USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 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 Set 1.1: A 2 SER OG : rot 163:sc= 0.157 USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0.148 USER MOD Set 2.1: A 5 TYR OH : rot -53:sc= 0.206 USER MOD Set 2.2: A 7 ASN : amide:sc= -0.0368 K(o=0.17,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -144:sc= 0 (180deg=-1.08) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=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= 0.685 K(o=0.68,f=-1.9!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 25 SER OG : rot 180:sc= 0.101 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 177:sc= -0.318 (180deg=-0.334) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -20:sc= 0.304 USER MOD Single : A 40 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.2) USER MOD Single : A 48 CYS SG : rot 60:sc= -0.7 USER MOD Single : A 49 SER OG : rot 33:sc= -0.318 USER MOD Single : A 51 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0.015) USER MOD Single : A 54 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.3) USER MOD Single : A 60 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.74) 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 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 12.782 15.079 -20.714 1.00 25.00 N ATOM 2 CA GLY A 1 13.017 13.595 -20.705 1.00 25.00 C ATOM 3 C GLY A 1 12.188 12.790 -21.684 1.00 25.00 C ATOM 4 O GLY A 1 12.677 11.909 -22.363 1.00 25.00 O ATOM 0 H1 GLY A 1 13.398 15.532 -20.009 1.00 25.00 H new ATOM 0 H2 GLY A 1 12.998 15.459 -21.658 1.00 25.00 H new ATOM 0 H3 GLY A 1 11.787 15.274 -20.481 1.00 25.00 H new ATOM 0 HA2 GLY A 1 14.071 13.412 -20.914 1.00 25.00 H new ATOM 0 HA3 GLY A 1 12.822 13.221 -19.700 1.00 25.00 H new ATOM 9 N SER A 2 10.870 13.069 -21.687 1.00 25.00 N ATOM 10 CA SER A 2 9.842 12.455 -22.547 1.00 25.00 C ATOM 11 C SER A 2 9.658 10.926 -22.400 1.00 25.00 C ATOM 12 O SER A 2 8.857 10.315 -23.106 1.00 25.00 O ATOM 13 CB SER A 2 10.128 12.766 -24.012 1.00 25.00 C ATOM 14 OG SER A 2 10.257 14.154 -24.225 1.00 25.00 O ATOM 0 H SER A 2 10.474 13.766 -21.056 1.00 25.00 H new ATOM 0 HA SER A 2 8.910 12.903 -22.203 1.00 25.00 H new ATOM 0 HB2 SER A 2 11.044 12.262 -24.321 1.00 25.00 H new ATOM 0 HB3 SER A 2 9.323 12.374 -24.633 1.00 25.00 H new ATOM 0 HG SER A 2 10.702 14.313 -25.083 1.00 25.00 H new ATOM 20 N MET A 3 10.402 10.311 -21.495 1.00 25.00 N ATOM 21 CA MET A 3 10.362 8.865 -21.294 1.00 25.00 C ATOM 22 C MET A 3 10.597 8.577 -19.815 1.00 25.00 C ATOM 23 O MET A 3 11.579 9.032 -19.246 1.00 25.00 O ATOM 24 CB MET A 3 11.455 8.210 -22.151 1.00 25.00 C ATOM 25 CG MET A 3 11.575 6.692 -22.052 1.00 25.00 C ATOM 26 SD MET A 3 12.894 6.119 -23.128 1.00 25.00 S ATOM 27 CE MET A 3 13.055 4.436 -22.590 1.00 25.00 C ATOM 0 H MET A 3 11.052 10.797 -20.877 1.00 25.00 H new ATOM 0 HA MET A 3 9.395 8.459 -21.591 1.00 25.00 H new ATOM 0 HB2 MET A 3 11.274 8.471 -23.194 1.00 25.00 H new ATOM 0 HB3 MET A 3 12.414 8.647 -21.874 1.00 25.00 H new ATOM 0 HG2 MET A 3 11.780 6.400 -21.022 1.00 25.00 H new ATOM 0 HG3 MET A 3 10.632 6.224 -22.335 1.00 25.00 H new ATOM 0 HE1 MET A 3 14.104 4.142 -22.624 1.00 25.00 H new ATOM 0 HE2 MET A 3 12.685 4.344 -21.569 1.00 25.00 H new ATOM 0 HE3 MET A 3 12.475 3.787 -23.246 1.00 25.00 H new ATOM 37 N LYS A 4 9.667 7.859 -19.188 1.00 25.00 N ATOM 38 CA LYS A 4 9.777 7.529 -17.750 1.00 25.00 C ATOM 39 C LYS A 4 10.013 6.022 -17.571 1.00 25.00 C ATOM 40 O LYS A 4 10.679 5.590 -16.631 1.00 25.00 O ATOM 41 CB LYS A 4 8.498 7.963 -17.001 1.00 25.00 C ATOM 42 CG LYS A 4 8.554 7.781 -15.477 1.00 25.00 C ATOM 43 CD LYS A 4 7.904 6.457 -15.019 1.00 25.00 C ATOM 44 CE LYS A 4 8.114 6.223 -13.521 1.00 25.00 C ATOM 45 NZ LYS A 4 7.593 4.874 -13.104 1.00 25.00 N ATOM 0 H LYS A 4 8.830 7.492 -19.641 1.00 25.00 H new ATOM 0 HA LYS A 4 10.625 8.070 -17.330 1.00 25.00 H new ATOM 0 HB2 LYS A 4 8.303 9.013 -17.221 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.654 7.393 -17.391 1.00 25.00 H new ATOM 0 HG2 LYS A 4 9.593 7.805 -15.149 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.048 8.617 -14.995 1.00 25.00 H new ATOM 0 HD2 LYS A 4 6.837 6.478 -15.240 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.330 5.627 -15.582 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.175 6.295 -13.284 1.00 25.00 H new ATOM 0 HE3 LYS A 4 7.607 7.003 -12.953 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 7.748 4.742 -12.084 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 6.575 4.816 -13.310 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 8.095 4.130 -13.630 1.00 25.00 H new ATOM 59 N TYR A 5 9.457 5.249 -18.487 1.00 25.00 N ATOM 60 CA TYR A 5 9.633 3.798 -18.528 1.00 25.00 C ATOM 61 C TYR A 5 9.576 3.505 -20.014 1.00 25.00 C ATOM 62 O TYR A 5 9.322 4.429 -20.793 1.00 25.00 O ATOM 63 CB TYR A 5 8.534 3.068 -17.740 1.00 25.00 C ATOM 64 CG TYR A 5 7.133 3.226 -18.301 1.00 25.00 C ATOM 65 CD1 TYR A 5 6.513 2.152 -18.965 1.00 25.00 C ATOM 66 CD2 TYR A 5 6.412 4.434 -18.161 1.00 25.00 C ATOM 67 CE1 TYR A 5 5.203 2.275 -19.480 1.00 25.00 C ATOM 68 CE2 TYR A 5 5.102 4.555 -18.670 1.00 25.00 C ATOM 69 CZ TYR A 5 4.512 3.478 -19.323 1.00 25.00 C ATOM 70 OH TYR A 5 3.237 3.595 -19.817 1.00 25.00 O ATOM 0 H TYR A 5 8.863 5.610 -19.234 1.00 25.00 H new ATOM 0 HA TYR A 5 10.557 3.455 -18.063 1.00 25.00 H new ATOM 0 HB2 TYR A 5 8.778 2.006 -17.704 1.00 25.00 H new ATOM 0 HB3 TYR A 5 8.541 3.432 -16.713 1.00 25.00 H new ATOM 0 HD1 TYR A 5 7.046 1.220 -19.083 1.00 25.00 H new ATOM 0 HD2 TYR A 5 6.869 5.274 -17.659 1.00 25.00 H new ATOM 0 HE1 TYR A 5 4.740 1.444 -19.991 1.00 25.00 H new ATOM 0 HE2 TYR A 5 4.559 5.481 -18.553 1.00 25.00 H new ATOM 0 HH TYR A 5 3.227 3.337 -20.762 1.00 25.00 H new ATOM 80 N LEU A 6 9.842 2.271 -20.414 1.00 25.00 N ATOM 81 CA LEU A 6 9.953 1.943 -21.839 1.00 25.00 C ATOM 82 C LEU A 6 8.708 2.252 -22.677 1.00 25.00 C ATOM 83 O LEU A 6 8.837 2.809 -23.751 1.00 25.00 O ATOM 84 CB LEU A 6 10.281 0.464 -21.996 1.00 25.00 C ATOM 85 CG LEU A 6 11.643 0.028 -21.454 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.636 -1.467 -21.303 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.791 0.446 -22.380 1.00 25.00 C ATOM 0 H LEU A 6 9.985 1.482 -19.783 1.00 25.00 H new ATOM 0 HA LEU A 6 10.747 2.587 -22.218 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.507 -0.117 -21.494 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.233 0.210 -23.055 1.00 25.00 H new ATOM 0 HG LEU A 6 11.807 0.517 -20.494 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.600 -1.798 -20.917 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.848 -1.759 -20.609 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.455 -1.930 -22.273 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.739 0.116 -21.956 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.653 -0.011 -23.360 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.798 1.531 -22.484 1.00 25.00 H new ATOM 99 N ASN A 7 7.544 1.847 -22.197 1.00 25.00 N ATOM 100 CA ASN A 7 6.273 2.026 -22.920 1.00 25.00 C ATOM 101 C ASN A 7 6.307 1.559 -24.389 1.00 25.00 C ATOM 102 O ASN A 7 5.765 2.210 -25.282 1.00 25.00 O ATOM 103 CB ASN A 7 5.816 3.488 -22.832 1.00 25.00 C ATOM 104 CG ASN A 7 4.362 3.657 -23.181 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.537 2.815 -22.828 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.026 4.735 -23.826 1.00 25.00 N ATOM 0 H ASN A 7 7.442 1.383 -21.294 1.00 25.00 H new ATOM 0 HA ASN A 7 5.552 1.377 -22.423 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.990 3.860 -21.822 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.421 4.096 -23.504 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.048 4.907 -24.057 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.741 5.409 -24.101 1.00 25.00 H new ATOM 113 N VAL A 8 6.930 0.422 -24.632 1.00 25.00 N ATOM 114 CA VAL A 8 6.975 -0.172 -25.971 1.00 25.00 C ATOM 115 C VAL A 8 6.117 -1.416 -25.882 1.00 25.00 C ATOM 116 O VAL A 8 5.785 -1.840 -24.794 1.00 25.00 O ATOM 117 CB VAL A 8 8.445 -0.549 -26.396 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.318 0.691 -26.498 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.080 -1.540 -25.385 1.00 25.00 C ATOM 0 H VAL A 8 7.418 -0.119 -23.919 1.00 25.00 H new ATOM 0 HA VAL A 8 6.616 0.530 -26.724 1.00 25.00 H new ATOM 0 HB VAL A 8 8.387 -1.026 -27.374 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.327 0.402 -26.793 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.902 1.369 -27.244 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.352 1.193 -25.531 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.094 -1.783 -25.702 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.109 -1.082 -24.396 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.484 -2.451 -25.345 1.00 25.00 H new ATOM 129 N LEU A 9 5.754 -2.004 -27.003 1.00 25.00 N ATOM 130 CA LEU A 9 4.887 -3.186 -27.000 1.00 25.00 C ATOM 131 C LEU A 9 5.490 -4.273 -27.852 1.00 25.00 C ATOM 132 O LEU A 9 6.310 -4.013 -28.724 1.00 25.00 O ATOM 133 CB LEU A 9 3.470 -2.847 -27.477 1.00 25.00 C ATOM 134 CG LEU A 9 3.356 -1.878 -28.666 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.228 -2.320 -29.588 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.096 -0.461 -28.165 1.00 25.00 C ATOM 0 H LEU A 9 6.040 -1.691 -27.931 1.00 25.00 H new ATOM 0 HA LEU A 9 4.808 -3.544 -25.973 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.970 -3.777 -27.747 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.921 -2.422 -26.637 1.00 25.00 H new ATOM 0 HG LEU A 9 4.294 -1.888 -29.221 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.153 -1.629 -30.428 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.435 -3.323 -29.961 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.288 -2.324 -29.037 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.017 0.217 -29.015 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.166 -0.441 -27.597 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.919 -0.145 -27.524 1.00 25.00 H new ATOM 148 N ALA A 10 5.111 -5.508 -27.562 1.00 25.00 N ATOM 149 CA ALA A 10 5.672 -6.664 -28.233 1.00 25.00 C ATOM 150 C ALA A 10 4.621 -7.752 -28.484 1.00 25.00 C ATOM 151 O ALA A 10 3.738 -7.980 -27.656 1.00 25.00 O ATOM 152 CB ALA A 10 6.822 -7.225 -27.401 1.00 25.00 C ATOM 0 H ALA A 10 4.409 -5.734 -26.858 1.00 25.00 H new ATOM 0 HA ALA A 10 6.040 -6.341 -29.207 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.245 -8.094 -27.904 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.592 -6.463 -27.284 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.451 -7.519 -26.419 1.00 25.00 H new ATOM 158 N LYS A 11 4.755 -8.436 -29.611 1.00 25.00 N ATOM 159 CA LYS A 11 3.852 -9.523 -29.985 1.00 25.00 C ATOM 160 C LYS A 11 4.412 -10.823 -29.458 1.00 25.00 C ATOM 161 O LYS A 11 5.591 -11.107 -29.657 1.00 25.00 O ATOM 162 CB LYS A 11 3.761 -9.622 -31.511 1.00 25.00 C ATOM 163 CG LYS A 11 2.903 -10.785 -32.005 1.00 25.00 C ATOM 164 CD LYS A 11 2.983 -10.964 -33.494 1.00 25.00 C ATOM 165 CE LYS A 11 2.204 -12.215 -33.917 1.00 25.00 C ATOM 166 NZ LYS A 11 2.238 -12.446 -35.404 1.00 25.00 N ATOM 0 H LYS A 11 5.491 -8.256 -30.294 1.00 25.00 H new ATOM 0 HA LYS A 11 2.863 -9.330 -29.569 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.353 -8.690 -31.902 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.766 -9.726 -31.919 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.224 -11.704 -31.514 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.865 -10.615 -31.718 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.577 -10.086 -33.996 1.00 25.00 H new ATOM 0 HD3 LYS A 11 4.025 -11.053 -33.802 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.619 -13.085 -33.409 1.00 25.00 H new ATOM 0 HE3 LYS A 11 1.168 -12.120 -33.592 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 1.697 -13.303 -35.635 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.818 -11.629 -35.892 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 3.223 -12.565 -35.714 1.00 25.00 H new ATOM 180 N ALA A 12 3.547 -11.634 -28.874 1.00 25.00 N ATOM 181 CA ALA A 12 3.913 -12.981 -28.463 1.00 25.00 C ATOM 182 C ALA A 12 3.984 -13.872 -29.688 1.00 25.00 C ATOM 183 O ALA A 12 3.007 -14.033 -30.415 1.00 25.00 O ATOM 184 CB ALA A 12 2.896 -13.522 -27.462 1.00 25.00 C ATOM 0 H ALA A 12 2.579 -11.382 -28.672 1.00 25.00 H new ATOM 0 HA ALA A 12 4.888 -12.963 -27.977 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.181 -14.530 -27.162 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.870 -12.876 -26.584 1.00 25.00 H new ATOM 0 HB3 ALA A 12 1.909 -13.546 -27.923 1.00 25.00 H new ATOM 190 N LEU A 13 5.146 -14.460 -29.914 1.00 25.00 N ATOM 191 CA LEU A 13 5.368 -15.312 -31.072 1.00 25.00 C ATOM 192 C LEU A 13 4.905 -16.732 -30.780 1.00 25.00 C ATOM 193 O LEU A 13 4.550 -17.472 -31.688 1.00 25.00 O ATOM 194 CB LEU A 13 6.862 -15.328 -31.413 1.00 25.00 C ATOM 195 CG LEU A 13 7.493 -13.981 -31.786 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.012 -14.140 -31.868 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.946 -13.481 -33.121 1.00 25.00 C ATOM 0 H LEU A 13 5.958 -14.362 -29.305 1.00 25.00 H new ATOM 0 HA LEU A 13 4.798 -14.918 -31.914 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.403 -15.733 -30.558 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.015 -16.018 -32.243 1.00 25.00 H new ATOM 0 HG LEU A 13 7.243 -13.248 -31.019 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.464 -13.184 -32.133 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.396 -14.468 -30.902 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.260 -14.882 -32.627 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.406 -12.524 -33.367 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.175 -14.206 -33.902 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.866 -13.356 -33.048 1.00 25.00 H new ATOM 209 N TYR A 14 4.922 -17.086 -29.503 1.00 25.00 N ATOM 210 CA TYR A 14 4.597 -18.431 -29.056 1.00 25.00 C ATOM 211 C TYR A 14 3.603 -18.299 -27.921 1.00 25.00 C ATOM 212 O TYR A 14 3.450 -17.215 -27.362 1.00 25.00 O ATOM 213 CB TYR A 14 5.858 -19.145 -28.557 1.00 25.00 C ATOM 214 CG TYR A 14 6.987 -19.108 -29.564 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.005 -19.995 -30.673 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.044 -18.183 -29.421 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.067 -19.946 -31.618 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.102 -18.134 -30.363 1.00 25.00 C ATOM 219 CZ TYR A 14 9.096 -19.012 -31.449 1.00 25.00 C ATOM 220 OH TYR A 14 10.123 -18.958 -32.354 1.00 25.00 O ATOM 0 H TYR A 14 5.162 -16.446 -28.746 1.00 25.00 H new ATOM 0 HA TYR A 14 4.180 -19.015 -29.877 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.190 -18.681 -27.628 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.616 -20.182 -28.326 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.207 -20.712 -30.800 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.046 -17.503 -28.582 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.079 -20.624 -32.459 1.00 25.00 H new ATOM 0 HE2 TYR A 14 9.906 -17.423 -30.242 1.00 25.00 H new ATOM 0 HH TYR A 14 10.753 -18.255 -32.092 1.00 25.00 H new ATOM 230 N ASP A 15 2.931 -19.385 -27.588 1.00 25.00 N ATOM 231 CA ASP A 15 1.984 -19.405 -26.483 1.00 25.00 C ATOM 232 C ASP A 15 2.676 -19.961 -25.249 1.00 25.00 C ATOM 233 O ASP A 15 3.717 -20.620 -25.353 1.00 25.00 O ATOM 234 CB ASP A 15 0.745 -20.238 -26.843 1.00 25.00 C ATOM 235 CG ASP A 15 1.093 -21.651 -27.329 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.557 -22.606 -26.742 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.766 -21.775 -28.384 1.00 25.00 O ATOM 0 H ASP A 15 3.024 -20.277 -28.073 1.00 25.00 H new ATOM 0 HA ASP A 15 1.645 -18.390 -26.277 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.096 -20.310 -25.970 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.180 -19.722 -27.619 1.00 25.00 H new ATOM 242 N ASN A 16 2.145 -19.638 -24.079 1.00 25.00 N ATOM 243 CA ASN A 16 2.723 -20.045 -22.810 1.00 25.00 C ATOM 244 C ASN A 16 1.630 -20.275 -21.776 1.00 25.00 C ATOM 245 O ASN A 16 0.780 -19.412 -21.552 1.00 25.00 O ATOM 246 CB ASN A 16 3.653 -18.944 -22.293 1.00 25.00 C ATOM 247 CG ASN A 16 4.514 -19.401 -21.148 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.252 -20.366 -21.279 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.468 -18.696 -20.055 1.00 25.00 N ATOM 0 H ASN A 16 1.295 -19.082 -23.985 1.00 25.00 H new ATOM 0 HA ASN A 16 3.278 -20.970 -22.966 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.291 -18.601 -23.108 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.056 -18.090 -21.975 1.00 25.00 H new ATOM 0 HD21 ASN A 16 5.064 -18.942 -19.264 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.836 -17.898 -19.989 1.00 25.00 H new ATOM 256 N VAL A 17 1.693 -21.406 -21.098 1.00 25.00 N ATOM 257 CA VAL A 17 0.862 -21.630 -19.926 1.00 25.00 C ATOM 258 C VAL A 17 1.844 -21.365 -18.800 1.00 25.00 C ATOM 259 O VAL A 17 2.924 -21.942 -18.779 1.00 25.00 O ATOM 260 CB VAL A 17 0.271 -23.079 -19.861 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.519 -23.284 -18.550 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.649 -23.325 -21.089 1.00 25.00 C ATOM 0 H VAL A 17 2.309 -22.183 -21.337 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.027 -21.000 -19.902 1.00 25.00 H new ATOM 0 HB VAL A 17 1.092 -23.796 -19.880 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.922 -24.296 -18.523 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.144 -23.134 -17.698 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.338 -22.566 -18.503 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.058 -24.334 -21.041 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.465 -22.602 -21.083 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.070 -23.212 -22.006 1.00 25.00 H new ATOM 272 N ALA A 18 1.512 -20.412 -17.943 1.00 25.00 N ATOM 273 CA ALA A 18 2.410 -20.002 -16.888 1.00 25.00 C ATOM 274 C ALA A 18 2.459 -21.089 -15.832 1.00 25.00 C ATOM 275 O ALA A 18 1.433 -21.692 -15.521 1.00 25.00 O ATOM 276 CB ALA A 18 1.924 -18.673 -16.275 1.00 25.00 C ATOM 0 H ALA A 18 0.624 -19.910 -17.962 1.00 25.00 H new ATOM 0 HA ALA A 18 3.411 -19.848 -17.291 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.605 -18.369 -15.480 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.900 -17.904 -17.047 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.923 -18.806 -15.864 1.00 25.00 H new ATOM 282 N GLU A 19 3.629 -21.301 -15.261 1.00 25.00 N ATOM 283 CA GLU A 19 3.788 -22.272 -14.184 1.00 25.00 C ATOM 284 C GLU A 19 4.078 -21.551 -12.866 1.00 25.00 C ATOM 285 O GLU A 19 3.754 -22.053 -11.789 1.00 25.00 O ATOM 286 CB GLU A 19 4.905 -23.270 -14.491 1.00 25.00 C ATOM 287 CG GLU A 19 4.665 -24.019 -15.787 1.00 25.00 C ATOM 288 CD GLU A 19 5.399 -25.361 -15.830 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.698 -26.396 -15.934 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.648 -25.387 -15.780 1.00 25.00 O ATOM 0 H GLU A 19 4.487 -20.816 -15.522 1.00 25.00 H new ATOM 0 HA GLU A 19 2.855 -22.829 -14.095 1.00 25.00 H new ATOM 0 HB2 GLU A 19 5.856 -22.741 -14.550 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.988 -23.984 -13.671 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.596 -24.189 -15.913 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.991 -23.403 -16.625 1.00 25.00 H new ATOM 297 N SER A 20 4.656 -20.361 -12.963 1.00 25.00 N ATOM 298 CA SER A 20 4.915 -19.524 -11.788 1.00 25.00 C ATOM 299 C SER A 20 3.783 -18.513 -11.660 1.00 25.00 C ATOM 300 O SER A 20 3.264 -18.043 -12.674 1.00 25.00 O ATOM 301 CB SER A 20 6.242 -18.787 -11.957 1.00 25.00 C ATOM 302 OG SER A 20 6.516 -17.968 -10.832 1.00 25.00 O ATOM 0 H SER A 20 4.957 -19.948 -13.846 1.00 25.00 H new ATOM 0 HA SER A 20 4.970 -20.145 -10.894 1.00 25.00 H new ATOM 0 HB2 SER A 20 7.048 -19.508 -12.091 1.00 25.00 H new ATOM 0 HB3 SER A 20 6.210 -18.174 -12.858 1.00 25.00 H new ATOM 0 HG SER A 20 7.371 -17.508 -10.963 1.00 25.00 H new ATOM 308 N PRO A 21 3.395 -18.133 -10.426 1.00 25.00 N ATOM 309 CA PRO A 21 2.340 -17.117 -10.349 1.00 25.00 C ATOM 310 C PRO A 21 2.820 -15.722 -10.743 1.00 25.00 C ATOM 311 O PRO A 21 2.018 -14.835 -11.021 1.00 25.00 O ATOM 312 CB PRO A 21 1.933 -17.174 -8.879 1.00 25.00 C ATOM 313 CG PRO A 21 3.169 -17.536 -8.174 1.00 25.00 C ATOM 314 CD PRO A 21 3.839 -18.548 -9.080 1.00 25.00 C ATOM 0 HA PRO A 21 1.523 -17.312 -11.044 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.546 -16.215 -8.536 1.00 25.00 H new ATOM 0 HB3 PRO A 21 1.149 -17.912 -8.712 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.804 -16.665 -8.014 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.957 -17.961 -7.193 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.925 -18.518 -8.986 1.00 25.00 H new ATOM 0 HD3 PRO A 21 3.527 -19.566 -8.848 1.00 25.00 H new ATOM 322 N ASP A 22 4.130 -15.549 -10.794 1.00 25.00 N ATOM 323 CA ASP A 22 4.750 -14.290 -11.196 1.00 25.00 C ATOM 324 C ASP A 22 4.746 -14.151 -12.719 1.00 25.00 C ATOM 325 O ASP A 22 5.031 -13.087 -13.255 1.00 25.00 O ATOM 326 CB ASP A 22 6.207 -14.262 -10.729 1.00 25.00 C ATOM 327 CG ASP A 22 6.350 -14.403 -9.217 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.275 -15.543 -8.717 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.549 -13.374 -8.533 1.00 25.00 O ATOM 0 H ASP A 22 4.800 -16.280 -10.557 1.00 25.00 H new ATOM 0 HA ASP A 22 4.182 -13.475 -10.747 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.755 -15.068 -11.217 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.667 -13.326 -11.046 1.00 25.00 H new ATOM 334 N GLU A 23 4.507 -15.261 -13.401 1.00 25.00 N ATOM 335 CA GLU A 23 4.633 -15.353 -14.848 1.00 25.00 C ATOM 336 C GLU A 23 3.304 -15.099 -15.551 1.00 25.00 C ATOM 337 O GLU A 23 2.247 -15.490 -15.060 1.00 25.00 O ATOM 338 CB GLU A 23 5.121 -16.764 -15.166 1.00 25.00 C ATOM 339 CG GLU A 23 5.548 -17.002 -16.595 1.00 25.00 C ATOM 340 CD GLU A 23 5.963 -18.449 -16.831 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.456 -18.738 -17.940 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.740 -19.308 -15.931 1.00 25.00 O ATOM 0 H GLU A 23 4.217 -16.134 -12.960 1.00 25.00 H new ATOM 0 HA GLU A 23 5.330 -14.594 -15.203 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.962 -16.994 -14.512 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.325 -17.468 -14.922 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.728 -16.745 -17.266 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.380 -16.341 -16.840 1.00 25.00 H new ATOM 349 N LEU A 24 3.347 -14.438 -16.704 1.00 25.00 N ATOM 350 CA LEU A 24 2.125 -14.161 -17.452 1.00 25.00 C ATOM 351 C LEU A 24 1.825 -15.289 -18.432 1.00 25.00 C ATOM 352 O LEU A 24 2.696 -15.727 -19.184 1.00 25.00 O ATOM 353 CB LEU A 24 2.246 -12.833 -18.209 1.00 25.00 C ATOM 354 CG LEU A 24 1.351 -11.706 -17.656 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.696 -10.379 -18.318 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.144 -12.008 -17.874 1.00 25.00 C ATOM 0 H LEU A 24 4.202 -14.088 -17.136 1.00 25.00 H new ATOM 0 HA LEU A 24 1.303 -14.088 -16.739 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.285 -12.504 -18.179 1.00 25.00 H new ATOM 0 HB3 LEU A 24 1.994 -13.001 -19.256 1.00 25.00 H new ATOM 0 HG LEU A 24 1.538 -11.642 -16.584 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.055 -9.594 -17.916 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.739 -10.133 -18.118 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.541 -10.458 -19.394 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.743 -11.191 -17.471 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.342 -12.112 -18.941 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.406 -12.935 -17.365 1.00 25.00 H new ATOM 368 N SER A 25 0.577 -15.733 -18.444 1.00 25.00 N ATOM 369 CA SER A 25 0.139 -16.770 -19.372 1.00 25.00 C ATOM 370 C SER A 25 -0.360 -16.110 -20.652 1.00 25.00 C ATOM 371 O SER A 25 -1.558 -15.891 -20.847 1.00 25.00 O ATOM 372 CB SER A 25 -0.969 -17.578 -18.705 1.00 25.00 C ATOM 373 OG SER A 25 -1.652 -16.756 -17.763 1.00 25.00 O ATOM 0 H SER A 25 -0.154 -15.391 -17.820 1.00 25.00 H new ATOM 0 HA SER A 25 0.961 -17.439 -19.627 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.667 -17.947 -19.456 1.00 25.00 H new ATOM 0 HB3 SER A 25 -0.548 -18.450 -18.205 1.00 25.00 H new ATOM 0 HG SER A 25 -2.366 -17.273 -17.334 1.00 25.00 H new ATOM 379 N PHE A 26 0.577 -15.804 -21.543 1.00 25.00 N ATOM 380 CA PHE A 26 0.253 -15.137 -22.811 1.00 25.00 C ATOM 381 C PHE A 26 0.061 -16.200 -23.885 1.00 25.00 C ATOM 382 O PHE A 26 0.508 -17.330 -23.731 1.00 25.00 O ATOM 383 CB PHE A 26 1.386 -14.185 -23.207 1.00 25.00 C ATOM 384 CG PHE A 26 2.743 -14.836 -23.219 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.531 -14.835 -22.059 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.240 -15.462 -24.386 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.802 -15.443 -22.034 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.533 -16.068 -24.381 1.00 25.00 C ATOM 389 CZ PHE A 26 5.318 -16.052 -23.201 1.00 25.00 C ATOM 0 H PHE A 26 1.569 -16.005 -21.416 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.662 -14.555 -22.701 1.00 25.00 H new ATOM 0 HB2 PHE A 26 1.178 -13.778 -24.197 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.402 -13.344 -22.514 1.00 25.00 H new ATOM 0 HD1 PHE A 26 3.156 -14.358 -21.166 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.640 -15.482 -25.284 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.382 -15.444 -21.123 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.913 -16.538 -25.276 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.300 -16.500 -23.193 1.00 25.00 H new ATOM 399 N ARG A 27 -0.566 -15.833 -24.994 1.00 25.00 N ATOM 400 CA ARG A 27 -0.752 -16.775 -26.102 1.00 25.00 C ATOM 401 C ARG A 27 -0.228 -16.197 -27.388 1.00 25.00 C ATOM 402 O ARG A 27 -0.109 -14.994 -27.538 1.00 25.00 O ATOM 403 CB ARG A 27 -2.215 -17.196 -26.240 1.00 25.00 C ATOM 404 CG ARG A 27 -2.670 -18.069 -25.070 1.00 25.00 C ATOM 405 CD ARG A 27 -4.049 -18.651 -25.311 1.00 25.00 C ATOM 406 NE ARG A 27 -4.431 -19.575 -24.222 1.00 25.00 N ATOM 407 CZ ARG A 27 -4.147 -20.877 -24.178 1.00 25.00 C ATOM 408 NH1 ARG A 27 -3.471 -21.484 -25.118 1.00 25.00 N ATOM 409 NH2 ARG A 27 -4.574 -21.577 -23.163 1.00 25.00 N ATOM 0 H ARG A 27 -0.952 -14.903 -25.155 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.176 -17.673 -25.876 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.844 -16.308 -26.297 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.349 -17.742 -27.174 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.955 -18.877 -24.919 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.679 -17.476 -24.155 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.780 -17.846 -25.383 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.063 -19.180 -26.264 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.955 -19.184 -23.439 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -3.138 -20.959 -25.927 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -3.277 -22.482 -25.043 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.113 -21.127 -22.424 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -4.368 -22.575 -23.109 1.00 25.00 H new ATOM 423 N LYS A 28 0.116 -17.086 -28.314 1.00 25.00 N ATOM 424 CA LYS A 28 0.679 -16.698 -29.608 1.00 25.00 C ATOM 425 C LYS A 28 -0.283 -15.775 -30.335 1.00 25.00 C ATOM 426 O LYS A 28 -1.479 -16.040 -30.403 1.00 25.00 O ATOM 427 CB LYS A 28 0.994 -17.963 -30.437 1.00 25.00 C ATOM 428 CG LYS A 28 -0.222 -18.887 -30.707 1.00 25.00 C ATOM 429 CD LYS A 28 0.178 -20.299 -31.107 1.00 25.00 C ATOM 430 CE LYS A 28 0.853 -20.380 -32.470 1.00 25.00 C ATOM 431 NZ LYS A 28 1.078 -21.813 -32.834 1.00 25.00 N ATOM 0 H LYS A 28 0.014 -18.094 -28.192 1.00 25.00 H new ATOM 0 HA LYS A 28 1.611 -16.153 -29.458 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.418 -17.657 -31.393 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.761 -18.538 -29.918 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.843 -18.931 -29.812 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.833 -18.451 -31.497 1.00 25.00 H new ATOM 0 HD2 LYS A 28 0.853 -20.704 -30.352 1.00 25.00 H new ATOM 0 HD3 LYS A 28 -0.710 -20.931 -31.113 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.232 -19.896 -33.224 1.00 25.00 H new ATOM 0 HE3 LYS A 28 1.803 -19.846 -32.449 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 1.539 -21.867 -33.765 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 1.687 -22.261 -32.120 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.165 -22.309 -32.871 1.00 25.00 H new ATOM 445 N GLY A 29 0.247 -14.683 -30.860 1.00 25.00 N ATOM 446 CA GLY A 29 -0.569 -13.716 -31.574 1.00 25.00 C ATOM 447 C GLY A 29 -0.988 -12.522 -30.743 1.00 25.00 C ATOM 448 O GLY A 29 -1.297 -11.480 -31.312 1.00 25.00 O ATOM 0 H GLY A 29 1.237 -14.444 -30.805 1.00 25.00 H new ATOM 0 HA2 GLY A 29 -0.015 -13.363 -32.444 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.463 -14.217 -31.947 1.00 25.00 H new ATOM 452 N ASP A 30 -0.971 -12.670 -29.423 1.00 25.00 N ATOM 453 CA ASP A 30 -1.365 -11.605 -28.504 1.00 25.00 C ATOM 454 C ASP A 30 -0.251 -10.552 -28.445 1.00 25.00 C ATOM 455 O ASP A 30 0.899 -10.829 -28.815 1.00 25.00 O ATOM 456 CB ASP A 30 -1.615 -12.213 -27.122 1.00 25.00 C ATOM 457 CG ASP A 30 -2.574 -11.384 -26.271 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.847 -10.220 -26.614 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.069 -11.935 -25.263 1.00 25.00 O ATOM 0 H ASP A 30 -0.684 -13.531 -28.958 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.280 -11.122 -28.847 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -2.020 -13.218 -27.241 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.665 -12.312 -26.597 1.00 25.00 H new ATOM 464 N ILE A 31 -0.570 -9.346 -27.993 1.00 25.00 N ATOM 465 CA ILE A 31 0.398 -8.249 -27.900 1.00 25.00 C ATOM 466 C ILE A 31 0.283 -7.629 -26.522 1.00 25.00 C ATOM 467 O ILE A 31 -0.809 -7.377 -26.035 1.00 25.00 O ATOM 468 CB ILE A 31 0.144 -7.153 -28.987 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.433 -7.714 -30.402 1.00 25.00 C ATOM 470 CG2 ILE A 31 1.081 -5.921 -28.780 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.776 -8.197 -31.162 1.00 25.00 C ATOM 0 H ILE A 31 -1.508 -9.096 -27.679 1.00 25.00 H new ATOM 0 HA ILE A 31 1.397 -8.651 -28.068 1.00 25.00 H new ATOM 0 HB ILE A 31 -0.899 -6.852 -28.893 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.925 -6.938 -30.989 1.00 25.00 H new ATOM 0 HG13 ILE A 31 1.138 -8.540 -30.310 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.880 -5.177 -29.551 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.897 -5.485 -27.798 1.00 25.00 H new ATOM 0 HG23 ILE A 31 2.121 -6.240 -28.846 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.467 -8.570 -32.139 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.260 -8.999 -30.604 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.477 -7.372 -31.293 1.00 25.00 H new ATOM 483 N MET A 32 1.425 -7.407 -25.889 1.00 25.00 N ATOM 484 CA MET A 32 1.475 -6.851 -24.539 1.00 25.00 C ATOM 485 C MET A 32 2.475 -5.700 -24.461 1.00 25.00 C ATOM 486 O MET A 32 3.467 -5.690 -25.185 1.00 25.00 O ATOM 487 CB MET A 32 1.859 -7.953 -23.536 1.00 25.00 C ATOM 488 CG MET A 32 3.094 -8.778 -23.942 1.00 25.00 C ATOM 489 SD MET A 32 2.768 -10.560 -23.794 1.00 25.00 S ATOM 490 CE MET A 32 1.570 -10.819 -25.171 1.00 25.00 C ATOM 0 H MET A 32 2.341 -7.605 -26.292 1.00 25.00 H new ATOM 0 HA MET A 32 0.488 -6.462 -24.288 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.046 -7.495 -22.565 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.011 -8.627 -23.412 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.373 -8.540 -24.969 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.940 -8.506 -23.311 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.318 -11.877 -25.240 1.00 25.00 H new ATOM 0 HE2 MET A 32 0.665 -10.242 -24.979 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.017 -10.491 -26.109 1.00 25.00 H new ATOM 500 N THR A 33 2.203 -4.734 -23.598 1.00 25.00 N ATOM 501 CA THR A 33 3.103 -3.589 -23.409 1.00 25.00 C ATOM 502 C THR A 33 4.235 -4.014 -22.482 1.00 25.00 C ATOM 503 O THR A 33 4.000 -4.522 -21.390 1.00 25.00 O ATOM 504 CB THR A 33 2.370 -2.372 -22.792 1.00 25.00 C ATOM 505 OG1 THR A 33 1.174 -2.127 -23.546 1.00 25.00 O ATOM 506 CG2 THR A 33 3.236 -1.115 -22.827 1.00 25.00 C ATOM 0 H THR A 33 1.368 -4.713 -23.013 1.00 25.00 H new ATOM 0 HA THR A 33 3.484 -3.286 -24.384 1.00 25.00 H new ATOM 0 HB THR A 33 2.142 -2.601 -21.751 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.699 -1.359 -23.165 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.688 -0.283 -22.386 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.151 -1.288 -22.261 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.489 -0.876 -23.860 1.00 25.00 H new ATOM 514 N VAL A 34 5.466 -3.796 -22.921 1.00 25.00 N ATOM 515 CA VAL A 34 6.652 -4.113 -22.131 1.00 25.00 C ATOM 516 C VAL A 34 6.997 -2.870 -21.337 1.00 25.00 C ATOM 517 O VAL A 34 7.172 -1.782 -21.890 1.00 25.00 O ATOM 518 CB VAL A 34 7.853 -4.534 -23.026 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.125 -4.716 -22.180 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.557 -5.850 -23.783 1.00 25.00 C ATOM 0 H VAL A 34 5.673 -3.394 -23.835 1.00 25.00 H new ATOM 0 HA VAL A 34 6.445 -4.960 -21.477 1.00 25.00 H new ATOM 0 HB VAL A 34 8.009 -3.736 -23.752 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.952 -5.010 -22.826 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.369 -3.777 -21.683 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.956 -5.490 -21.431 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.416 -6.116 -24.399 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.364 -6.647 -23.065 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.682 -5.715 -24.419 1.00 25.00 H new ATOM 530 N LEU A 35 7.031 -3.033 -20.027 1.00 25.00 N ATOM 531 CA LEU A 35 7.240 -1.926 -19.107 1.00 25.00 C ATOM 532 C LEU A 35 8.691 -1.812 -18.680 1.00 25.00 C ATOM 533 O LEU A 35 9.224 -0.719 -18.546 1.00 25.00 O ATOM 534 CB LEU A 35 6.366 -2.125 -17.852 1.00 25.00 C ATOM 535 CG LEU A 35 4.874 -2.374 -18.094 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.201 -2.685 -16.751 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.175 -1.185 -18.757 1.00 25.00 C ATOM 0 H LEU A 35 6.915 -3.937 -19.569 1.00 25.00 H new ATOM 0 HA LEU A 35 6.963 -1.009 -19.628 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.766 -2.967 -17.287 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.467 -1.242 -17.222 1.00 25.00 H new ATOM 0 HG LEU A 35 4.784 -3.216 -18.780 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.138 -2.864 -16.910 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.657 -3.572 -16.312 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.329 -1.839 -16.075 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.120 -1.419 -18.904 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.267 -0.307 -18.118 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.639 -0.982 -19.722 1.00 25.00 H new ATOM 549 N GLU A 36 9.300 -2.960 -18.425 1.00 25.00 N ATOM 550 CA GLU A 36 10.648 -3.051 -17.878 1.00 25.00 C ATOM 551 C GLU A 36 11.322 -4.296 -18.463 1.00 25.00 C ATOM 552 O GLU A 36 10.623 -5.208 -18.916 1.00 25.00 O ATOM 553 CB GLU A 36 10.561 -3.166 -16.350 1.00 25.00 C ATOM 554 CG GLU A 36 11.829 -2.766 -15.624 1.00 25.00 C ATOM 555 CD GLU A 36 12.134 -1.296 -15.793 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.450 -0.463 -15.146 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.979 -0.970 -16.655 1.00 25.00 O ATOM 0 H GLU A 36 8.867 -3.868 -18.594 1.00 25.00 H new ATOM 0 HA GLU A 36 11.229 -2.165 -18.134 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.741 -2.542 -15.996 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.315 -4.195 -16.088 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.728 -2.996 -14.563 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.665 -3.356 -16.001 1.00 25.00 H new ATOM 564 N ARG A 37 12.644 -4.344 -18.477 1.00 25.00 N ATOM 565 CA ARG A 37 13.382 -5.506 -19.012 1.00 25.00 C ATOM 566 C ARG A 37 14.480 -5.837 -18.009 1.00 25.00 C ATOM 567 O ARG A 37 14.943 -4.951 -17.314 1.00 25.00 O ATOM 568 CB ARG A 37 13.952 -5.201 -20.400 1.00 25.00 C ATOM 569 CG ARG A 37 12.829 -5.000 -21.421 1.00 25.00 C ATOM 570 CD ARG A 37 13.314 -4.879 -22.857 1.00 25.00 C ATOM 571 NE ARG A 37 13.995 -3.588 -23.108 1.00 25.00 N ATOM 572 CZ ARG A 37 14.311 -3.114 -24.306 1.00 25.00 C ATOM 573 NH1 ARG A 37 14.022 -3.761 -25.414 1.00 25.00 N ATOM 574 NH2 ARG A 37 14.912 -1.959 -24.385 1.00 25.00 N ATOM 0 H ARG A 37 13.241 -3.595 -18.126 1.00 25.00 H new ATOM 0 HA ARG A 37 12.721 -6.363 -19.139 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.571 -4.305 -20.354 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.597 -6.019 -20.720 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.135 -5.838 -21.352 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.271 -4.101 -21.160 1.00 25.00 H new ATOM 0 HD2 ARG A 37 13.998 -5.698 -23.078 1.00 25.00 H new ATOM 0 HD3 ARG A 37 12.467 -4.979 -23.535 1.00 25.00 H new ATOM 0 HE ARG A 37 14.240 -3.020 -22.297 1.00 25.00 H new ATOM 0 HH11 ARG A 37 13.539 -4.658 -25.369 1.00 25.00 H new ATOM 0 HH12 ARG A 37 14.281 -3.365 -26.318 1.00 25.00 H new ATOM 0 HH21 ARG A 37 15.130 -1.438 -23.535 1.00 25.00 H new ATOM 0 HH22 ARG A 37 15.164 -1.576 -25.296 1.00 25.00 H new ATOM 588 N ASP A 38 14.800 -7.128 -17.900 1.00 25.00 N ATOM 589 CA ASP A 38 15.689 -7.675 -16.855 1.00 25.00 C ATOM 590 C ASP A 38 15.059 -7.342 -15.500 1.00 25.00 C ATOM 591 O ASP A 38 15.699 -6.956 -14.518 1.00 25.00 O ATOM 592 CB ASP A 38 17.120 -7.135 -16.993 1.00 25.00 C ATOM 593 CG ASP A 38 18.143 -8.077 -16.399 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.773 -8.872 -15.515 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.306 -8.054 -16.853 1.00 25.00 O ATOM 0 H ASP A 38 14.447 -7.839 -18.541 1.00 25.00 H new ATOM 0 HA ASP A 38 15.783 -8.756 -16.956 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.346 -6.973 -18.047 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.191 -6.166 -16.499 1.00 25.00 H new ATOM 600 N THR A 39 13.742 -7.456 -15.493 1.00 25.00 N ATOM 601 CA THR A 39 12.913 -6.983 -14.387 1.00 25.00 C ATOM 602 C THR A 39 13.057 -7.784 -13.097 1.00 25.00 C ATOM 603 O THR A 39 12.577 -7.360 -12.051 1.00 25.00 O ATOM 604 CB THR A 39 11.415 -7.030 -14.811 1.00 25.00 C ATOM 605 OG1 THR A 39 10.599 -6.480 -13.771 1.00 25.00 O ATOM 606 CG2 THR A 39 10.931 -8.449 -15.076 1.00 25.00 C ATOM 0 H THR A 39 13.212 -7.880 -16.254 1.00 25.00 H new ATOM 0 HA THR A 39 13.258 -5.971 -14.176 1.00 25.00 H new ATOM 0 HB THR A 39 11.332 -6.452 -15.731 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.094 -6.493 -12.925 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.881 -8.427 -15.368 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.522 -8.891 -15.878 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.043 -9.047 -14.171 1.00 25.00 H new ATOM 614 N GLN A 40 13.705 -8.935 -13.168 1.00 25.00 N ATOM 615 CA GLN A 40 13.850 -9.795 -11.994 1.00 25.00 C ATOM 616 C GLN A 40 15.308 -10.207 -11.800 1.00 25.00 C ATOM 617 O GLN A 40 15.607 -11.149 -11.087 1.00 25.00 O ATOM 618 CB GLN A 40 12.936 -11.022 -12.163 1.00 25.00 C ATOM 619 CG GLN A 40 12.557 -11.718 -10.845 1.00 25.00 C ATOM 620 CD GLN A 40 11.335 -12.597 -10.995 1.00 25.00 C ATOM 621 OE1 GLN A 40 10.243 -12.115 -11.242 1.00 25.00 O ATOM 622 NE2 GLN A 40 11.513 -13.880 -10.831 1.00 25.00 N ATOM 0 H GLN A 40 14.138 -9.298 -14.017 1.00 25.00 H new ATOM 0 HA GLN A 40 13.552 -9.249 -11.099 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.023 -10.713 -12.672 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.433 -11.744 -12.811 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.397 -12.321 -10.500 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.370 -10.965 -10.079 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.444 -14.244 -10.625 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.722 -14.519 -10.909 1.00 25.00 H new ATOM 631 N GLY A 41 16.228 -9.521 -12.472 1.00 25.00 N ATOM 632 CA GLY A 41 17.627 -9.903 -12.378 1.00 25.00 C ATOM 633 C GLY A 41 17.864 -11.156 -13.190 1.00 25.00 C ATOM 634 O GLY A 41 18.804 -11.918 -12.951 1.00 25.00 O ATOM 0 H GLY A 41 16.035 -8.719 -13.072 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.261 -9.095 -12.743 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.899 -10.075 -11.337 1.00 25.00 H new ATOM 638 N LEU A 42 16.974 -11.379 -14.140 1.00 25.00 N ATOM 639 CA LEU A 42 17.027 -12.511 -15.043 1.00 25.00 C ATOM 640 C LEU A 42 17.129 -11.922 -16.438 1.00 25.00 C ATOM 641 O LEU A 42 16.185 -11.279 -16.919 1.00 25.00 O ATOM 642 CB LEU A 42 15.756 -13.367 -14.946 1.00 25.00 C ATOM 643 CG LEU A 42 15.500 -14.117 -13.641 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.135 -14.807 -13.716 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.591 -15.158 -13.354 1.00 25.00 C ATOM 0 H LEU A 42 16.178 -10.764 -14.308 1.00 25.00 H new ATOM 0 HA LEU A 42 17.869 -13.158 -14.797 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.900 -12.718 -15.133 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.783 -14.099 -15.753 1.00 25.00 H new ATOM 0 HG LEU A 42 15.515 -13.393 -12.827 1.00 25.00 H new ATOM 0 HD11 LEU A 42 13.947 -15.344 -12.786 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.357 -14.059 -13.866 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.128 -15.510 -14.549 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.370 -15.668 -12.417 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.622 -15.886 -14.165 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.558 -14.660 -13.277 1.00 25.00 H new ATOM 657 N ASP A 43 18.258 -12.150 -17.088 1.00 25.00 N ATOM 658 CA ASP A 43 18.473 -11.642 -18.431 1.00 25.00 C ATOM 659 C ASP A 43 17.413 -12.197 -19.355 1.00 25.00 C ATOM 660 O ASP A 43 17.001 -13.357 -19.253 1.00 25.00 O ATOM 661 CB ASP A 43 19.855 -12.031 -18.955 1.00 25.00 C ATOM 662 CG ASP A 43 20.068 -11.578 -20.398 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.629 -10.449 -20.749 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.588 -12.381 -21.205 1.00 25.00 O ATOM 0 H ASP A 43 19.039 -12.684 -16.707 1.00 25.00 H new ATOM 0 HA ASP A 43 18.411 -10.554 -18.398 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.622 -11.588 -18.319 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.975 -13.113 -18.893 1.00 25.00 H new ATOM 669 N GLY A 44 16.955 -11.347 -20.261 1.00 25.00 N ATOM 670 CA GLY A 44 15.972 -11.761 -21.237 1.00 25.00 C ATOM 671 C GLY A 44 14.537 -11.781 -20.738 1.00 25.00 C ATOM 672 O GLY A 44 13.634 -11.907 -21.546 1.00 25.00 O ATOM 0 H GLY A 44 17.249 -10.373 -20.337 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.032 -11.093 -22.096 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.231 -12.759 -21.590 1.00 25.00 H new ATOM 676 N TRP A 45 14.297 -11.664 -19.444 1.00 25.00 N ATOM 677 CA TRP A 45 12.927 -11.668 -18.923 1.00 25.00 C ATOM 678 C TRP A 45 12.409 -10.239 -18.775 1.00 25.00 C ATOM 679 O TRP A 45 13.106 -9.360 -18.274 1.00 25.00 O ATOM 680 CB TRP A 45 12.865 -12.404 -17.588 1.00 25.00 C ATOM 681 CG TRP A 45 13.010 -13.886 -17.770 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.154 -14.584 -18.002 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.961 -14.885 -17.737 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.911 -15.920 -18.126 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.574 -16.150 -17.968 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.564 -14.832 -17.524 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.838 -17.352 -17.988 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.821 -16.041 -17.538 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.472 -17.288 -17.774 1.00 25.00 C ATOM 0 H TRP A 45 15.022 -11.565 -18.733 1.00 25.00 H new ATOM 0 HA TRP A 45 12.288 -12.193 -19.633 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.655 -12.038 -16.932 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.917 -12.188 -17.096 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.134 -14.136 -18.079 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.616 -16.634 -18.308 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.070 -13.887 -17.353 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.327 -18.298 -18.166 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.755 -16.017 -17.369 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.889 -18.197 -17.786 1.00 25.00 H new ATOM 700 N TRP A 46 11.217 -9.988 -19.290 1.00 25.00 N ATOM 701 CA TRP A 46 10.683 -8.639 -19.373 1.00 25.00 C ATOM 702 C TRP A 46 9.387 -8.554 -18.582 1.00 25.00 C ATOM 703 O TRP A 46 8.665 -9.545 -18.487 1.00 25.00 O ATOM 704 CB TRP A 46 10.410 -8.295 -20.847 1.00 25.00 C ATOM 705 CG TRP A 46 11.645 -8.363 -21.753 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.947 -8.566 -21.396 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.672 -8.225 -23.182 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.778 -8.569 -22.476 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.027 -8.376 -23.596 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.691 -7.992 -24.164 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.413 -8.318 -24.959 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.070 -7.932 -25.522 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.435 -8.109 -25.906 1.00 25.00 C ATOM 0 H TRP A 46 10.596 -10.708 -19.660 1.00 25.00 H new ATOM 0 HA TRP A 46 11.403 -7.934 -18.959 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.654 -8.978 -21.233 1.00 25.00 H new ATOM 0 HB3 TRP A 46 9.990 -7.291 -20.901 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.279 -8.707 -20.378 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.790 -8.694 -22.450 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.657 -7.860 -23.881 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.447 -8.435 -25.247 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.321 -7.751 -26.279 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.703 -8.079 -26.952 1.00 25.00 H new ATOM 724 N LEU A 47 9.094 -7.384 -18.025 1.00 25.00 N ATOM 725 CA LEU A 47 7.844 -7.159 -17.302 1.00 25.00 C ATOM 726 C LEU A 47 6.848 -6.674 -18.316 1.00 25.00 C ATOM 727 O LEU A 47 7.071 -5.643 -18.954 1.00 25.00 O ATOM 728 CB LEU A 47 8.029 -6.094 -16.224 1.00 25.00 C ATOM 729 CG LEU A 47 6.822 -5.851 -15.311 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.504 -7.077 -14.428 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.112 -4.636 -14.434 1.00 25.00 C ATOM 0 H LEU A 47 9.709 -6.571 -18.060 1.00 25.00 H new ATOM 0 HA LEU A 47 7.513 -8.075 -16.812 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.879 -6.377 -15.603 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.288 -5.153 -16.710 1.00 25.00 H new ATOM 0 HG LEU A 47 5.947 -5.673 -15.936 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.642 -6.858 -13.798 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.281 -7.935 -15.063 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.364 -7.305 -13.799 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.262 -4.450 -13.778 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.000 -4.826 -13.832 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.281 -3.764 -15.065 1.00 25.00 H new ATOM 743 N CYS A 48 5.750 -7.393 -18.487 1.00 25.00 N ATOM 744 CA CYS A 48 4.733 -6.997 -19.463 1.00 25.00 C ATOM 745 C CYS A 48 3.391 -6.807 -18.786 1.00 25.00 C ATOM 746 O CYS A 48 3.135 -7.406 -17.748 1.00 25.00 O ATOM 747 CB CYS A 48 4.609 -8.085 -20.523 1.00 25.00 C ATOM 748 SG CYS A 48 6.166 -8.371 -21.356 1.00 25.00 S ATOM 0 H CYS A 48 5.536 -8.246 -17.971 1.00 25.00 H new ATOM 0 HA CYS A 48 5.032 -6.054 -19.922 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.269 -9.010 -20.058 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.852 -7.798 -21.253 1.00 25.00 H new ATOM 0 HG CYS A 48 7.061 -8.741 -20.488 1.00 25.00 H new ATOM 754 N SER A 49 2.528 -6.004 -19.385 1.00 25.00 N ATOM 755 CA SER A 49 1.157 -5.828 -18.911 1.00 25.00 C ATOM 756 C SER A 49 0.189 -6.436 -19.924 1.00 25.00 C ATOM 757 O SER A 49 0.221 -6.091 -21.111 1.00 25.00 O ATOM 758 CB SER A 49 0.854 -4.349 -18.738 1.00 25.00 C ATOM 759 OG SER A 49 1.138 -3.652 -19.930 1.00 25.00 O ATOM 0 H SER A 49 2.754 -5.454 -20.214 1.00 25.00 H new ATOM 0 HA SER A 49 1.041 -6.328 -17.950 1.00 25.00 H new ATOM 0 HB2 SER A 49 -0.194 -4.214 -18.470 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.448 -3.942 -17.920 1.00 25.00 H new ATOM 0 HG SER A 49 0.962 -4.234 -20.699 1.00 25.00 H new ATOM 765 N LEU A 50 -0.667 -7.329 -19.446 1.00 25.00 N ATOM 766 CA LEU A 50 -1.667 -8.012 -20.274 1.00 25.00 C ATOM 767 C LEU A 50 -2.841 -8.394 -19.371 1.00 25.00 C ATOM 768 O LEU A 50 -2.637 -8.703 -18.198 1.00 25.00 O ATOM 769 CB LEU A 50 -1.053 -9.285 -20.883 1.00 25.00 C ATOM 770 CG LEU A 50 -1.898 -10.040 -21.916 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.174 -9.183 -23.157 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.182 -11.318 -22.315 1.00 25.00 C ATOM 0 H LEU A 50 -0.692 -7.606 -18.465 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.000 -7.361 -21.082 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.107 -9.014 -21.352 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.820 -9.972 -20.069 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.859 -10.279 -21.461 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.775 -9.752 -23.866 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.714 -8.282 -22.864 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.229 -8.904 -23.624 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.781 -11.857 -23.049 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.212 -11.072 -22.748 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.038 -11.944 -21.435 1.00 25.00 H new ATOM 784 N HIS A 51 -4.061 -8.319 -19.896 1.00 25.00 N ATOM 785 CA HIS A 51 -5.295 -8.618 -19.132 1.00 25.00 C ATOM 786 C HIS A 51 -5.448 -7.733 -17.875 1.00 25.00 C ATOM 787 O HIS A 51 -6.066 -8.122 -16.884 1.00 25.00 O ATOM 788 CB HIS A 51 -5.325 -10.109 -18.754 1.00 25.00 C ATOM 789 CG HIS A 51 -6.709 -10.691 -18.690 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.089 -11.839 -19.347 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.830 -10.278 -18.031 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.364 -12.077 -19.062 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.871 -11.158 -18.267 1.00 25.00 N ATOM 0 H HIS A 51 -4.235 -8.050 -20.864 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.143 -8.387 -19.777 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.738 -10.670 -19.481 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.841 -10.239 -17.786 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.895 -9.393 -17.415 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.919 -12.924 -19.438 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.823 -11.106 -17.904 1.00 25.00 H new ATOM 801 N GLY A 52 -4.848 -6.545 -17.903 1.00 25.00 N ATOM 802 CA GLY A 52 -4.945 -5.641 -16.765 1.00 25.00 C ATOM 803 C GLY A 52 -4.032 -5.990 -15.606 1.00 25.00 C ATOM 804 O GLY A 52 -4.156 -5.413 -14.531 1.00 25.00 O ATOM 0 H GLY A 52 -4.299 -6.192 -18.687 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.716 -4.629 -17.100 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.975 -5.633 -16.410 1.00 25.00 H new ATOM 808 N ARG A 53 -3.128 -6.940 -15.817 1.00 25.00 N ATOM 809 CA ARG A 53 -2.174 -7.364 -14.797 1.00 25.00 C ATOM 810 C ARG A 53 -0.770 -7.326 -15.364 1.00 25.00 C ATOM 811 O ARG A 53 -0.597 -7.323 -16.576 1.00 25.00 O ATOM 812 CB ARG A 53 -2.475 -8.784 -14.325 1.00 25.00 C ATOM 813 CG ARG A 53 -3.820 -8.929 -13.632 1.00 25.00 C ATOM 814 CD ARG A 53 -3.923 -10.267 -12.928 1.00 25.00 C ATOM 815 NE ARG A 53 -2.989 -10.358 -11.785 1.00 25.00 N ATOM 816 CZ ARG A 53 -2.975 -11.328 -10.876 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.826 -12.324 -10.906 1.00 25.00 N ATOM 818 NH2 ARG A 53 -2.096 -11.301 -9.920 1.00 25.00 N ATOM 0 H ARG A 53 -3.035 -7.439 -16.702 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.258 -6.683 -13.950 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.445 -9.456 -15.183 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.688 -9.104 -13.642 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.951 -8.123 -12.910 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.623 -8.835 -14.363 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -4.944 -10.415 -12.576 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.710 -11.068 -13.636 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.298 -9.614 -11.686 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -4.529 -12.372 -11.644 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -3.786 -13.051 -10.192 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -1.421 -10.538 -9.869 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -2.081 -12.043 -9.220 1.00 25.00 H new ATOM 832 N GLN A 54 0.215 -7.348 -14.484 1.00 25.00 N ATOM 833 CA GLN A 54 1.610 -7.355 -14.898 1.00 25.00 C ATOM 834 C GLN A 54 2.228 -8.660 -14.445 1.00 25.00 C ATOM 835 O GLN A 54 1.829 -9.203 -13.426 1.00 25.00 O ATOM 836 CB GLN A 54 2.385 -6.179 -14.290 1.00 25.00 C ATOM 837 CG GLN A 54 1.895 -4.803 -14.741 1.00 25.00 C ATOM 838 CD GLN A 54 0.669 -4.318 -13.988 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.417 -4.295 -14.522 1.00 25.00 O ATOM 840 NE2 GLN A 54 0.851 -3.903 -12.754 1.00 25.00 N ATOM 0 H GLN A 54 0.075 -7.361 -13.474 1.00 25.00 H new ATOM 0 HA GLN A 54 1.660 -7.254 -15.982 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.318 -6.238 -13.204 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.439 -6.280 -14.550 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.700 -4.080 -14.612 1.00 25.00 H new ATOM 0 HG3 GLN A 54 1.666 -4.839 -15.806 1.00 25.00 H new ATOM 0 HE21 GLN A 54 1.781 -3.937 -12.336 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.062 -3.547 -12.214 1.00 25.00 H new ATOM 849 N GLY A 55 3.203 -9.134 -15.197 1.00 25.00 N ATOM 850 CA GLY A 55 3.901 -10.357 -14.834 1.00 25.00 C ATOM 851 C GLY A 55 5.121 -10.502 -15.711 1.00 25.00 C ATOM 852 O GLY A 55 5.290 -9.718 -16.658 1.00 25.00 O ATOM 0 H GLY A 55 3.530 -8.696 -16.058 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.193 -10.327 -13.784 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.243 -11.217 -14.958 1.00 25.00 H new ATOM 856 N ILE A 56 5.975 -11.462 -15.406 1.00 25.00 N ATOM 857 CA ILE A 56 7.214 -11.642 -16.156 1.00 25.00 C ATOM 858 C ILE A 56 6.970 -12.529 -17.372 1.00 25.00 C ATOM 859 O ILE A 56 6.115 -13.422 -17.363 1.00 25.00 O ATOM 860 CB ILE A 56 8.381 -12.195 -15.258 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.141 -13.661 -14.839 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.562 -11.291 -14.014 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.301 -14.307 -14.072 1.00 25.00 C ATOM 0 H ILE A 56 5.838 -12.130 -14.647 1.00 25.00 H new ATOM 0 HA ILE A 56 7.537 -10.661 -16.504 1.00 25.00 H new ATOM 0 HB ILE A 56 9.297 -12.178 -15.849 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.245 -13.706 -14.220 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.941 -14.252 -15.733 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.372 -11.680 -13.396 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.804 -10.277 -14.333 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.638 -11.279 -13.436 1.00 25.00 H new ATOM 0 HD11 ILE A 56 9.042 -15.335 -13.820 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.197 -14.300 -14.693 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.490 -13.745 -13.157 1.00 25.00 H new ATOM 875 N VAL A 57 7.696 -12.242 -18.438 1.00 25.00 N ATOM 876 CA VAL A 57 7.579 -12.947 -19.710 1.00 25.00 C ATOM 877 C VAL A 57 8.984 -13.164 -20.295 1.00 25.00 C ATOM 878 O VAL A 57 9.787 -12.228 -20.334 1.00 25.00 O ATOM 879 CB VAL A 57 6.747 -12.081 -20.720 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.810 -12.665 -22.131 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.269 -11.956 -20.283 1.00 25.00 C ATOM 0 H VAL A 57 8.396 -11.501 -18.448 1.00 25.00 H new ATOM 0 HA VAL A 57 7.083 -13.904 -19.547 1.00 25.00 H new ATOM 0 HB VAL A 57 7.195 -11.087 -20.724 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.224 -12.044 -22.808 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.846 -12.692 -22.468 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.404 -13.677 -22.124 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.725 -11.349 -21.007 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.820 -12.948 -20.231 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.218 -11.483 -19.302 1.00 25.00 H new ATOM 891 N PRO A 58 9.300 -14.382 -20.776 1.00 25.00 N ATOM 892 CA PRO A 58 10.598 -14.472 -21.445 1.00 25.00 C ATOM 893 C PRO A 58 10.577 -13.692 -22.771 1.00 25.00 C ATOM 894 O PRO A 58 9.824 -14.010 -23.700 1.00 25.00 O ATOM 895 CB PRO A 58 10.774 -15.976 -21.640 1.00 25.00 C ATOM 896 CG PRO A 58 9.378 -16.509 -21.762 1.00 25.00 C ATOM 897 CD PRO A 58 8.565 -15.664 -20.828 1.00 25.00 C ATOM 0 HA PRO A 58 11.424 -14.034 -20.885 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.361 -16.194 -22.533 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.298 -16.426 -20.797 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.013 -16.431 -22.786 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.331 -17.562 -21.486 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.548 -15.527 -21.196 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.488 -16.120 -19.841 1.00 25.00 H new ATOM 905 N GLY A 59 11.379 -12.644 -22.851 1.00 25.00 N ATOM 906 CA GLY A 59 11.356 -11.733 -23.988 1.00 25.00 C ATOM 907 C GLY A 59 11.811 -12.330 -25.292 1.00 25.00 C ATOM 908 O GLY A 59 11.493 -11.803 -26.350 1.00 25.00 O ATOM 0 H GLY A 59 12.062 -12.399 -22.134 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.340 -11.357 -24.113 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.987 -10.875 -23.759 1.00 25.00 H new ATOM 912 N ASN A 60 12.507 -13.454 -25.257 1.00 25.00 N ATOM 913 CA ASN A 60 12.898 -14.137 -26.487 1.00 25.00 C ATOM 914 C ASN A 60 11.678 -14.720 -27.218 1.00 25.00 C ATOM 915 O ASN A 60 11.727 -15.010 -28.406 1.00 25.00 O ATOM 916 CB ASN A 60 13.910 -15.244 -26.197 1.00 25.00 C ATOM 917 CG ASN A 60 14.603 -15.731 -27.453 1.00 25.00 C ATOM 918 OD1 ASN A 60 14.926 -14.958 -28.338 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.857 -17.016 -27.526 1.00 25.00 N ATOM 0 H ASN A 60 12.813 -13.913 -24.399 1.00 25.00 H new ATOM 0 HA ASN A 60 13.363 -13.395 -27.136 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.656 -14.876 -25.492 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.403 -16.081 -25.717 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.339 -17.395 -28.341 1.00 25.00 H new ATOM 0 HD22 ASN A 60 14.573 -17.636 -26.767 1.00 25.00 H new ATOM 926 N ARG A 61 10.562 -14.861 -26.507 1.00 25.00 N ATOM 927 CA ARG A 61 9.325 -15.317 -27.146 1.00 25.00 C ATOM 928 C ARG A 61 8.506 -14.125 -27.650 1.00 25.00 C ATOM 929 O ARG A 61 7.372 -14.321 -28.108 1.00 25.00 O ATOM 930 CB ARG A 61 8.467 -16.125 -26.162 1.00 25.00 C ATOM 931 CG ARG A 61 9.118 -17.393 -25.641 1.00 25.00 C ATOM 932 CD ARG A 61 8.062 -18.297 -25.050 1.00 25.00 C ATOM 933 NE ARG A 61 8.615 -19.370 -24.205 1.00 25.00 N ATOM 934 CZ ARG A 61 7.902 -20.340 -23.641 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.614 -20.464 -23.844 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.483 -21.200 -22.853 1.00 25.00 N ATOM 0 H ARG A 61 10.485 -14.671 -25.508 1.00 25.00 H new ATOM 0 HA ARG A 61 9.605 -15.951 -27.987 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.215 -15.488 -25.314 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.530 -16.390 -26.652 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.639 -17.905 -26.450 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.865 -17.147 -24.886 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.372 -17.697 -24.457 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.483 -18.743 -25.858 1.00 25.00 H new ATOM 0 HE ARG A 61 9.622 -19.368 -24.040 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.128 -19.804 -24.451 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.097 -21.220 -23.395 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.484 -21.128 -22.669 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.937 -21.945 -22.420 1.00 25.00 H new ATOM 950 N LEU A 62 9.057 -12.926 -27.550 1.00 25.00 N ATOM 951 CA LEU A 62 8.359 -11.702 -27.939 1.00 25.00 C ATOM 952 C LEU A 62 9.086 -10.985 -29.073 1.00 25.00 C ATOM 953 O LEU A 62 10.298 -11.056 -29.181 1.00 25.00 O ATOM 954 CB LEU A 62 8.285 -10.731 -26.757 1.00 25.00 C ATOM 955 CG LEU A 62 7.519 -11.147 -25.483 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.634 -10.018 -24.453 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.053 -11.431 -25.791 1.00 25.00 C ATOM 0 H LEU A 62 10.001 -12.769 -27.197 1.00 25.00 H new ATOM 0 HA LEU A 62 7.361 -11.996 -28.264 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.308 -10.496 -26.462 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.837 -9.806 -27.121 1.00 25.00 H new ATOM 0 HG LEU A 62 7.955 -12.064 -25.086 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.097 -10.297 -23.546 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.684 -9.848 -24.215 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.202 -9.105 -24.864 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.538 -11.722 -24.875 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.587 -10.535 -26.200 1.00 25.00 H new ATOM 0 HD23 LEU A 62 5.984 -12.240 -26.518 1.00 25.00 H new ATOM 969 N LYS A 63 8.337 -10.256 -29.881 1.00 25.00 N ATOM 970 CA LYS A 63 8.905 -9.419 -30.935 1.00 25.00 C ATOM 971 C LYS A 63 8.456 -7.985 -30.704 1.00 25.00 C ATOM 972 O LYS A 63 7.266 -7.704 -30.754 1.00 25.00 O ATOM 973 CB LYS A 63 8.428 -9.900 -32.300 1.00 25.00 C ATOM 974 CG LYS A 63 9.020 -9.163 -33.498 1.00 25.00 C ATOM 975 CD LYS A 63 10.487 -9.516 -33.707 1.00 25.00 C ATOM 976 CE LYS A 63 11.011 -8.860 -34.978 1.00 25.00 C ATOM 977 NZ LYS A 63 12.398 -9.346 -35.310 1.00 25.00 N ATOM 0 H LYS A 63 7.319 -10.224 -29.829 1.00 25.00 H new ATOM 0 HA LYS A 63 9.993 -9.479 -30.911 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.663 -10.960 -32.395 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.343 -9.809 -32.339 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.454 -9.413 -34.395 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.922 -8.088 -33.349 1.00 25.00 H new ATOM 0 HD2 LYS A 63 11.074 -9.185 -32.850 1.00 25.00 H new ATOM 0 HD3 LYS A 63 10.602 -10.598 -33.774 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.338 -9.079 -35.807 1.00 25.00 H new ATOM 0 HE3 LYS A 63 11.022 -7.777 -34.853 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 12.729 -8.882 -36.180 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 13.043 -9.115 -34.528 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 12.380 -10.376 -35.452 1.00 25.00 H new ATOM 991 N ILE A 64 9.407 -7.095 -30.463 1.00 25.00 N ATOM 992 CA ILE A 64 9.132 -5.663 -30.278 1.00 25.00 C ATOM 993 C ILE A 64 8.465 -5.148 -31.546 1.00 25.00 C ATOM 994 O ILE A 64 8.902 -5.468 -32.657 1.00 25.00 O ATOM 995 CB ILE A 64 10.457 -4.851 -30.000 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.132 -5.317 -28.685 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.177 -3.325 -29.967 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.383 -4.943 -27.378 1.00 25.00 C ATOM 0 H ILE A 64 10.395 -7.337 -30.389 1.00 25.00 H new ATOM 0 HA ILE A 64 8.482 -5.529 -29.413 1.00 25.00 H new ATOM 0 HB ILE A 64 11.147 -5.050 -30.820 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.246 -6.400 -28.720 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.135 -4.892 -28.642 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.106 -2.789 -29.774 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.769 -3.009 -30.927 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.459 -3.104 -29.177 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.941 -5.316 -26.519 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.292 -3.859 -27.308 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.389 -5.391 -27.387 1.00 25.00 H new ATOM 1010 N LEU A 65 7.393 -4.390 -31.361 1.00 25.00 N ATOM 1011 CA LEU A 65 6.613 -3.831 -32.461 1.00 25.00 C ATOM 1012 C LEU A 65 7.063 -2.386 -32.706 1.00 25.00 C ATOM 1013 O LEU A 65 8.088 -1.954 -32.199 1.00 25.00 O ATOM 1014 CB LEU A 65 5.115 -3.921 -32.122 1.00 25.00 C ATOM 1015 CG LEU A 65 4.276 -4.809 -33.060 1.00 25.00 C ATOM 1016 CD1 LEU A 65 4.787 -6.255 -33.100 1.00 25.00 C ATOM 1017 CD2 LEU A 65 2.822 -4.825 -32.599 1.00 25.00 C ATOM 0 H LEU A 65 7.036 -4.143 -30.438 1.00 25.00 H new ATOM 0 HA LEU A 65 6.777 -4.396 -33.379 1.00 25.00 H new ATOM 0 HB2 LEU A 65 5.012 -4.298 -31.105 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.697 -2.915 -32.132 1.00 25.00 H new ATOM 0 HG LEU A 65 4.361 -4.384 -34.060 1.00 25.00 H new ATOM 0 HD11 LEU A 65 4.164 -6.843 -33.774 1.00 25.00 H new ATOM 0 HD12 LEU A 65 5.818 -6.267 -33.455 1.00 25.00 H new ATOM 0 HD13 LEU A 65 4.743 -6.684 -32.099 1.00 25.00 H new ATOM 0 HD21 LEU A 65 2.235 -5.455 -33.267 1.00 25.00 H new ATOM 0 HD22 LEU A 65 2.766 -5.221 -31.585 1.00 25.00 H new ATOM 0 HD23 LEU A 65 2.424 -3.810 -32.615 1.00 25.00 H new ATOM 1029 N VAL A 66 6.332 -1.671 -33.539 1.00 25.00 N ATOM 1030 CA VAL A 66 6.707 -0.291 -33.878 1.00 25.00 C ATOM 1031 C VAL A 66 6.662 0.630 -32.646 1.00 25.00 C ATOM 1032 O VAL A 66 5.831 0.440 -31.752 1.00 25.00 O ATOM 1033 CB VAL A 66 5.763 0.283 -34.995 1.00 25.00 C ATOM 1034 CG1 VAL A 66 5.958 -0.524 -36.298 1.00 25.00 C ATOM 1035 CG2 VAL A 66 4.271 0.217 -34.568 1.00 25.00 C ATOM 0 H VAL A 66 5.483 -2.007 -33.994 1.00 25.00 H new ATOM 0 HA VAL A 66 7.732 -0.320 -34.249 1.00 25.00 H new ATOM 0 HB VAL A 66 6.025 1.329 -35.155 1.00 25.00 H new ATOM 0 HG11 VAL A 66 5.303 -0.126 -37.074 1.00 25.00 H new ATOM 0 HG12 VAL A 66 6.995 -0.445 -36.623 1.00 25.00 H new ATOM 0 HG13 VAL A 66 5.713 -1.571 -36.118 1.00 25.00 H new ATOM 0 HG21 VAL A 66 3.646 0.622 -35.364 1.00 25.00 H new ATOM 0 HG22 VAL A 66 3.992 -0.820 -34.380 1.00 25.00 H new ATOM 0 HG23 VAL A 66 4.126 0.802 -33.660 1.00 25.00 H new ATOM 1045 N GLY A 67 7.541 1.629 -32.613 1.00 25.00 N ATOM 1046 CA GLY A 67 7.590 2.558 -31.486 1.00 25.00 C ATOM 1047 C GLY A 67 9.006 2.986 -31.118 1.00 25.00 C ATOM 1048 O GLY A 67 9.750 2.229 -30.507 1.00 25.00 O ATOM 0 H GLY A 67 8.224 1.815 -33.347 1.00 25.00 H new ATOM 0 HA2 GLY A 67 7.002 3.443 -31.728 1.00 25.00 H new ATOM 0 HA3 GLY A 67 7.122 2.092 -30.619 1.00 25.00 H new ATOM 1052 N MET A 68 9.371 4.217 -31.476 1.00 25.00 N ATOM 1053 CA MET A 68 10.674 4.805 -31.132 1.00 25.00 C ATOM 1054 C MET A 68 10.409 6.254 -30.753 1.00 25.00 C ATOM 1055 O MET A 68 9.446 6.840 -31.235 1.00 25.00 O ATOM 1056 CB MET A 68 11.651 4.771 -32.325 1.00 25.00 C ATOM 1057 CG MET A 68 12.087 3.373 -32.752 1.00 25.00 C ATOM 1058 SD MET A 68 11.029 2.676 -34.051 1.00 25.00 S ATOM 1059 CE MET A 68 11.809 1.091 -34.306 1.00 25.00 C ATOM 0 H MET A 68 8.771 4.841 -32.016 1.00 25.00 H new ATOM 0 HA MET A 68 11.131 4.237 -30.321 1.00 25.00 H new ATOM 0 HB2 MET A 68 11.182 5.266 -33.175 1.00 25.00 H new ATOM 0 HB3 MET A 68 12.538 5.351 -32.068 1.00 25.00 H new ATOM 0 HG2 MET A 68 13.116 3.411 -33.109 1.00 25.00 H new ATOM 0 HG3 MET A 68 12.074 2.712 -31.885 1.00 25.00 H new ATOM 0 HE1 MET A 68 11.272 0.541 -35.079 1.00 25.00 H new ATOM 0 HE2 MET A 68 12.842 1.240 -34.619 1.00 25.00 H new ATOM 0 HE3 MET A 68 11.790 0.522 -33.376 1.00 25.00 H new ATOM 1069 N TYR A 69 11.247 6.841 -29.913 1.00 25.00 N ATOM 1070 CA TYR A 69 11.138 8.265 -29.620 1.00 25.00 C ATOM 1071 C TYR A 69 11.815 9.006 -30.767 1.00 25.00 C ATOM 1072 O TYR A 69 12.961 8.708 -31.107 1.00 25.00 O ATOM 1073 CB TYR A 69 11.807 8.592 -28.289 1.00 25.00 C ATOM 1074 CG TYR A 69 11.766 10.067 -27.959 1.00 25.00 C ATOM 1075 CD1 TYR A 69 10.541 10.718 -27.702 1.00 25.00 C ATOM 1076 CD2 TYR A 69 12.961 10.825 -27.922 1.00 25.00 C ATOM 1077 CE1 TYR A 69 10.512 12.112 -27.401 1.00 25.00 C ATOM 1078 CE2 TYR A 69 12.927 12.216 -27.621 1.00 25.00 C ATOM 1079 CZ TYR A 69 11.704 12.843 -27.353 1.00 25.00 C ATOM 1080 OH TYR A 69 11.674 14.178 -27.036 1.00 25.00 O ATOM 0 H TYR A 69 12.004 6.361 -29.425 1.00 25.00 H new ATOM 0 HA TYR A 69 10.094 8.566 -29.532 1.00 25.00 H new ATOM 0 HB2 TYR A 69 11.315 8.033 -27.493 1.00 25.00 H new ATOM 0 HB3 TYR A 69 12.845 8.260 -28.318 1.00 25.00 H new ATOM 0 HD1 TYR A 69 9.619 10.157 -27.733 1.00 25.00 H new ATOM 0 HD2 TYR A 69 13.907 10.344 -28.124 1.00 25.00 H new ATOM 0 HE1 TYR A 69 9.569 12.603 -27.210 1.00 25.00 H new ATOM 0 HE2 TYR A 69 13.843 12.787 -27.599 1.00 25.00 H new ATOM 0 HH TYR A 69 12.586 14.537 -27.045 1.00 25.00 H new ATOM 1090 N ASP A 70 11.083 9.927 -31.380 1.00 25.00 N ATOM 1091 CA ASP A 70 11.559 10.671 -32.537 1.00 25.00 C ATOM 1092 C ASP A 70 10.825 12.013 -32.543 1.00 25.00 C ATOM 1093 O ASP A 70 9.757 12.130 -31.917 1.00 25.00 O ATOM 1094 CB ASP A 70 11.241 9.890 -33.824 1.00 25.00 C ATOM 1095 CG ASP A 70 11.984 10.443 -35.054 1.00 25.00 C ATOM 1096 OD1 ASP A 70 11.647 10.021 -36.180 1.00 25.00 O ATOM 1097 OD2 ASP A 70 12.858 11.329 -34.901 1.00 25.00 O ATOM 0 H ASP A 70 10.139 10.179 -31.087 1.00 25.00 H new ATOM 0 HA ASP A 70 12.637 10.821 -32.489 1.00 25.00 H new ATOM 0 HB2 ASP A 70 11.508 8.843 -33.684 1.00 25.00 H new ATOM 0 HB3 ASP A 70 10.167 9.923 -34.008 1.00 25.00 H new ATOM 1102 N LYS A 71 11.368 12.991 -33.262 1.00 25.00 N ATOM 1103 CA LYS A 71 10.785 14.345 -33.420 1.00 25.00 C ATOM 1104 C LYS A 71 10.666 15.121 -32.112 1.00 25.00 C ATOM 1105 O LYS A 71 11.268 14.801 -31.100 1.00 25.00 O ATOM 1106 CB LYS A 71 9.403 14.254 -34.121 1.00 25.00 C ATOM 1107 CG LYS A 71 9.440 13.484 -35.435 1.00 25.00 C ATOM 1108 CD LYS A 71 8.090 13.455 -36.120 1.00 25.00 C ATOM 1109 CE LYS A 71 8.145 12.610 -37.386 1.00 25.00 C ATOM 1110 NZ LYS A 71 6.799 12.557 -38.054 1.00 25.00 N ATOM 0 H LYS A 71 12.246 12.874 -33.768 1.00 25.00 H new ATOM 0 HA LYS A 71 11.482 14.907 -34.041 1.00 25.00 H new ATOM 0 HB2 LYS A 71 8.693 13.774 -33.447 1.00 25.00 H new ATOM 0 HB3 LYS A 71 9.032 15.262 -34.309 1.00 25.00 H new ATOM 0 HG2 LYS A 71 10.173 13.940 -36.100 1.00 25.00 H new ATOM 0 HG3 LYS A 71 9.772 12.463 -35.246 1.00 25.00 H new ATOM 0 HD2 LYS A 71 7.340 13.051 -35.440 1.00 25.00 H new ATOM 0 HD3 LYS A 71 7.781 14.470 -36.368 1.00 25.00 H new ATOM 0 HE2 LYS A 71 8.881 13.026 -38.074 1.00 25.00 H new ATOM 0 HE3 LYS A 71 8.474 11.600 -37.140 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 6.861 11.976 -38.914 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 6.104 12.139 -37.403 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 6.499 13.520 -38.308 1.00 25.00 H new ATOM 1124 N LYS A 72 9.925 16.210 -32.188 1.00 25.00 N ATOM 1125 CA LYS A 72 9.710 17.094 -31.039 1.00 25.00 C ATOM 1126 C LYS A 72 8.878 16.344 -30.000 1.00 25.00 C ATOM 1127 O LYS A 72 8.116 15.434 -30.350 1.00 25.00 O ATOM 1128 CB LYS A 72 8.994 18.353 -31.533 1.00 25.00 C ATOM 1129 CG LYS A 72 7.613 18.072 -32.165 1.00 25.00 C ATOM 1130 CD LYS A 72 7.113 19.303 -32.902 1.00 25.00 C ATOM 1131 CE LYS A 72 5.749 19.035 -33.543 1.00 25.00 C ATOM 1132 NZ LYS A 72 5.282 20.206 -34.363 1.00 25.00 N ATOM 0 H LYS A 72 9.453 16.513 -33.040 1.00 25.00 H new ATOM 0 HA LYS A 72 10.651 17.389 -30.575 1.00 25.00 H new ATOM 0 HB2 LYS A 72 8.868 19.041 -30.697 1.00 25.00 H new ATOM 0 HB3 LYS A 72 9.625 18.855 -32.267 1.00 25.00 H new ATOM 0 HG2 LYS A 72 7.685 17.231 -32.854 1.00 25.00 H new ATOM 0 HG3 LYS A 72 6.901 17.789 -31.390 1.00 25.00 H new ATOM 0 HD2 LYS A 72 7.036 20.141 -32.209 1.00 25.00 H new ATOM 0 HD3 LYS A 72 7.831 19.589 -33.670 1.00 25.00 H new ATOM 0 HE2 LYS A 72 5.811 18.149 -34.175 1.00 25.00 H new ATOM 0 HE3 LYS A 72 5.017 18.820 -32.765 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 4.355 19.989 -34.782 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 5.199 21.045 -33.754 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 5.969 20.395 -35.121 1.00 25.00 H new ATOM 1146 N PRO A 73 8.994 16.736 -28.715 1.00 25.00 N ATOM 1147 CA PRO A 73 8.235 16.028 -27.679 1.00 25.00 C ATOM 1148 C PRO A 73 6.727 16.235 -27.777 1.00 25.00 C ATOM 1149 O PRO A 73 6.246 17.084 -28.535 1.00 25.00 O ATOM 1150 CB PRO A 73 8.795 16.616 -26.388 1.00 25.00 C ATOM 1151 CG PRO A 73 9.198 17.964 -26.750 1.00 25.00 C ATOM 1152 CD PRO A 73 9.807 17.819 -28.116 1.00 25.00 C ATOM 0 HA PRO A 73 8.347 14.947 -27.761 1.00 25.00 H new ATOM 0 HB2 PRO A 73 8.045 16.624 -25.597 1.00 25.00 H new ATOM 0 HB3 PRO A 73 9.640 16.034 -26.020 1.00 25.00 H new ATOM 0 HG2 PRO A 73 8.345 18.643 -26.765 1.00 25.00 H new ATOM 0 HG3 PRO A 73 9.915 18.369 -26.036 1.00 25.00 H new ATOM 0 HD2 PRO A 73 9.739 18.743 -28.691 1.00 25.00 H new ATOM 0 HD3 PRO A 73 10.863 17.553 -28.064 1.00 25.00 H new ATOM 1160 N ALA A 74 5.995 15.452 -27.000 1.00 25.00 N ATOM 1161 CA ALA A 74 4.538 15.488 -26.998 1.00 25.00 C ATOM 1162 C ALA A 74 4.020 16.866 -26.573 1.00 25.00 C ATOM 1163 O ALA A 74 4.610 17.543 -25.733 1.00 25.00 O ATOM 1164 CB ALA A 74 3.987 14.409 -26.043 1.00 25.00 C ATOM 0 H ALA A 74 6.393 14.772 -26.352 1.00 25.00 H new ATOM 0 HA ALA A 74 4.193 15.289 -28.013 1.00 25.00 H new ATOM 0 HB1 ALA A 74 2.898 14.442 -26.047 1.00 25.00 H new ATOM 0 HB2 ALA A 74 4.321 13.426 -26.373 1.00 25.00 H new ATOM 0 HB3 ALA A 74 4.352 14.596 -25.033 1.00 25.00 H new ATOM 1170 N GLY A 75 2.890 17.256 -27.150 1.00 25.00 N ATOM 1171 CA GLY A 75 2.292 18.542 -26.854 1.00 25.00 C ATOM 1172 C GLY A 75 1.269 18.516 -25.740 1.00 25.00 C ATOM 1173 O GLY A 75 0.118 18.892 -25.959 1.00 25.00 O ATOM 0 H GLY A 75 2.372 16.695 -27.826 1.00 25.00 H new ATOM 0 HA2 GLY A 75 3.083 19.244 -26.588 1.00 25.00 H new ATOM 0 HA3 GLY A 75 1.817 18.924 -27.758 1.00 25.00 H new ATOM 1177 N GLU A 76 1.655 18.043 -24.566 1.00 25.00 N ATOM 1178 CA GLU A 76 0.739 18.031 -23.430 1.00 25.00 C ATOM 1179 C GLU A 76 0.788 19.392 -22.713 1.00 25.00 C ATOM 1180 O GLU A 76 1.851 19.832 -22.271 1.00 25.00 O ATOM 1181 CB GLU A 76 1.050 16.863 -22.487 1.00 25.00 C ATOM 1182 CG GLU A 76 2.497 16.746 -22.006 1.00 25.00 C ATOM 1183 CD GLU A 76 2.701 15.522 -21.128 1.00 25.00 C ATOM 1184 OE1 GLU A 76 2.602 15.639 -19.882 1.00 25.00 O ATOM 1185 OE2 GLU A 76 2.992 14.440 -21.684 1.00 25.00 O ATOM 0 H GLU A 76 2.583 17.666 -24.373 1.00 25.00 H new ATOM 0 HA GLU A 76 -0.279 17.877 -23.787 1.00 25.00 H new ATOM 0 HB2 GLU A 76 0.405 16.948 -21.613 1.00 25.00 H new ATOM 0 HB3 GLU A 76 0.781 15.935 -22.992 1.00 25.00 H new ATOM 0 HG2 GLU A 76 3.163 16.691 -22.867 1.00 25.00 H new ATOM 0 HG3 GLU A 76 2.769 17.643 -21.449 1.00 25.00 H new ATOM 1192 N PHE A 77 -0.340 20.088 -22.676 1.00 25.00 N ATOM 1193 CA PHE A 77 -0.418 21.410 -22.032 1.00 25.00 C ATOM 1194 C PHE A 77 -1.801 21.720 -21.469 1.00 25.00 C ATOM 1195 O PHE A 77 -2.015 22.779 -20.891 1.00 25.00 O ATOM 1196 CB PHE A 77 -0.023 22.507 -23.031 1.00 25.00 C ATOM 1197 CG PHE A 77 -1.050 22.748 -24.119 1.00 25.00 C ATOM 1198 CD1 PHE A 77 -1.050 21.976 -25.287 1.00 25.00 C ATOM 1199 CD2 PHE A 77 -2.021 23.765 -23.975 1.00 25.00 C ATOM 1200 CE1 PHE A 77 -2.015 22.193 -26.303 1.00 25.00 C ATOM 1201 CE2 PHE A 77 -2.985 23.996 -24.980 1.00 25.00 C ATOM 1202 CZ PHE A 77 -2.977 23.197 -26.157 1.00 25.00 C ATOM 0 H PHE A 77 -1.219 19.767 -23.082 1.00 25.00 H new ATOM 0 HA PHE A 77 0.278 21.387 -21.193 1.00 25.00 H new ATOM 0 HB2 PHE A 77 0.141 23.437 -22.487 1.00 25.00 H new ATOM 0 HB3 PHE A 77 0.926 22.238 -23.495 1.00 25.00 H new ATOM 0 HD1 PHE A 77 -0.305 21.205 -25.416 1.00 25.00 H new ATOM 0 HD2 PHE A 77 -2.025 24.374 -23.083 1.00 25.00 H new ATOM 0 HE1 PHE A 77 -2.007 21.581 -27.193 1.00 25.00 H new ATOM 0 HE2 PHE A 77 -3.724 24.774 -24.856 1.00 25.00 H new ATOM 0 HZ PHE A 77 -3.709 23.365 -26.933 1.00 25.00 H new ATOM 1212 N ILE A 78 -2.745 20.811 -21.663 1.00 25.00 N ATOM 1213 CA ILE A 78 -4.131 21.035 -21.255 1.00 25.00 C ATOM 1214 C ILE A 78 -4.331 20.392 -19.888 1.00 25.00 C ATOM 1215 O ILE A 78 -4.077 19.200 -19.717 1.00 25.00 O ATOM 1216 CB ILE A 78 -5.141 20.440 -22.279 1.00 25.00 C ATOM 1217 CG1 ILE A 78 -4.872 21.015 -23.683 1.00 25.00 C ATOM 1218 CG2 ILE A 78 -6.610 20.740 -21.837 1.00 25.00 C ATOM 1219 CD1 ILE A 78 -5.627 20.319 -24.819 1.00 25.00 C ATOM 0 H ILE A 78 -2.579 19.906 -22.102 1.00 25.00 H new ATOM 0 HA ILE A 78 -4.319 22.108 -21.210 1.00 25.00 H new ATOM 0 HB ILE A 78 -5.008 19.359 -22.313 1.00 25.00 H new ATOM 0 HG12 ILE A 78 -5.137 22.072 -23.684 1.00 25.00 H new ATOM 0 HG13 ILE A 78 -3.803 20.954 -23.886 1.00 25.00 H new ATOM 0 HG21 ILE A 78 -7.303 20.317 -22.565 1.00 25.00 H new ATOM 0 HG22 ILE A 78 -6.794 20.295 -20.859 1.00 25.00 H new ATOM 0 HG23 ILE A 78 -6.759 21.818 -21.779 1.00 25.00 H new ATOM 0 HD11 ILE A 78 -5.374 20.793 -25.768 1.00 25.00 H new ATOM 0 HD12 ILE A 78 -5.345 19.267 -24.852 1.00 25.00 H new ATOM 0 HD13 ILE A 78 -6.700 20.402 -24.647 1.00 25.00 H new ATOM 1231 N VAL A 79 -4.765 21.186 -18.925 1.00 25.00 N ATOM 1232 CA VAL A 79 -4.993 20.692 -17.571 1.00 25.00 C ATOM 1233 C VAL A 79 -6.454 20.263 -17.471 1.00 25.00 C ATOM 1234 O VAL A 79 -7.315 20.819 -18.158 1.00 25.00 O ATOM 1235 CB VAL A 79 -4.651 21.766 -16.498 1.00 25.00 C ATOM 1236 CG1 VAL A 79 -3.142 22.068 -16.536 1.00 25.00 C ATOM 1237 CG2 VAL A 79 -5.450 23.070 -16.713 1.00 25.00 C ATOM 0 H VAL A 79 -4.968 22.178 -19.052 1.00 25.00 H new ATOM 0 HA VAL A 79 -4.335 19.846 -17.375 1.00 25.00 H new ATOM 0 HB VAL A 79 -4.929 21.366 -15.523 1.00 25.00 H new ATOM 0 HG11 VAL A 79 -2.902 22.820 -15.784 1.00 25.00 H new ATOM 0 HG12 VAL A 79 -2.583 21.156 -16.327 1.00 25.00 H new ATOM 0 HG13 VAL A 79 -2.871 22.442 -17.523 1.00 25.00 H new ATOM 0 HG21 VAL A 79 -5.181 23.793 -15.943 1.00 25.00 H new ATOM 0 HG22 VAL A 79 -5.216 23.482 -17.695 1.00 25.00 H new ATOM 0 HG23 VAL A 79 -6.517 22.857 -16.654 1.00 25.00 H new ATOM 1247 N THR A 80 -6.733 19.286 -16.618 1.00 25.00 N ATOM 1248 CA THR A 80 -8.106 18.803 -16.422 1.00 25.00 C ATOM 1249 C THR A 80 -8.251 18.193 -15.023 1.00 25.00 C ATOM 1250 O THR A 80 -9.112 18.590 -14.246 1.00 25.00 O ATOM 1251 CB THR A 80 -8.555 17.809 -17.563 1.00 25.00 C ATOM 1252 OG1 THR A 80 -9.788 17.193 -17.200 1.00 25.00 O ATOM 1253 CG2 THR A 80 -7.538 16.709 -17.855 1.00 25.00 C ATOM 0 H THR A 80 -6.033 18.809 -16.049 1.00 25.00 H new ATOM 0 HA THR A 80 -8.783 19.654 -16.491 1.00 25.00 H new ATOM 0 HB THR A 80 -8.654 18.410 -18.467 1.00 25.00 H new ATOM 0 HG1 THR A 80 -10.067 16.577 -17.909 1.00 25.00 H new ATOM 0 HG21 THR A 80 -7.916 16.066 -18.650 1.00 25.00 H new ATOM 0 HG22 THR A 80 -6.596 17.158 -18.169 1.00 25.00 H new ATOM 0 HG23 THR A 80 -7.375 16.116 -16.955 1.00 25.00 H new ATOM 1261 N ASP A 81 -7.349 17.270 -14.667 1.00 25.00 N ATOM 1262 CA ASP A 81 -7.325 16.616 -13.345 1.00 25.00 C ATOM 1263 C ASP A 81 -5.912 16.226 -12.940 1.00 25.00 C ATOM 1264 O ASP A 81 -4.953 16.243 -13.684 1.00 25.00 O ATOM 1265 CB ASP A 81 -8.272 15.389 -13.293 1.00 25.00 C ATOM 1266 CG ASP A 81 -7.661 14.207 -13.976 1.00 25.00 C ATOM 1267 OD1 ASP A 81 -7.128 13.356 -13.295 1.00 25.00 O ATOM 1268 OD2 ASP A 81 -7.709 14.148 -15.185 1.00 25.00 O ATOM 1269 OXT ASP A 81 -5.780 15.951 -11.684 1.00 25.00 O ATOM 0 H ASP A 81 -6.608 16.951 -15.291 1.00 25.00 H new ATOM 0 HA ASP A 81 -7.691 17.347 -12.624 1.00 25.00 H new ATOM 0 HB2 ASP A 81 -8.492 15.139 -12.255 1.00 25.00 H new ATOM 0 HB3 ASP A 81 -9.221 15.638 -13.769 1.00 25.00 H new TER 1275 ASP A 81