00 O ATOM 0 H GLU A 19 3.011 -20.200 -14.718 1.00 25.00 H new ATOM 0 HA GLU A 19 0.986 -21.741 -13.301 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.024 -21.724 -13.045 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.938 -22.927 -12.377 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.252 -23.403 -14.870 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.694 -22.503 -15.297 1.00 25.00 H new ATOM 297 N SER A 20 2.453 -19.160 -12.066 1.00 25.00 N ATOM 298 CA SER A 20 2.661 -18.280 -10.908 1.00 25.00 C ATOM 299 C SER A 20 1.969 -16.941 -11.197 1.00 25.00 C ATOM 300 O SER A 20 1.816 -16.581 -12.357 1.00 25.00 O ATOM 301 CB SER A 20 4.175 -18.114 -10.710 1.00 25.00 C ATOM 302 OG SER A 20 4.880 -19.339 -10.612 1.00 25.00 O ATOM 0 H SER A 20 2.667 -18.727 -12.965 1.00 25.00 H new ATOM 0 HA SER A 20 2.236 -18.692 -9.993 1.00 25.00 H new ATOM 0 HB2 SER A 20 4.579 -17.539 -11.543 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.351 -17.532 -9.806 1.00 25.00 H new ATOM 0 HG SER A 20 5.835 -19.158 -10.489 1.00 25.00 H new ATOM 308 N PRO A 21 1.567 -16.155 -10.175 1.00 25.00 N ATOM 309 CA PRO A 21 0.982 -14.829 -10.456 1.00 25.00 C ATOM 310 C PRO A 21 2.022 -13.781 -10.865 1.00 25.00 C ATOM 311 O PRO A 21 1.687 -12.715 -11.317 1.00 25.00 O ATOM 312 CB PRO A 21 0.357 -14.419 -9.128 1.00 25.00 C ATOM 313 CG PRO A 21 1.207 -15.099 -8.134 1.00 25.00 C ATOM 314 CD PRO A 21 1.565 -16.441 -8.739 1.00 25.00 C ATOM 0 HA PRO A 21 0.284 -14.887 -11.291 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.367 -13.337 -8.995 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.682 -14.739 -9.056 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.103 -14.515 -7.922 1.00 25.00 H new ATOM 0 HG3 PRO A 21 0.678 -15.225 -7.189 1.00 25.00 H new ATOM 0 HD2 PRO A 21 2.537 -16.794 -8.395 1.00 25.00 H new ATOM 0 HD3 PRO A 21 0.837 -17.209 -8.480 1.00 25.00 H new ATOM 322 N ASP A 22 3.275 -14.106 -10.719 1.00 25.00 N ATOM 323 CA ASP A 22 4.369 -13.220 -11.093 1.00 25.00 C ATOM 324 C ASP A 22 4.638 -13.427 -12.558 1.00 25.00 C ATOM 325 O ASP A 22 5.531 -12.820 -13.102 1.00 25.00 O ATOM 326 CB ASP A 22 5.638 -13.627 -10.319 1.00 25.00 C ATOM 327 CG ASP A 22 5.553 -13.256 -8.834 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.027 -12.179 -8.481 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.014 -14.063 -8.023 1.00 25.00 O ATOM 0 H ASP A 22 3.581 -15.000 -10.334 1.00 25.00 H new ATOM 0 HA ASP A 22 4.111 -12.184 -10.872 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.791 -14.702 -10.415 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.505 -13.140 -10.765 1.00 25.00 H new ATOM 334 N GLU A 23 3.966 -14.363 -13.178 1.00 25.00 N ATOM 335 CA GLU A 23 4.278 -14.791 -14.542 1.00 25.00 C ATOM 336 C GLU A 23 3.032 -14.478 -15.361 1.00 25.00 C ATOM 337 O GLU A 23 1.900 -14.526 -14.828 1.00 25.00 O ATOM 338 CB GLU A 23 4.552 -16.321 -14.467 1.00 25.00 C ATOM 339 CG GLU A 23 5.232 -16.841 -15.720 1.00 25.00 C ATOM 340 CD GLU A 23 5.501 -18.344 -15.611 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.668 -18.770 -15.650 1.00 25.00 O ATOM 342 OE2 GLU A 23 4.521 -19.080 -15.417 1.00 25.00 O ATOM 0 H GLU A 23 3.180 -14.860 -12.759 1.00 25.00 H new ATOM 0 HA GLU A 23 5.142 -14.300 -14.990 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.177 -16.535 -13.600 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.611 -16.851 -14.319 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.604 -16.642 -16.589 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.171 -16.310 -15.876 1.00 25.00 H new ATOM 349 N LEU A 24 3.191 -14.171 -16.639 1.00 25.00 N ATOM 350 CA LEU A 24 2.007 -13.831 -17.442 1.00 25.00 C ATOM 351 C LEU A 24 1.545 -14.967 -18.367 1.00 25.00 C ATOM 352 O LEU A 24 2.300 -15.527 -19.143 1.00 25.00 O ATOM 353 CB LEU A 24 2.280 -12.584 -18.285 1.00 25.00 C ATOM 354 CG LEU A 24 1.392 -11.386 -17.920 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.738 -10.168 -18.798 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.111 -11.635 -18.030 1.00 25.00 C ATOM 0 H LEU A 24 4.083 -14.147 -17.134 1.00 25.00 H new ATOM 0 HA LEU A 24 1.204 -13.648 -16.728 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.326 -12.299 -18.168 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.132 -12.828 -19.337 1.00 25.00 H new ATOM 0 HG LEU A 24 1.609 -11.203 -16.868 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.098 -9.329 -18.525 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.782 -9.894 -18.645 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.579 -10.419 -19.847 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.651 -10.730 -17.752 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.361 -11.906 -19.056 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.395 -12.447 -17.361 1.00 25.00 H new ATOM 368 N SER A 25 0.241 -15.228 -18.371 1.00 25.00 N ATOM 369 CA SER A 25 -0.382 -16.139 -19.350 1.00 25.00 C ATOM 370 C SER A 25 -0.697 -15.451 -20.714 1.00 25.00 C ATOM 371 O SER A 25 -1.807 -14.987 -20.973 1.00 25.00 O ATOM 372 CB SER A 25 -1.699 -16.634 -18.799 1.00 25.00 C ATOM 373 OG SER A 25 -2.251 -15.761 -17.807 1.00 25.00 O ATOM 0 H SER A 25 -0.416 -14.822 -17.705 1.00 25.00 H new ATOM 0 HA SER A 25 0.334 -16.943 -19.519 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.411 -16.743 -19.617 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.557 -17.624 -18.366 1.00 25.00 H new ATOM 0 HG SER A 25 -3.102 -16.127 -17.486 1.00 25.00 H new ATOM 379 N PHE A 26 0.354 -15.389 -21.547 1.00 25.00 N ATOM 380 CA PHE A 26 0.255 -14.837 -22.919 1.00 25.00 C ATOM 381 C PHE A 26 0.072 -15.940 -23.997 1.00 25.00 C ATOM 382 O PHE A 26 0.409 -17.086 -23.737 1.00 25.00 O ATOM 383 CB PHE A 26 1.510 -14.027 -23.241 1.00 25.00 C ATOM 384 CG PHE A 26 2.769 -14.851 -23.179 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.442 -15.083 -21.942 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.315 -15.452 -24.335 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.642 -15.847 -21.856 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.513 -16.201 -24.255 1.00 25.00 C ATOM 389 CZ PHE A 26 5.161 -16.406 -23.015 1.00 25.00 C ATOM 0 H PHE A 26 1.288 -15.714 -21.298 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.631 -14.202 -22.943 1.00 25.00 H new ATOM 0 HB2 PHE A 26 1.413 -13.595 -24.237 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.590 -13.196 -22.540 1.00 25.00 H new ATOM 0 HD1 PHE A 26 3.026 -14.664 -21.037 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.815 -15.339 -25.286 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.138 -15.988 -20.907 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.938 -16.622 -25.154 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.062 -16.999 -22.970 1.00 25.00 H new ATOM 399 N ARG A 27 -0.530 -15.597 -25.144 1.00 25.00 N ATOM 400 CA ARG A 27 -0.782 -16.592 -26.221 1.00 25.00 C ATOM 401 C ARG A 27 -0.160 -16.013 -27.488 1.00 25.00 C ATOM 402 O ARG A 27 -0.074 -14.810 -27.668 1.00 25.00 O ATOM 403 CB ARG A 27 -2.288 -16.813 -26.399 1.00 25.00 C ATOM 404 CG ARG A 27 -2.931 -17.562 -25.207 1.00 25.00 C ATOM 405 CD ARG A 27 -4.425 -17.863 -25.466 1.00 25.00 C ATOM 406 NE ARG A 27 -5.267 -16.669 -25.544 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.909 -16.107 -24.526 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.876 -16.555 -23.319 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.636 -15.052 -24.772 1.00 25.00 N ATOM 0 H ARG A 27 -0.852 -14.653 -25.358 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.347 -17.562 -25.982 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.780 -15.848 -26.523 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.462 -17.379 -27.314 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.396 -18.495 -25.031 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.831 -16.962 -24.302 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.517 -18.421 -26.398 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.799 -18.507 -24.670 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.370 -16.230 -26.459 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.333 -17.390 -23.100 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -6.393 -16.075 -22.582 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.697 -14.685 -25.722 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.143 -14.594 -24.015 1.00 25.00 H new ATOM 423 N LYS A 28 0.240 -16.908 -28.414 1.00 25.00 N ATOM 424 CA LYS A 28 0.864 -16.457 -29.651 1.00 25.00 C ATOM 425 C LYS A 28 -0.077 -15.518 -30.452 1.00 25.00 C ATOM 426 O LYS A 28 -1.246 -15.792 -30.601 1.00 25.00 O ATOM 427 CB LYS A 28 1.340 -17.658 -30.466 1.00 25.00 C ATOM 428 CG LYS A 28 0.242 -18.599 -30.975 1.00 25.00 C ATOM 429 CD LYS A 28 0.810 -19.935 -31.447 1.00 25.00 C ATOM 430 CE LYS A 28 -0.309 -20.899 -31.922 1.00 25.00 C ATOM 431 NZ LYS A 28 0.191 -22.294 -32.293 1.00 25.00 N ATOM 0 H LYS A 28 0.141 -17.919 -28.324 1.00 25.00 H new ATOM 0 HA LYS A 28 1.743 -15.860 -29.407 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.903 -17.290 -31.324 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.033 -18.236 -29.854 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.483 -18.774 -30.180 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.293 -18.122 -31.796 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.513 -19.764 -32.262 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.370 -20.399 -30.635 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -1.056 -20.989 -31.133 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.809 -20.461 -32.786 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.611 -22.880 -32.600 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.882 -22.221 -33.067 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.643 -22.732 -31.465 1.00 25.00 H new ATOM 445 N GLY A 29 0.476 -14.453 -30.927 1.00 25.00 N ATOM 446 CA GLY A 29 -0.281 -13.476 -31.699 1.00 25.00 C ATOM 447 C GLY A 29 -0.888 -12.373 -30.874 1.00 25.00 C ATOM 448 O GLY A 29 -1.211 -11.309 -31.374 1.00 25.00 O ATOM 0 H GLY A 29 1.461 -14.219 -30.802 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.376 -13.034 -32.448 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.076 -13.992 -32.237 1.00 25.00 H new ATOM 452 N ASP A 30 -0.933 -12.568 -29.578 1.00 25.00 N ATOM 453 CA ASP A 30 -1.366 -11.510 -28.682 1.00 25.00 C ATOM 454 C ASP A 30 -0.305 -10.393 -28.525 1.00 25.00 C ATOM 455 O ASP A 30 0.887 -10.637 -28.776 1.00 25.00 O ATOM 456 CB ASP A 30 -1.696 -12.133 -27.344 1.00 25.00 C ATOM 457 CG ASP A 30 -2.755 -11.376 -26.571 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.337 -12.036 -25.724 1.00 25.00 O ATOM 459 OD2 ASP A 30 -2.980 -10.176 -26.808 1.00 25.00 O ATOM 0 H ASP A 30 -0.678 -13.442 -29.117 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.246 -11.028 -29.107 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -2.035 -13.157 -27.502 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.788 -12.187 -26.743 1.00 25.00 H new ATOM 464 N ILE A 31 -0.762 -9.204 -28.097 1.00 25.00 N ATOM 465 CA ILE A 31 0.087 -8.021 -27.910 1.00 25.00 C ATOM 466 C ILE A 31 0.087 -7.607 -26.483 1.00 25.00 C ATOM 467 O ILE A 31 -0.960 -7.476 -25.893 1.00 25.00 O ATOM 468 CB ILE A 31 -0.439 -6.789 -28.764 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.771 -7.206 -30.226 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.580 -5.634 -28.736 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.371 -7.835 -31.004 1.00 25.00 C ATOM 0 H ILE A 31 -1.742 -9.038 -27.869 1.00 25.00 H new ATOM 0 HA ILE A 31 1.090 -8.295 -28.236 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.365 -6.440 -28.308 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.603 -7.910 -30.204 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.114 -6.324 -30.767 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.201 -4.800 -29.327 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.734 -5.309 -27.707 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.527 -5.974 -29.155 1.00 25.00 H new ATOM 0 HD11 ILE A 31 0.031 -8.087 -32.009 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.200 -7.130 -31.067 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.703 -8.740 -30.495 1.00 25.00 H new ATOM 483 N MET A 32 1.272 -7.332 -25.948 1.00 25.00 N ATOM 484 CA MET A 32 1.415 -6.869 -24.584 1.00 25.00 C ATOM 485 C MET A 32 2.475 -5.811 -24.468 1.00 25.00 C ATOM 486 O MET A 32 3.460 -5.775 -25.217 1.00 25.00 O ATOM 487 CB MET A 32 1.722 -8.038 -23.654 1.00 25.00 C ATOM 488 CG MET A 32 2.953 -8.829 -24.010 1.00 25.00 C ATOM 489 SD MET A 32 2.688 -10.591 -23.971 1.00 25.00 S ATOM 490 CE MET A 32 1.607 -10.757 -25.465 1.00 25.00 C ATOM 0 H MET A 32 2.154 -7.425 -26.451 1.00 25.00 H new ATOM 0 HA MET A 32 0.467 -6.421 -24.285 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.835 -7.656 -22.640 1.00 25.00 H new ATOM 0 HB3 MET A 32 0.865 -8.712 -23.647 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.288 -8.540 -25.006 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.755 -8.573 -23.318 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.321 -11.801 -25.593 1.00 25.00 H new ATOM 0 HE2 MET A 32 0.712 -10.149 -25.336 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.151 -10.419 -26.347 1.00 25.00 H new ATOM 500 N THR A 33 2.243 -4.933 -23.549 1.00 25.00 N ATOM 501 CA THR A 33 3.114 -3.805 -23.305 1.00 25.00 C ATOM 502 C THR A 33 4.224 -4.171 -22.368 1.00 25.00 C ATOM 503 O THR A 33 3.995 -4.761 -21.325 1.00 25.00 O ATOM 504 CB THR A 33 2.294 -2.674 -22.708 1.00 25.00 C ATOM 505 OG1 THR A 33 1.113 -2.505 -23.486 1.00 25.00 O ATOM 506 CG2 THR A 33 3.044 -1.352 -22.706 1.00 25.00 C ATOM 0 H THR A 33 1.433 -4.970 -22.930 1.00 25.00 H new ATOM 0 HA THR A 33 3.560 -3.494 -24.250 1.00 25.00 H new ATOM 0 HB THR A 33 2.069 -2.943 -21.676 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.574 -1.778 -23.109 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.414 -0.577 -22.269 1.00 25.00 H new ATOM 0 HG22 THR A 33 3.956 -1.452 -22.118 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.300 -1.077 -23.729 1.00 25.00 H new ATOM 514 N VAL A 34 5.422 -3.841 -22.751 1.00 25.00 N ATOM 515 CA VAL A 34 6.631 -4.133 -21.948 1.00 25.00 C ATOM 516 C VAL A 34 6.848 -2.941 -21.069 1.00 25.00 C ATOM 517 O VAL A 34 6.916 -1.796 -21.568 1.00 25.00 O ATOM 518 CB VAL A 34 7.882 -4.376 -22.883 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.123 -4.607 -22.069 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.586 -5.568 -23.838 1.00 25.00 C ATOM 0 H VAL A 34 5.617 -3.359 -23.629 1.00 25.00 H new ATOM 0 HA VAL A 34 6.502 -5.040 -21.358 1.00 25.00 H new ATOM 0 HB VAL A 34 8.063 -3.486 -23.486 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.970 -4.772 -22.735 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.317 -3.734 -21.445 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.985 -5.483 -21.435 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.447 -5.739 -24.485 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.390 -6.465 -23.250 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.713 -5.337 -24.449 1.00 25.00 H new ATOM 530 N LEU A 35 6.951 -3.199 -19.763 1.00 25.00 N ATOM 531 CA LEU A 35 7.135 -2.108 -18.803 1.00 25.00 C ATOM 532 C LEU A 35 8.586 -1.970 -18.350 1.00 25.00 C ATOM 533 O LEU A 35 9.094 -0.855 -18.172 1.00 25.00 O ATOM 534 CB LEU A 35 6.272 -2.351 -17.558 1.00 25.00 C ATOM 535 CG LEU A 35 4.756 -2.537 -17.749 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.157 -2.944 -16.392 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.035 -1.325 -18.285 1.00 25.00 C ATOM 0 H LEU A 35 6.911 -4.132 -19.352 1.00 25.00 H new ATOM 0 HA LEU A 35 6.839 -1.192 -19.314 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.656 -3.239 -17.055 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.422 -1.511 -16.880 1.00 25.00 H new ATOM 0 HG LEU A 35 4.619 -3.307 -18.509 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.081 -3.083 -16.496 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.613 -3.876 -16.058 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.352 -2.161 -15.659 1.00 25.00 H new ATOM 0 HD21 LEU A 35 2.973 -1.549 -18.387 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.165 -0.490 -17.597 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.445 -1.059 -19.259 1.00 25.00 H new ATOM 549 N GLU A 36 9.261 -3.074 -18.214 1.00 25.00 N ATOM 550 CA GLU A 36 10.707 -3.120 -17.827 1.00 25.00 C ATOM 551 C GLU A 36 11.330 -4.314 -18.508 1.00 25.00 C ATOM 552 O GLU A 36 10.682 -5.303 -18.669 1.00 25.00 O ATOM 553 CB GLU A 36 10.846 -3.352 -16.277 1.00 25.00 C ATOM 554 CG GLU A 36 12.198 -3.081 -15.822 1.00 25.00 C ATOM 555 CD GLU A 36 12.313 -3.258 -14.314 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.307 -3.708 -13.708 1.00 25.00 O ATOM 557 OE2 GLU A 36 13.366 -2.984 -13.760 1.00 25.00 O ATOM 0 H GLU A 36 8.851 -3.996 -18.362 1.00 25.00 H new ATOM 0 HA GLU A 36 11.186 -2.183 -18.111 1.00 25.00 H new ATOM 0 HB2 GLU A 36 10.145 -2.707 -15.746 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.578 -4.381 -16.036 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.896 -3.751 -16.324 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.480 -2.064 -16.095 1.00 25.00 H new ATOM 564 N ARG A 37 12.593 -4.256 -18.928 1.00 25.00 N ATOM 565 CA ARG A 37 13.271 -5.461 -19.478 1.00 25.00 C ATOM 566 C ARG A 37 14.344 -5.787 -18.441 1.00 25.00 C ATOM 567 O ARG A 37 14.749 -4.877 -17.737 1.00 25.00 O ATOM 568 CB ARG A 37 13.914 -5.182 -20.869 1.00 25.00 C ATOM 569 CG ARG A 37 12.856 -4.849 -21.865 1.00 25.00 C ATOM 570 CD ARG A 37 13.315 -4.869 -23.304 1.00 25.00 C ATOM 571 NE ARG A 37 14.030 -3.638 -23.677 1.00 25.00 N ATOM 572 CZ ARG A 37 14.314 -3.284 -24.928 1.00 25.00 C ATOM 573 NH1 ARG A 37 13.982 -4.043 -25.955 1.00 25.00 N ATOM 574 NH2 ARG A 37 14.933 -2.159 -25.157 1.00 25.00 N ATOM 0 H ARG A 37 13.169 -3.414 -18.905 1.00 25.00 H new ATOM 0 HA ARG A 37 12.573 -6.282 -19.643 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.624 -4.358 -20.792 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.475 -6.056 -21.201 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.033 -5.555 -21.750 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.461 -3.859 -21.638 1.00 25.00 H new ATOM 0 HD2 ARG A 37 13.967 -5.728 -23.464 1.00 25.00 H new ATOM 0 HD3 ARG A 37 12.452 -4.998 -23.957 1.00 25.00 H new ATOM 0 HE ARG A 37 14.328 -3.015 -22.927 1.00 25.00 H new ATOM 0 HH11 ARG A 37 13.495 -4.926 -25.800 1.00 25.00 H new ATOM 0 HH12 ARG A 37 14.212 -3.747 -26.904 1.00 25.00 H new ATOM 0 HH21 ARG A 37 15.197 -1.555 -24.379 1.00 25.00 H new ATOM 0 HH22 ARG A 37 15.153 -1.884 -26.114 1.00 25.00 H new ATOM 588 N ASP A 38 14.720 -7.057 -18.302 1.00 25.00 N ATOM 589 CA ASP A 38 15.679 -7.494 -17.263 1.00 25.00 C ATOM 590 C ASP A 38 15.139 -7.155 -15.837 1.00 25.00 C ATOM 591 O ASP A 38 15.870 -6.720 -14.952 1.00 25.00 O ATOM 592 CB ASP A 38 17.138 -6.985 -17.534 1.00 25.00 C ATOM 593 CG ASP A 38 17.649 -7.396 -18.895 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.532 -6.581 -19.859 1.00 25.00 O ATOM 595 OD2 ASP A 38 18.055 -8.581 -19.077 1.00 25.00 O ATOM 0 H ASP A 38 14.378 -7.813 -18.895 1.00 25.00 H new ATOM 0 HA ASP A 38 15.762 -8.580 -17.312 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.161 -5.898 -17.453 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.805 -7.376 -16.765 1.00 25.00 H new ATOM 600 N THR A 39 13.834 -7.405 -15.663 1.00 25.00 N ATOM 601 CA THR A 39 13.115 -6.950 -14.475 1.00 25.00 C ATOM 602 C THR A 39 13.447 -7.656 -13.148 1.00 25.00 C ATOM 603 O THR A 39 13.108 -7.184 -12.058 1.00 25.00 O ATOM 604 CB THR A 39 11.567 -7.056 -14.729 1.00 25.00 C ATOM 605 OG1 THR A 39 10.825 -6.453 -13.662 1.00 25.00 O ATOM 606 CG2 THR A 39 11.104 -8.540 -14.852 1.00 25.00 C ATOM 0 H THR A 39 13.260 -7.919 -16.331 1.00 25.00 H new ATOM 0 HA THR A 39 13.454 -5.923 -14.337 1.00 25.00 H new ATOM 0 HB THR A 39 11.375 -6.532 -15.665 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.982 -5.486 -13.660 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.029 -8.572 -15.027 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.622 -9.015 -15.685 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.338 -9.072 -13.930 1.00 25.00 H new ATOM 614 N GLN A 40 14.045 -8.827 -13.238 1.00 25.00 N ATOM 615 CA GLN A 40 14.418 -9.584 -12.041 1.00 25.00 C ATOM 616 C GLN A 40 15.914 -9.733 -11.984 1.00 25.00 C ATOM 617 O GLN A 40 16.457 -10.530 -11.245 1.00 25.00 O ATOM 618 CB GLN A 40 13.760 -10.937 -12.078 1.00 25.00 C ATOM 619 CG GLN A 40 13.443 -11.470 -10.739 1.00 25.00 C ATOM 620 CD GLN A 40 13.404 -12.975 -10.692 1.00 25.00 C ATOM 621 OE1 GLN A 40 14.421 -13.642 -10.439 1.00 25.00 O ATOM 622 NE2 GLN A 40 12.261 -13.542 -10.901 1.00 25.00 N ATOM 0 H GLN A 40 14.286 -9.281 -14.119 1.00 25.00 H new ATOM 0 HA GLN A 40 14.083 -9.051 -11.151 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.842 -10.871 -12.661 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.416 -11.638 -12.594 1.00 25.00 H new ATOM 0 HG2 GLN A 40 14.186 -11.110 -10.027 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.478 -11.078 -10.418 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.440 -12.973 -11.107 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.181 -14.558 -10.860 1.00 25.00 H new ATOM 631 N GLY A 41 16.583 -9.084 -12.930 1.00 25.00 N ATOM 632 CA GLY A 41 17.980 -9.297 -13.167 1.00 25.00 C ATOM 633 C GLY A 41 18.239 -10.504 -14.065 1.00 25.00 C ATOM 634 O GLY A 41 19.302 -10.639 -14.631 1.00 25.00 O ATOM 0 H GLY A 41 16.157 -8.395 -13.550 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.408 -8.406 -13.627 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.490 -9.440 -12.214 1.00 25.00 H new ATOM 638 N LEU A 42 17.242 -11.356 -14.191 1.00 25.00 N ATOM 639 CA LEU A 42 17.293 -12.465 -15.149 1.00 25.00 C ATOM 640 C LEU A 42 17.467 -11.918 -16.553 1.00 25.00 C ATOM 641 O LEU A 42 16.678 -11.086 -17.001 1.00 25.00 O ATOM 642 CB LEU A 42 16.000 -13.319 -15.119 1.00 25.00 C ATOM 643 CG LEU A 42 15.673 -14.117 -13.844 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.261 -14.786 -13.975 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.699 -15.194 -13.610 1.00 25.00 C ATOM 0 H LEU A 42 16.381 -11.310 -13.646 1.00 25.00 H new ATOM 0 HA LEU A 42 18.135 -13.097 -14.867 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.160 -12.654 -15.318 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.051 -14.025 -15.948 1.00 25.00 H new ATOM 0 HG LEU A 42 15.680 -13.424 -13.003 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.039 -15.348 -13.068 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.505 -14.014 -14.118 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.256 -15.461 -14.831 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.448 -15.745 -12.704 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.709 -15.877 -14.459 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.684 -14.740 -13.497 1.00 25.00 H new ATOM 657 N ASP A 43 18.479 -12.406 -17.261 1.00 25.00 N ATOM 658 CA ASP A 43 18.749 -11.962 -18.608 1.00 25.00 C ATOM 659 C ASP A 43 17.607 -12.261 -19.568 1.00 25.00 C ATOM 660 O ASP A 43 17.146 -13.414 -19.732 1.00 25.00 O ATOM 661 CB ASP A 43 20.044 -12.614 -19.124 1.00 25.00 C ATOM 662 CG ASP A 43 21.270 -11.825 -18.770 1.00 25.00 C ATOM 663 OD1 ASP A 43 22.101 -12.355 -17.999 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.438 -10.716 -19.329 1.00 25.00 O ATOM 0 H ASP A 43 19.126 -13.114 -16.914 1.00 25.00 H new ATOM 0 HA ASP A 43 18.861 -10.878 -18.569 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.131 -13.618 -18.709 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.986 -12.721 -20.207 1.00 25.00 H new ATOM 669 N GLY A 44 17.149 -11.188 -20.199 1.00 25.00 N ATOM 670 CA GLY A 44 16.096 -11.294 -21.211 1.00 25.00 C ATOM 671 C GLY A 44 14.694 -11.571 -20.747 1.00 25.00 C ATOM 672 O GLY A 44 13.849 -11.940 -21.579 1.00 25.00 O ATOM 0 H GLY A 44 17.484 -10.239 -20.033 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.082 -10.362 -21.777 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.380 -12.085 -21.906 1.00 25.00 H new ATOM 676 N TRP A 45 14.400 -11.419 -19.452 1.00 25.00 N ATOM 677 CA TRP A 45 13.027 -11.647 -18.942 1.00 25.00 C ATOM 678 C TRP A 45 12.392 -10.321 -18.665 1.00 25.00 C ATOM 679 O TRP A 45 12.959 -9.474 -17.987 1.00 25.00 O ATOM 680 CB TRP A 45 13.026 -12.503 -17.665 1.00 25.00 C ATOM 681 CG TRP A 45 13.160 -13.983 -17.967 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.301 -14.640 -18.307 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.104 -14.993 -17.962 1.00 25.00 C ATOM 684 NE1 TRP A 45 14.076 -15.987 -18.469 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.731 -16.239 -18.277 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.729 -15.001 -17.671 1.00 25.00 C ATOM 687 CZ2 TRP A 45 12.032 -17.461 -18.338 1.00 25.00 C ATOM 688 CZ3 TRP A 45 10.012 -16.249 -17.681 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.697 -17.461 -18.025 1.00 25.00 C ATOM 0 H TRP A 45 15.077 -11.144 -18.740 1.00 25.00 H new ATOM 0 HA TRP A 45 12.462 -12.192 -19.699 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.846 -12.190 -17.019 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.102 -12.329 -17.114 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.262 -14.164 -18.434 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.785 -16.685 -18.694 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.215 -14.079 -17.442 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.534 -18.373 -18.624 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.962 -16.273 -17.430 1.00 25.00 H new ATOM 0 HH2 TRP A 45 10.150 -18.392 -18.038 1.00 25.00 H new ATOM 700 N TRP A 46 11.300 -10.050 -19.355 1.00 25.00 N ATOM 701 CA TRP A 46 10.725 -8.738 -19.353 1.00 25.00 C ATOM 702 C TRP A 46 9.448 -8.685 -18.515 1.00 25.00 C ATOM 703 O TRP A 46 8.607 -9.570 -18.644 1.00 25.00 O ATOM 704 CB TRP A 46 10.410 -8.311 -20.792 1.00 25.00 C ATOM 705 CG TRP A 46 11.606 -8.330 -21.771 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.911 -8.549 -21.502 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.529 -8.170 -23.200 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.677 -8.503 -22.640 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.881 -8.256 -23.704 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.494 -7.948 -24.099 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.177 -8.148 -25.092 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.783 -7.809 -25.491 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.137 -7.903 -25.956 1.00 25.00 C ATOM 0 H TRP A 46 10.798 -10.732 -19.924 1.00 25.00 H new ATOM 0 HA TRP A 46 11.450 -8.055 -18.910 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.632 -8.966 -21.184 1.00 25.00 H new ATOM 0 HB3 TRP A 46 9.997 -7.303 -20.771 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.304 -8.737 -20.514 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.688 -8.635 -22.677 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.475 -7.881 -23.747 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.188 -8.255 -25.455 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 9.982 -7.633 -26.194 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.343 -7.778 -27.009 1.00 25.00 H new ATOM 724 N LEU A 47 9.227 -7.594 -17.807 1.00 25.00 N ATOM 725 CA LEU A 47 7.939 -7.367 -17.120 1.00 25.00 C ATOM 726 C LEU A 47 6.913 -6.798 -18.126 1.00 25.00 C ATOM 727 O LEU A 47 7.116 -5.736 -18.699 1.00 25.00 O ATOM 728 CB LEU A 47 8.081 -6.322 -16.006 1.00 25.00 C ATOM 729 CG LEU A 47 6.838 -6.016 -15.156 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.358 -7.302 -14.413 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.128 -4.975 -14.157 1.00 25.00 C ATOM 0 H LEU A 47 9.909 -6.846 -17.684 1.00 25.00 H new ATOM 0 HA LEU A 47 7.618 -8.322 -16.704 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.874 -6.652 -15.335 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.415 -5.389 -16.461 1.00 25.00 H new ATOM 0 HG LEU A 47 6.057 -5.663 -15.829 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.477 -7.069 -13.815 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.108 -8.072 -15.143 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.153 -7.664 -13.761 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.233 -4.776 -13.568 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.927 -5.315 -13.499 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.439 -4.061 -14.663 1.00 25.00 H new ATOM 743 N CYS A 48 5.808 -7.500 -18.317 1.00 25.00 N ATOM 744 CA CYS A 48 4.792 -7.059 -19.253 1.00 25.00 C ATOM 745 C CYS A 48 3.422 -6.966 -18.629 1.00 25.00 C ATOM 746 O CYS A 48 3.197 -7.522 -17.565 1.00 25.00 O ATOM 747 CB CYS A 48 4.733 -8.029 -20.417 1.00 25.00 C ATOM 748 SG CYS A 48 6.379 -8.361 -21.183 1.00 25.00 S ATOM 0 H CYS A 48 5.594 -8.374 -17.837 1.00 25.00 H new ATOM 0 HA CYS A 48 5.072 -6.059 -19.584 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.304 -8.971 -20.074 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.061 -7.631 -21.177 1.00 25.00 H new ATOM 0 HG CYS A 48 7.194 -8.819 -20.279 1.00 25.00 H new ATOM 754 N SER A 49 2.542 -6.220 -19.265 1.00 25.00 N ATOM 755 CA SER A 49 1.166 -6.143 -18.822 1.00 25.00 C ATOM 756 C SER A 49 0.224 -6.615 -19.911 1.00 25.00 C ATOM 757 O SER A 49 0.393 -6.291 -21.075 1.00 25.00 O ATOM 758 CB SER A 49 0.856 -4.718 -18.383 1.00 25.00 C ATOM 759 OG SER A 49 -0.373 -4.695 -17.671 1.00 25.00 O ATOM 0 H SER A 49 2.755 -5.659 -20.090 1.00 25.00 H new ATOM 0 HA SER A 49 1.021 -6.805 -17.968 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.660 -4.338 -17.753 1.00 25.00 H new ATOM 0 HB3 SER A 49 0.796 -4.064 -19.253 1.00 25.00 H new ATOM 0 HG SER A 49 -0.504 -5.554 -17.217 1.00 25.00 H new ATOM 765 N LEU A 50 -0.738 -7.426 -19.508 1.00 25.00 N ATOM 766 CA LEU A 50 -1.784 -7.964 -20.410 1.00 25.00 C ATOM 767 C LEU A 50 -3.052 -8.194 -19.545 1.00 25.00 C ATOM 768 O LEU A 50 -2.969 -8.660 -18.405 1.00 25.00 O ATOM 769 CB LEU A 50 -1.313 -9.291 -21.009 1.00 25.00 C ATOM 770 CG LEU A 50 -2.241 -9.987 -22.008 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.493 -9.069 -23.228 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.705 -11.339 -22.443 1.00 25.00 C ATOM 0 H LEU A 50 -0.831 -7.742 -18.543 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.992 -7.275 -21.228 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.358 -9.116 -21.504 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -1.125 -9.982 -20.188 1.00 25.00 H new ATOM 0 HG LEU A 50 -3.190 -10.174 -21.505 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.154 -9.573 -23.933 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.958 -8.141 -22.895 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.545 -8.845 -23.717 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.397 -11.794 -23.151 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.733 -11.209 -22.918 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.600 -11.986 -21.572 1.00 25.00 H new ATOM 784 N HIS A 51 -4.216 -7.821 -20.071 1.00 25.00 N ATOM 785 CA HIS A 51 -5.520 -7.974 -19.378 1.00 25.00 C ATOM 786 C HIS A 51 -5.574 -7.251 -17.989 1.00 25.00 C ATOM 787 O HIS A 51 -6.247 -7.734 -17.083 1.00 25.00 O ATOM 788 CB HIS A 51 -5.875 -9.465 -19.184 1.00 25.00 C ATOM 789 CG HIS A 51 -6.230 -10.145 -20.452 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.090 -11.221 -20.527 1.00 25.00 N ATOM 791 CD2 HIS A 51 -5.858 -9.905 -21.720 1.00 25.00 C ATOM 792 CE1 HIS A 51 -7.202 -11.557 -21.796 1.00 25.00 C ATOM 793 NE2 HIS A 51 -6.494 -10.777 -22.562 1.00 25.00 N ATOM 0 H HIS A 51 -4.296 -7.400 -20.996 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.253 -7.496 -20.028 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.028 -9.978 -18.728 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -6.710 -9.547 -18.488 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -5.162 -9.139 -22.029 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -7.806 -12.377 -22.156 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -6.427 -10.809 -23.579 1.00 25.00 H new ATOM 801 N GLY A 52 -4.837 -6.144 -17.849 1.00 25.00 N ATOM 802 CA GLY A 52 -4.763 -5.478 -16.555 1.00 25.00 C ATOM 803 C GLY A 52 -3.926 -6.146 -15.476 1.00 25.00 C ATOM 804 O GLY A 52 -3.972 -5.747 -14.320 1.00 25.00 O ATOM 0 H GLY A 52 -4.299 -5.704 -18.596 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.370 -4.474 -16.714 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.778 -5.366 -16.174 1.00 25.00 H new ATOM 808 N ARG A 53 -3.174 -7.172 -15.834 1.00 25.00 N ATOM 809 CA ARG A 53 -2.261 -7.892 -14.898 1.00 25.00 C ATOM 810 C ARG A 53 -0.841 -7.569 -15.298 1.00 25.00 C ATOM 811 O ARG A 53 -0.578 -7.277 -16.472 1.00 25.00 O ATOM 812 CB ARG A 53 -2.467 -9.391 -15.069 1.00 25.00 C ATOM 813 CG ARG A 53 -3.914 -9.841 -14.830 1.00 25.00 C ATOM 814 CD ARG A 53 -4.009 -11.354 -14.758 1.00 25.00 C ATOM 815 NE ARG A 53 -3.452 -11.900 -13.522 1.00 25.00 N ATOM 816 CZ ARG A 53 -3.344 -13.185 -13.213 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.732 -14.123 -14.007 1.00 25.00 N ATOM 818 NH2 ARG A 53 -2.855 -13.500 -12.054 1.00 25.00 N ATOM 0 H ARG A 53 -3.163 -7.548 -16.782 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.459 -7.596 -13.868 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.167 -9.678 -16.077 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.811 -9.921 -14.378 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.285 -9.405 -13.902 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.551 -9.471 -15.633 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -5.054 -11.652 -14.842 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.484 -11.787 -15.610 1.00 25.00 H new ATOM 0 HE ARG A 53 -3.114 -11.229 -12.832 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -4.140 -13.889 -14.912 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -3.631 -15.100 -13.731 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -2.565 -12.767 -11.407 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -2.760 -14.481 -11.790 1.00 25.00 H new ATOM 832 N GLN A 54 0.127 -7.726 -14.409 1.00 25.00 N ATOM 833 CA GLN A 54 1.521 -7.598 -14.793 1.00 25.00 C ATOM 834 C GLN A 54 2.231 -8.878 -14.414 1.00 25.00 C ATOM 835 O GLN A 54 1.864 -9.483 -13.409 1.00 25.00 O ATOM 836 CB GLN A 54 2.178 -6.409 -14.078 1.00 25.00 C ATOM 837 CG GLN A 54 1.528 -5.086 -14.448 1.00 25.00 C ATOM 838 CD GLN A 54 0.508 -4.633 -13.413 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.643 -5.048 -13.411 1.00 25.00 O ATOM 840 NE2 GLN A 54 0.916 -3.736 -12.552 1.00 25.00 N ATOM 0 H GLN A 54 -0.026 -7.941 -13.424 1.00 25.00 H new ATOM 0 HA GLN A 54 1.590 -7.423 -15.867 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.113 -6.555 -13.000 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.237 -6.375 -14.332 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.299 -4.322 -14.554 1.00 25.00 H new ATOM 0 HG3 GLN A 54 1.040 -5.182 -15.418 1.00 25.00 H new ATOM 0 HE21 GLN A 54 1.881 -3.408 -12.576 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.269 -3.365 -11.856 1.00 25.00 H new ATOM 849 N GLY A 55 3.183 -9.319 -15.261 1.00 25.00 N ATOM 850 CA GLY A 55 3.961 -10.510 -14.966 1.00 25.00 C ATOM 851 C GLY A 55 5.114 -10.644 -15.902 1.00 25.00 C ATOM 852 O GLY A 55 5.167 -9.975 -16.908 1.00 25.00 O ATOM 0 H GLY A 55 3.420 -8.864 -16.143 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.325 -10.465 -13.940 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.324 -11.392 -15.040 1.00 25.00 H new ATOM 856 N ILE A 56 6.084 -11.440 -15.514 1.00 25.00 N ATOM 857 CA ILE A 56 7.299 -11.588 -16.299 1.00 25.00 C ATOM 858 C ILE A 56 7.005 -12.509 -17.495 1.00 25.00 C ATOM 859 O ILE A 56 6.102 -13.343 -17.481 1.00 25.00 O ATOM 860 CB ILE A 56 8.460 -12.179 -15.386 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.213 -13.667 -15.011 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.685 -11.245 -14.160 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.355 -14.400 -14.300 1.00 25.00 C ATOM 0 H ILE A 56 6.060 -11.997 -14.660 1.00 25.00 H new ATOM 0 HA ILE A 56 7.630 -10.619 -16.674 1.00 25.00 H new ATOM 0 HB ILE A 56 9.390 -12.196 -15.954 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.330 -13.714 -14.373 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.976 -14.213 -15.924 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.481 -11.650 -13.535 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.967 -10.251 -14.507 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.765 -11.179 -13.579 1.00 25.00 H new ATOM 0 HD11 ILE A 56 9.056 -15.428 -14.095 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.240 -14.400 -14.937 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.584 -13.894 -13.362 1.00 25.00 H new ATOM 875 N VAL A 57 7.727 -12.255 -18.568 1.00 25.00 N ATOM 876 CA VAL A 57 7.529 -12.982 -19.792 1.00 25.00 C ATOM 877 C VAL A 57 8.890 -13.124 -20.455 1.00 25.00 C ATOM 878 O VAL A 57 9.611 -12.132 -20.516 1.00 25.00 O ATOM 879 CB VAL A 57 6.681 -12.173 -20.810 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.638 -12.887 -22.188 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.228 -12.022 -20.320 1.00 25.00 C ATOM 0 H VAL A 57 8.458 -11.545 -18.610 1.00 25.00 H new ATOM 0 HA VAL A 57 7.038 -13.924 -19.550 1.00 25.00 H new ATOM 0 HB VAL A 57 7.151 -11.194 -20.906 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.038 -12.300 -22.883 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.651 -12.987 -22.578 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.195 -13.876 -22.072 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.655 -11.452 -21.051 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.781 -13.009 -20.198 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.219 -11.499 -19.364 1.00 25.00 H new ATOM 891 N PRO A 58 9.270 -14.314 -20.971 1.00 25.00 N ATOM 892 CA PRO A 58 10.586 -14.377 -21.608 1.00 25.00 C ATOM 893 C PRO A 58 10.656 -13.598 -22.911 1.00 25.00 C ATOM 894 O PRO A 58 9.908 -13.796 -23.857 1.00 25.00 O ATOM 895 CB PRO A 58 10.805 -15.869 -21.807 1.00 25.00 C ATOM 896 CG PRO A 58 9.447 -16.471 -21.863 1.00 25.00 C ATOM 897 CD PRO A 58 8.570 -15.606 -21.022 1.00 25.00 C ATOM 0 HA PRO A 58 11.363 -13.911 -21.002 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.358 -16.064 -22.726 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.387 -16.292 -20.988 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.082 -16.513 -22.889 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.460 -17.494 -21.487 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.577 -15.503 -21.459 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.437 -16.025 -20.025 1.00 25.00 H new ATOM 905 N GLY A 59 11.553 -12.614 -22.909 1.00 25.00 N ATOM 906 CA GLY A 59 11.714 -11.731 -24.058 1.00 25.00 C ATOM 907 C GLY A 59 12.135 -12.368 -25.371 1.00 25.00 C ATOM 908 O GLY A 59 11.826 -11.860 -26.411 1.00 25.00 O ATOM 0 H GLY A 59 12.176 -12.410 -22.128 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.768 -11.214 -24.222 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.452 -10.972 -23.799 1.00 25.00 H new ATOM 912 N ASN A 60 12.793 -13.533 -25.324 1.00 25.00 N ATOM 913 CA ASN A 60 13.207 -14.228 -26.582 1.00 25.00 C ATOM 914 C ASN A 60 11.958 -14.800 -27.295 1.00 25.00 C ATOM 915 O ASN A 60 11.996 -15.163 -28.499 1.00 25.00 O ATOM 916 CB ASN A 60 14.170 -15.388 -26.251 1.00 25.00 C ATOM 917 CG ASN A 60 15.145 -15.695 -27.438 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.070 -15.122 -28.520 1.00 25.00 O ATOM 919 ND2 ASN A 60 16.090 -16.574 -27.189 1.00 25.00 N ATOM 0 H ASN A 60 13.051 -14.015 -24.463 1.00 25.00 H new ATOM 0 HA ASN A 60 13.709 -13.511 -27.232 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.748 -15.137 -25.362 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.593 -16.282 -26.014 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.783 -16.794 -27.904 1.00 25.00 H new ATOM 0 HD22 ASN A 60 16.130 -17.036 -26.281 1.00 25.00 H new ATOM 926 N ARG A 61 10.840 -14.899 -26.578 1.00 25.00 N ATOM 927 CA ARG A 61 9.571 -15.405 -27.195 1.00 25.00 C ATOM 928 C ARG A 61 8.700 -14.258 -27.691 1.00 25.00 C ATOM 929 O ARG A 61 7.522 -14.416 -27.991 1.00 25.00 O ATOM 930 CB ARG A 61 8.818 -16.227 -26.136 1.00 25.00 C ATOM 931 CG ARG A 61 9.580 -17.582 -25.772 1.00 25.00 C ATOM 932 CD ARG A 61 8.616 -18.625 -25.186 1.00 25.00 C ATOM 933 NE ARG A 61 9.264 -19.914 -24.916 1.00 25.00 N ATOM 934 CZ ARG A 61 8.648 -21.058 -24.635 1.00 25.00 C ATOM 935 NH1 ARG A 61 7.345 -21.140 -24.602 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.357 -22.129 -24.424 1.00 25.00 N ATOM 0 H ARG A 61 10.765 -14.648 -25.592 1.00 25.00 H new ATOM 0 HA ARG A 61 9.811 -16.025 -28.059 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.694 -15.628 -25.234 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.819 -16.461 -26.503 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.056 -17.985 -26.666 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.374 -17.374 -25.055 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.189 -18.238 -24.261 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.789 -18.778 -25.879 1.00 25.00 H new ATOM 0 HE ARG A 61 10.283 -19.934 -24.947 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.777 -20.315 -24.794 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.895 -22.029 -24.384 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.375 -22.085 -24.475 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.895 -23.012 -24.208 1.00 25.00 H new ATOM 950 N LEU A 62 9.263 -13.052 -27.687 1.00 25.00 N ATOM 951 CA LEU A 62 8.526 -11.856 -28.072 1.00 25.00 C ATOM 952 C LEU A 62 9.236 -11.116 -29.175 1.00 25.00 C ATOM 953 O LEU A 62 10.458 -11.132 -29.273 1.00 25.00 O ATOM 954 CB LEU A 62 8.447 -10.880 -26.900 1.00 25.00 C ATOM 955 CG LEU A 62 7.702 -11.262 -25.607 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.843 -10.176 -24.524 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.231 -11.487 -25.923 1.00 25.00 C ATOM 0 H LEU A 62 10.232 -12.879 -27.420 1.00 25.00 H new ATOM 0 HA LEU A 62 7.538 -12.186 -28.392 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.471 -10.633 -26.619 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.989 -9.965 -27.275 1.00 25.00 H new ATOM 0 HG LEU A 62 8.147 -12.177 -25.216 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.304 -10.483 -23.628 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.897 -10.037 -24.283 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.428 -9.238 -24.893 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.700 -11.758 -25.010 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.803 -10.573 -26.334 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.134 -12.292 -26.651 1.00 25.00 H new ATOM 969 N LYS A 63 8.441 -10.486 -30.018 1.00 25.00 N ATOM 970 CA LYS A 63 8.960 -9.646 -31.096 1.00 25.00 C ATOM 971 C LYS A 63 8.500 -8.199 -30.840 1.00 25.00 C ATOM 972 O LYS A 63 7.301 -7.957 -30.709 1.00 25.00 O ATOM 973 CB LYS A 63 8.453 -10.155 -32.412 1.00 25.00 C ATOM 974 CG LYS A 63 8.946 -9.325 -33.633 1.00 25.00 C ATOM 975 CD LYS A 63 8.414 -9.870 -34.955 1.00 25.00 C ATOM 976 CE LYS A 63 8.866 -8.967 -36.124 1.00 25.00 C ATOM 977 NZ LYS A 63 8.185 -9.370 -37.430 1.00 25.00 N ATOM 0 H LYS A 63 7.423 -10.537 -29.981 1.00 25.00 H new ATOM 0 HA LYS A 63 10.049 -9.674 -31.124 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.768 -11.191 -32.537 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.363 -10.152 -32.398 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.630 -8.288 -33.516 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.036 -9.326 -33.654 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.776 -10.886 -35.110 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.326 -9.920 -34.924 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.632 -7.927 -35.895 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.948 -9.032 -36.240 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 8.508 -8.746 -38.197 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 8.429 -10.355 -37.659 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 7.154 -9.284 -37.325 1.00 25.00 H new ATOM 991 N ILE A 64 9.412 -7.251 -30.787 1.00 25.00 N ATOM 992 CA ILE A 64 9.051 -5.843 -30.604 1.00 25.00 C ATOM 993 C ILE A 64 8.208 -5.339 -31.772 1.00 25.00 C ATOM 994 O ILE A 64 8.508 -5.595 -32.924 1.00 25.00 O ATOM 995 CB ILE A 64 10.320 -4.899 -30.425 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.139 -5.350 -29.193 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.949 -3.410 -30.275 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.526 -5.101 -27.774 1.00 25.00 C ATOM 0 H ILE A 64 10.414 -7.421 -30.867 1.00 25.00 H new ATOM 0 HA ILE A 64 8.469 -5.798 -29.683 1.00 25.00 H new ATOM 0 HB ILE A 64 10.912 -4.993 -31.335 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.330 -6.419 -29.292 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.106 -4.848 -29.232 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.857 -2.819 -30.157 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.413 -3.077 -31.164 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.314 -3.280 -29.398 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.213 -5.469 -27.011 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.363 -4.033 -27.630 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.575 -5.628 -27.691 1.00 25.00 H new ATOM 1010 N LEU A 65 7.073 -4.697 -31.460 1.00 25.00 N ATOM 1011 CA LEU A 65 6.139 -4.128 -32.471 1.00 25.00 C ATOM 1012 C LEU A 65 6.156 -2.609 -32.380 1.00 25.00 C ATOM 1013 O LEU A 65 6.016 -2.045 -31.275 1.00 25.00 O ATOM 1014 CB LEU A 65 4.707 -4.689 -32.251 1.00 25.00 C ATOM 1015 CG LEU A 65 3.567 -4.178 -33.176 1.00 25.00 C ATOM 1016 CD1 LEU A 65 3.802 -4.608 -34.636 1.00 25.00 C ATOM 1017 CD2 LEU A 65 2.214 -4.795 -32.703 1.00 25.00 C ATOM 0 H LEU A 65 6.766 -4.552 -30.498 1.00 25.00 H new ATOM 0 HA LEU A 65 6.461 -4.418 -33.471 1.00 25.00 H new ATOM 0 HB2 LEU A 65 4.755 -5.773 -32.351 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.421 -4.476 -31.221 1.00 25.00 H new ATOM 0 HG LEU A 65 3.546 -3.090 -33.122 1.00 25.00 H new ATOM 0 HD11 LEU A 65 2.989 -4.237 -35.260 1.00 25.00 H new ATOM 0 HD12 LEU A 65 4.748 -4.196 -34.989 1.00 25.00 H new ATOM 0 HD13 LEU A 65 3.836 -5.696 -34.694 1.00 25.00 H new ATOM 0 HD21 LEU A 65 1.408 -4.442 -33.347 1.00 25.00 H new ATOM 0 HD22 LEU A 65 2.271 -5.882 -32.757 1.00 25.00 H new ATOM 0 HD23 LEU A 65 2.016 -4.493 -31.675 1.00 25.00 H new ATOM 1029 N VAL A 66 6.431 -1.941 -33.502 1.00 25.00 N ATOM 1030 CA VAL A 66 6.575 -0.476 -33.513 1.00 25.00 C ATOM 1031 C VAL A 66 5.538 0.142 -34.377 1.00 25.00 C ATOM 1032 O VAL A 66 5.398 -0.199 -35.556 1.00 25.00 O ATOM 1033 CB VAL A 66 7.956 -0.138 -34.007 1.00 25.00 C ATOM 1034 CG1 VAL A 66 8.178 1.361 -33.988 1.00 25.00 C ATOM 1035 CG2 VAL A 66 9.038 -0.827 -33.100 1.00 25.00 C ATOM 0 H VAL A 66 6.559 -2.384 -34.412 1.00 25.00 H new ATOM 0 HA VAL A 66 6.440 -0.081 -32.506 1.00 25.00 H new ATOM 0 HB VAL A 66 8.048 -0.501 -35.031 1.00 25.00 H new ATOM 0 HG11 VAL A 66 9.182 1.585 -34.349 1.00 25.00 H new ATOM 0 HG12 VAL A 66 7.445 1.846 -34.632 1.00 25.00 H new ATOM 0 HG13 VAL A 66 8.067 1.732 -32.969 1.00 25.00 H new ATOM 0 HG21 VAL A 66 10.033 -0.576 -33.466 1.00 25.00 H new ATOM 0 HG22 VAL A 66 8.930 -0.476 -32.074 1.00 25.00 H new ATOM 0 HG23 VAL A 66 8.903 -1.908 -33.130 1.00 25.00 H new ATOM 1045 N GLY A 67 4.789 1.070 -33.780 1.00 25.00 N ATOM 1046 CA GLY A 67 3.616 1.594 -34.475 1.00 25.00 C ATOM 1047 C GLY A 67 2.879 2.628 -33.642 1.00 25.00 C ATOM 1048 O GLY A 67 1.732 2.452 -33.343 1.00 25.00 O ATOM 0 H GLY A 67 4.964 1.461 -32.854 1.00 25.00 H new ATOM 0 HA2 GLY A 67 3.924 2.042 -35.420 1.00 25.00 H new ATOM 0 HA3 GLY A 67 2.940 0.773 -34.716 1.00 25.00 H new ATOM 1052 N MET A 68 3.554 3.671 -33.189 1.00 25.00 N ATOM 1053 CA MET A 68 2.900 4.619 -32.292 1.00 25.00 C ATOM 1054 C MET A 68 3.226 6.044 -32.735 1.00 25.00 C ATOM 1055 O MET A 68 4.242 6.323 -33.321 1.00 25.00 O ATOM 1056 CB MET A 68 3.400 4.357 -30.847 1.00 25.00 C ATOM 1057 CG MET A 68 2.555 4.991 -29.812 1.00 25.00 C ATOM 1058 SD MET A 68 0.901 4.347 -29.726 1.00 25.00 S ATOM 1059 CE MET A 68 0.227 5.478 -28.641 1.00 25.00 C ATOM 0 H MET A 68 4.525 3.883 -33.416 1.00 25.00 H new ATOM 0 HA MET A 68 1.818 4.493 -32.322 1.00 25.00 H new ATOM 0 HB2 MET A 68 3.433 3.282 -30.671 1.00 25.00 H new ATOM 0 HB3 MET A 68 4.421 4.728 -30.750 1.00 25.00 H new ATOM 0 HG2 MET A 68 3.033 4.864 -28.841 1.00 25.00 H new ATOM 0 HG3 MET A 68 2.506 6.063 -30.005 1.00 25.00 H new ATOM 0 HE1 MET A 68 -0.820 5.233 -28.464 1.00 25.00 H new ATOM 0 HE2 MET A 68 0.772 5.446 -27.697 1.00 25.00 H new ATOM 0 HE3 MET A 68 0.298 6.479 -29.068 1.00 25.00 H new ATOM 1069 N TYR A 69 2.313 6.946 -32.407 1.00 25.00 N ATOM 1070 CA TYR A 69 2.451 8.380 -32.727 1.00 25.00 C ATOM 1071 C TYR A 69 3.455 8.973 -31.723 1.00 25.00 C ATOM 1072 O TYR A 69 3.445 8.593 -30.545 1.00 25.00 O ATOM 1073 CB TYR A 69 1.077 9.081 -32.557 1.00 25.00 C ATOM 1074 CG TYR A 69 0.051 8.590 -33.535 1.00 25.00 C ATOM 1075 CD1 TYR A 69 0.033 9.087 -34.835 1.00 25.00 C ATOM 1076 CD2 TYR A 69 -0.945 7.676 -33.136 1.00 25.00 C ATOM 1077 CE1 TYR A 69 -0.964 8.615 -35.798 1.00 25.00 C ATOM 1078 CE2 TYR A 69 -1.939 7.231 -34.081 1.00 25.00 C ATOM 1079 CZ TYR A 69 -1.936 7.717 -35.397 1.00 25.00 C ATOM 1080 OH TYR A 69 -2.859 7.237 -36.268 1.00 25.00 O ATOM 0 H TYR A 69 1.452 6.716 -31.911 1.00 25.00 H new ATOM 0 HA TYR A 69 2.793 8.521 -33.752 1.00 25.00 H new ATOM 0 HB2 TYR A 69 0.713 8.917 -31.543 1.00 25.00 H new ATOM 0 HB3 TYR A 69 1.205 10.156 -32.680 1.00 25.00 H new ATOM 0 HD1 TYR A 69 0.760 9.827 -35.136 1.00 25.00 H new ATOM 0 HD2 TYR A 69 -0.964 7.308 -32.121 1.00 25.00 H new ATOM 0 HE1 TYR A 69 -0.940 8.967 -36.819 1.00 25.00 H new ATOM 0 HE2 TYR A 69 -2.691 6.519 -33.774 1.00 25.00 H new ATOM 0 HH TYR A 69 -3.458 6.617 -35.802 1.00 25.00 H new ATOM 1090 N ASP A 70 4.290 9.918 -32.155 1.00 25.00 N ATOM 1091 CA ASP A 70 5.319 10.478 -31.260 1.00 25.00 C ATOM 1092 C ASP A 70 4.720 11.337 -30.117 1.00 25.00 C ATOM 1093 O ASP A 70 5.254 11.311 -29.003 1.00 25.00 O ATOM 1094 CB ASP A 70 6.251 11.335 -32.112 1.00 25.00 C ATOM 1095 CG ASP A 70 7.082 10.454 -33.107 1.00 25.00 C ATOM 1096 OD1 ASP A 70 8.314 10.340 -32.921 1.00 25.00 O ATOM 1097 OD2 ASP A 70 6.485 9.937 -34.069 1.00 25.00 O ATOM 0 H ASP A 70 4.281 10.309 -33.097 1.00 25.00 H new ATOM 0 HA ASP A 70 5.849 9.655 -30.781 1.00 25.00 H new ATOM 0 HB2 ASP A 70 5.667 12.066 -32.671 1.00 25.00 H new ATOM 0 HB3 ASP A 70 6.927 11.894 -31.465 1.00 25.00 H new ATOM 1102 N LYS A 71 3.685 12.084 -30.410 1.00 25.00 N ATOM 1103 CA LYS A 71 2.999 12.992 -29.422 1.00 25.00 C ATOM 1104 C LYS A 71 3.985 13.751 -28.496 1.00 25.00 C ATOM 1105 O LYS A 71 3.858 13.689 -27.271 1.00 25.00 O ATOM 1106 CB LYS A 71 1.978 12.186 -28.610 1.00 25.00 C ATOM 1107 CG LYS A 71 0.806 11.650 -29.397 1.00 25.00 C ATOM 1108 CD LYS A 71 -0.131 12.731 -29.864 1.00 25.00 C ATOM 1109 CE LYS A 71 -1.372 12.221 -30.573 1.00 25.00 C ATOM 1110 NZ LYS A 71 -2.315 11.551 -29.643 1.00 25.00 N ATOM 0 H LYS A 71 3.264 12.105 -31.339 1.00 25.00 H new ATOM 0 HA LYS A 71 2.484 13.765 -29.992 1.00 25.00 H new ATOM 0 HB2 LYS A 71 2.493 11.348 -28.140 1.00 25.00 H new ATOM 0 HB3 LYS A 71 1.597 12.817 -27.807 1.00 25.00 H new ATOM 0 HG2 LYS A 71 1.177 11.100 -30.262 1.00 25.00 H new ATOM 0 HG3 LYS A 71 0.255 10.940 -28.780 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -0.437 13.326 -29.004 1.00 25.00 H new ATOM 0 HD3 LYS A 71 0.409 13.398 -30.537 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -1.877 13.054 -31.062 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -1.079 11.522 -31.356 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -3.155 11.234 -30.169 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -1.849 10.730 -29.208 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -2.603 12.219 -28.900 1.00 25.00 H new ATOM 1124 N LYS A 72 4.935 14.476 -29.057 1.00 25.00 N ATOM 1125 CA LYS A 72 5.819 15.294 -28.244 1.00 25.00 C ATOM 1126 C LYS A 72 4.999 16.441 -27.641 1.00 25.00 C ATOM 1127 O LYS A 72 4.063 16.911 -28.306 1.00 25.00 O ATOM 1128 CB LYS A 72 6.928 15.895 -29.144 1.00 25.00 C ATOM 1129 CG LYS A 72 7.875 14.766 -29.613 1.00 25.00 C ATOM 1130 CD LYS A 72 8.399 14.983 -31.074 1.00 25.00 C ATOM 1131 CE LYS A 72 9.421 16.144 -31.150 1.00 25.00 C ATOM 1132 NZ LYS A 72 10.097 16.244 -32.451 1.00 25.00 N ATOM 0 H LYS A 72 5.114 14.516 -30.060 1.00 25.00 H new ATOM 0 HA LYS A 72 6.270 14.690 -27.456 1.00 25.00 H new ATOM 0 HB2 LYS A 72 6.483 16.393 -30.005 1.00 25.00 H new ATOM 0 HB3 LYS A 72 7.489 16.650 -28.594 1.00 25.00 H new ATOM 0 HG2 LYS A 72 8.724 14.704 -28.932 1.00 25.00 H new ATOM 0 HG3 LYS A 72 7.351 13.812 -29.557 1.00 25.00 H new ATOM 0 HD2 LYS A 72 8.864 14.065 -31.434 1.00 25.00 H new ATOM 0 HD3 LYS A 72 7.558 15.195 -31.734 1.00 25.00 H new ATOM 0 HE2 LYS A 72 8.908 17.083 -30.942 1.00 25.00 H new ATOM 0 HE3 LYS A 72 10.170 16.010 -30.369 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 10.766 17.040 -32.434 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 10.613 15.362 -32.643 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 9.391 16.401 -33.198 1.00 25.00 H new ATOM 1146 N PRO A 73 5.226 16.771 -26.347 1.00 25.00 N ATOM 1147 CA PRO A 73 4.299 17.725 -25.724 1.00 25.00 C ATOM 1148 C PRO A 73 4.369 19.151 -26.331 1.00 25.00 C ATOM 1149 O PRO A 73 5.418 19.628 -26.724 1.00 25.00 O ATOM 1150 CB PRO A 73 4.736 17.749 -24.259 1.00 25.00 C ATOM 1151 CG PRO A 73 6.153 17.333 -24.286 1.00 25.00 C ATOM 1152 CD PRO A 73 6.266 16.325 -25.395 1.00 25.00 C ATOM 0 HA PRO A 73 3.264 17.418 -25.878 1.00 25.00 H new ATOM 0 HB2 PRO A 73 4.623 18.744 -23.828 1.00 25.00 H new ATOM 0 HB3 PRO A 73 4.135 17.070 -23.655 1.00 25.00 H new ATOM 0 HG2 PRO A 73 6.807 18.186 -24.466 1.00 25.00 H new ATOM 0 HG3 PRO A 73 6.451 16.899 -23.332 1.00 25.00 H new ATOM 0 HD2 PRO A 73 7.258 16.330 -25.847 1.00 25.00 H new ATOM 0 HD3 PRO A 73 6.082 15.311 -25.041 1.00 25.00 H new ATOM 1160 N ALA A 74 3.214 19.818 -26.359 1.00 25.00 N ATOM 1161 CA ALA A 74 3.101 21.197 -26.829 1.00 25.00 C ATOM 1162 C ALA A 74 3.554 22.164 -25.728 1.00 25.00 C ATOM 1163 O ALA A 74 3.661 23.351 -25.971 1.00 25.00 O ATOM 1164 CB ALA A 74 1.600 21.502 -27.229 1.00 25.00 C ATOM 0 H ALA A 74 2.328 19.414 -26.055 1.00 25.00 H new ATOM 0 HA ALA A 74 3.740 21.331 -27.702 1.00 25.00 H new ATOM 0 HB1 ALA A 74 1.519 22.531 -27.579 1.00 25.00 H new ATOM 0 HB2 ALA A 74 1.290 20.823 -28.023 1.00 25.00 H new ATOM 0 HB3 ALA A 74 0.956 21.362 -26.360 1.00 25.00 H new ATOM 1170 N GLY A 75 3.822 21.652 -24.548 1.00 25.00 N ATOM 1171 CA GLY A 75 4.332 22.484 -23.454 1.00 25.00 C ATOM 1172 C GLY A 75 3.780 22.103 -22.097 1.00 25.00 C ATOM 1173 O GLY A 75 4.486 22.117 -21.114 1.00 25.00 O ATOM 0 H GLY A 75 3.700 20.668 -24.310 1.00 25.00 H new ATOM 0 HA2 GLY A 75 5.419 22.410 -23.429 1.00 25.00 H new ATOM 0 HA3 GLY A 75 4.088 23.527 -23.657 1.00 25.00 H new ATOM 1177 N GLU A 76 2.497 21.725 -22.082 1.00 25.00 N ATOM 1178 CA GLU A 76 1.808 21.290 -20.844 1.00 25.00 C ATOM 1179 C GLU A 76 1.940 22.360 -19.729 1.00 25.00 C ATOM 1180 O GLU A 76 2.079 22.032 -18.573 1.00 25.00 O ATOM 1181 CB GLU A 76 2.363 19.921 -20.354 1.00 25.00 C ATOM 1182 CG GLU A 76 2.138 18.769 -21.322 1.00 25.00 C ATOM 1183 CD GLU A 76 2.610 17.396 -20.786 1.00 25.00 C ATOM 1184 OE1 GLU A 76 3.426 17.380 -19.836 1.00 25.00 O ATOM 1185 OE2 GLU A 76 2.271 16.373 -21.423 1.00 25.00 O ATOM 0 H GLU A 76 1.906 21.709 -22.913 1.00 25.00 H new ATOM 0 HA GLU A 76 0.750 21.169 -21.076 1.00 25.00 H new ATOM 0 HB2 GLU A 76 3.433 20.021 -20.170 1.00 25.00 H new ATOM 0 HB3 GLU A 76 1.897 19.674 -19.400 1.00 25.00 H new ATOM 0 HG2 GLU A 76 1.076 18.709 -21.559 1.00 25.00 H new ATOM 0 HG3 GLU A 76 2.661 18.983 -22.254 1.00 25.00 H new ATOM 1192 N PHE A 77 1.998 23.634 -20.114 1.00 25.00 N ATOM 1193 CA PHE A 77 2.241 24.748 -19.170 1.00 25.00 C ATOM 1194 C PHE A 77 0.961 25.165 -18.365 1.00 25.00 C ATOM 1195 O PHE A 77 0.973 26.143 -17.631 1.00 25.00 O ATOM 1196 CB PHE A 77 2.713 25.953 -19.956 1.00 25.00 C ATOM 1197 CG PHE A 77 3.641 26.871 -19.178 1.00 25.00 C ATOM 1198 CD1 PHE A 77 3.117 28.016 -18.480 1.00 25.00 C ATOM 1199 CD2 PHE A 77 5.038 26.605 -19.115 1.00 25.00 C ATOM 1200 CE1 PHE A 77 3.998 28.886 -17.753 1.00 25.00 C ATOM 1201 CE2 PHE A 77 5.910 27.477 -18.357 1.00 25.00 C ATOM 1202 CZ PHE A 77 5.370 28.615 -17.709 1.00 25.00 C ATOM 0 H PHE A 77 1.880 23.933 -21.082 1.00 25.00 H new ATOM 0 HA PHE A 77 2.986 24.404 -18.453 1.00 25.00 H new ATOM 0 HB2 PHE A 77 3.226 25.610 -20.854 1.00 25.00 H new ATOM 0 HB3 PHE A 77 1.844 26.524 -20.284 1.00 25.00 H new ATOM 0 HD1 PHE A 77 2.057 28.221 -18.503 1.00 25.00 H new ATOM 0 HD2 PHE A 77 5.448 25.751 -19.634 1.00 25.00 H new ATOM 0 HE1 PHE A 77 3.602 29.750 -17.240 1.00 25.00 H new ATOM 0 HE2 PHE A 77 6.966 27.261 -18.286 1.00 25.00 H new ATOM 0 HZ PHE A 77 6.027 29.284 -17.173 1.00 25.00 H new ATOM 1212 N ILE A 78 -0.141 24.456 -18.565 1.00 25.00 N ATOM 1213 CA ILE A 78 -1.425 24.788 -17.921 1.00 25.00 C ATOM 1214 C ILE A 78 -1.257 24.486 -16.406 1.00 25.00 C ATOM 1215 O ILE A 78 -0.932 23.333 -16.038 1.00 25.00 O ATOM 1216 CB ILE A 78 -2.615 24.007 -18.514 1.00 25.00 C ATOM 1217 CG1 ILE A 78 -2.767 24.338 -20.000 1.00 25.00 C ATOM 1218 CG2 ILE A 78 -3.899 24.282 -17.680 1.00 25.00 C ATOM 1219 CD1 ILE A 78 -2.344 23.145 -20.935 1.00 25.00 C ATOM 0 H ILE A 78 -0.181 23.638 -19.172 1.00 25.00 H new ATOM 0 HA ILE A 78 -1.660 25.838 -18.095 1.00 25.00 H new ATOM 0 HB ILE A 78 -2.432 22.934 -18.454 1.00 25.00 H new ATOM 0 HG12 ILE A 78 -3.804 24.604 -20.204 1.00 25.00 H new ATOM 0 HG13 ILE A 78 -2.161 25.212 -20.237 1.00 25.00 H new ATOM 0 HG21 ILE A 78 -4.735 23.727 -18.105 1.00 25.00 H new ATOM 0 HG22 ILE A 78 -3.739 23.964 -16.650 1.00 25.00 H new ATOM 0 HG23 ILE A 78 -4.124 25.348 -17.700 1.00 25.00 H new ATOM 0 HD11 ILE A 78 -2.473 23.436 -21.977 1.00 25.00 H new ATOM 0 HD12 ILE A 78 -1.299 22.894 -20.755 1.00 25.00 H new ATOM 0 HD13 ILE A 78 -2.967 22.277 -20.722 1.00 25.00 H new ATOM 1231 N VAL A 79 -1.482 25.540 -15.607 1.00 25.00 N ATOM 1232 CA VAL A 79 -1.414 25.500 -14.125 1.00 25.00 C ATOM 1233 C VAL A 79 -0.078 24.898 -13.670 1.00 25.00 C ATOM 1234 O VAL A 79 -0.019 23.746 -13.324 1.00 25.00 O ATOM 1235 CB VAL A 79 -2.615 24.733 -13.434 1.00 25.00 C ATOM 1236 CG1 VAL A 79 -2.544 24.921 -11.878 1.00 25.00 C ATOM 1237 CG2 VAL A 79 -3.971 25.265 -13.929 1.00 25.00 C ATOM 0 H VAL A 79 -1.721 26.462 -15.971 1.00 25.00 H new ATOM 0 HA VAL A 79 -1.495 26.537 -13.801 1.00 25.00 H new ATOM 0 HB VAL A 79 -2.529 23.678 -13.694 1.00 25.00 H new ATOM 0 HG11 VAL A 79 -3.373 24.391 -11.409 1.00 25.00 H new ATOM 0 HG12 VAL A 79 -1.601 24.521 -11.506 1.00 25.00 H new ATOM 0 HG13 VAL A 79 -2.609 25.982 -11.636 1.00 25.00 H new ATOM 0 HG21 VAL A 79 -4.777 24.720 -13.438 1.00 25.00 H new ATOM 0 HG22 VAL A 79 -4.054 26.326 -13.693 1.00 25.00 H new ATOM 0 HG23 VAL A 79 -4.044 25.127 -15.008 1.00 25.00 H new ATOM 1247 N THR A 80 0.980 25.675 -13.720 1.00 25.00 N ATOM 1248 CA THR A 80 2.297 25.213 -13.271 1.00 25.00 C ATOM 1249 C THR A 80 2.329 24.952 -11.757 1.00 25.00 C ATOM 1250 O THR A 80 1.623 25.598 -10.991 1.00 25.00 O ATOM 1251 CB THR A 80 3.380 26.246 -13.619 1.00 25.00 C ATOM 1252 OG1 THR A 80 3.025 27.522 -13.067 1.00 25.00 O ATOM 1253 CG2 THR A 80 3.501 26.449 -15.126 1.00 25.00 C ATOM 0 H THR A 80 0.966 26.634 -14.066 1.00 25.00 H new ATOM 0 HA THR A 80 2.495 24.275 -13.790 1.00 25.00 H new ATOM 0 HB THR A 80 4.319 25.869 -13.214 1.00 25.00 H new ATOM 0 HG1 THR A 80 3.718 28.179 -13.289 1.00 25.00 H new ATOM 0 HG21 THR A 80 4.277 27.186 -15.333 1.00 25.00 H new ATOM 0 HG22 THR A 80 3.763 25.503 -15.601 1.00 25.00 H new ATOM 0 HG23 THR A 80 2.549 26.802 -15.523 1.00 25.00 H new ATOM 1261 N ASP A 81 3.123 23.963 -11.335 1.00 25.00 N ATOM 1262 CA ASP A 81 3.143 23.537 -9.952 1.00 25.00 C ATOM 1263 C ASP A 81 4.548 23.258 -9.407 1.00 25.00 C ATOM 1264 O ASP A 81 5.546 22.975 -10.054 1.00 25.00 O ATOM 1265 CB ASP A 81 2.308 22.297 -9.694 1.00 25.00 C ATOM 1266 CG ASP A 81 2.967 21.068 -10.241 1.00 25.00 C ATOM 1267 OD1 ASP A 81 3.466 20.252 -9.442 1.00 25.00 O ATOM 1268 OD2 ASP A 81 2.968 20.935 -11.449 1.00 25.00 O ATOM 1269 OXT ASP A 81 4.599 23.488 -8.154 1.00 25.00 O ATOM 0 H ASP A 81 3.759 23.447 -11.943 1.00 25.00 H new ATOM 0 HA ASP A 81 2.715 24.393 -9.430 1.00 25.00 H new ATOM 0 HB2 ASP A 81 2.150 22.180 -8.622 1.00 25.00 H new ATOM 0 HB3 ASP A 81 1.325 22.418 -10.150 1.00 25.00 H new TER 1275 ASP A 81