USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 39 HIS : no HD1:sc= -5.24! C(o=-6.1!,f=-0.94!) USER MOD Set 1.2: A 74 TYR OH : rot 30:sc= -0.829 USER MOD Set 2.1: A 20 SER OG : rot 15:sc= 0.369 USER MOD Set 2.2: A 33 THR OG1 : rot 93:sc= 1.32 USER MOD Single : A 5 LYS NZ :NH3+ -124:sc= 0.00045 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -178:sc= -2.07 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -0.16 (180deg=-1.09) USER MOD Single : A 15 HIS : no HE2:sc= -1.18 X(o=-1.2,f=-0.68) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.216 (180deg=-0.958) USER MOD Single : A 18 SER OG : rot -54:sc= 0.349 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 26 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.044) USER MOD Single : A 27 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.16) USER MOD Single : A 55 THR OG1 : rot -119:sc= 0.385 USER MOD Single : A 57 ASN : amide:sc= -7.51 K(o=-7.5,f=-6.4!) USER MOD Single : A 63 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.12) USER MOD Single : A 64 SER OG : rot -100:sc= 0.146 USER MOD Single : A 65 THR OG1 : rot -80:sc= 0.679 USER MOD Single : A 71 SER OG : rot 56:sc= -0.83 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -28:sc= 1.13 USER MOD Single : A 80 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-10!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 -6.342 -2.868 43.512 1.00 0.00 N ATOM 19 CA ASP A 3 -6.287 -3.890 42.428 1.00 0.00 C ATOM 20 C ASP A 3 -7.655 -3.993 41.752 1.00 0.00 C ATOM 21 O ASP A 3 -8.545 -3.207 42.014 1.00 0.00 O ATOM 22 CB ASP A 3 -5.908 -5.249 43.027 1.00 0.00 C ATOM 23 CG ASP A 3 -5.034 -6.020 42.038 1.00 0.00 C ATOM 24 OD1 ASP A 3 -3.935 -5.565 41.768 1.00 0.00 O ATOM 25 OD2 ASP A 3 -5.479 -7.054 41.566 1.00 0.00 O ATOM 0 HA ASP A 3 -5.540 -3.597 41.690 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.374 -5.107 43.966 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.808 -5.821 43.255 1.00 0.00 H new ATOM 26 N VAL A 4 -7.827 -4.958 40.884 1.00 0.00 N ATOM 27 CA VAL A 4 -9.134 -5.121 40.184 1.00 0.00 C ATOM 28 C VAL A 4 -10.223 -5.447 41.219 1.00 0.00 C ATOM 29 O VAL A 4 -10.464 -6.596 41.539 1.00 0.00 O ATOM 30 CB VAL A 4 -9.006 -6.250 39.133 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.382 -6.780 38.700 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.294 -5.699 37.899 1.00 0.00 C ATOM 0 H VAL A 4 -7.114 -5.642 40.630 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.411 -4.200 39.671 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.444 -7.068 39.584 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.251 -7.571 37.962 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.909 -7.177 39.568 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.963 -5.968 38.263 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.199 -6.487 37.152 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.872 -4.873 37.484 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.303 -5.343 38.180 1.00 0.00 H new ATOM 33 N LYS A 5 -10.892 -4.441 41.722 1.00 0.00 N ATOM 34 CA LYS A 5 -11.981 -4.680 42.709 1.00 0.00 C ATOM 35 C LYS A 5 -13.283 -4.901 41.939 1.00 0.00 C ATOM 36 O LYS A 5 -13.731 -4.035 41.213 1.00 0.00 O ATOM 37 CB LYS A 5 -12.123 -3.461 43.624 1.00 0.00 C ATOM 38 CG LYS A 5 -12.599 -3.912 45.006 1.00 0.00 C ATOM 39 CD LYS A 5 -13.333 -2.759 45.696 1.00 0.00 C ATOM 40 CE LYS A 5 -14.789 -2.728 45.228 1.00 0.00 C ATOM 41 NZ LYS A 5 -15.408 -1.429 45.617 1.00 0.00 N ATOM 0 H LYS A 5 -10.728 -3.462 41.489 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.752 -5.553 43.320 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.168 -2.943 43.708 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.833 -2.753 43.196 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.261 -4.773 44.911 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.748 -4.229 45.610 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.290 -2.883 46.778 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.845 -1.812 45.464 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.838 -2.857 44.147 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.343 -3.555 45.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.259 -1.607 46.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.728 -0.874 46.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.669 -0.899 44.761 1.00 0.00 H new ATOM 42 N TYR A 6 -13.879 -6.058 42.073 1.00 0.00 N ATOM 43 CA TYR A 6 -15.142 -6.339 41.326 1.00 0.00 C ATOM 44 C TYR A 6 -16.324 -5.684 42.039 1.00 0.00 C ATOM 45 O TYR A 6 -16.362 -5.597 43.252 1.00 0.00 O ATOM 46 CB TYR A 6 -15.371 -7.848 41.243 1.00 0.00 C ATOM 47 CG TYR A 6 -14.131 -8.519 40.694 1.00 0.00 C ATOM 48 CD1 TYR A 6 -13.924 -8.586 39.310 1.00 0.00 C ATOM 49 CD2 TYR A 6 -13.186 -9.071 41.570 1.00 0.00 C ATOM 50 CE1 TYR A 6 -12.775 -9.203 38.802 1.00 0.00 C ATOM 51 CE2 TYR A 6 -12.037 -9.687 41.061 1.00 0.00 C ATOM 52 CZ TYR A 6 -11.831 -9.753 39.678 1.00 0.00 C ATOM 53 OH TYR A 6 -10.698 -10.362 39.177 1.00 0.00 O ATOM 0 H TYR A 6 -13.547 -6.819 42.666 1.00 0.00 H new ATOM 0 HA TYR A 6 -15.056 -5.930 40.319 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.605 -8.246 42.231 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -16.227 -8.062 40.602 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -14.652 -8.161 38.634 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.345 -9.021 42.637 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.617 -9.255 37.735 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -11.309 -10.112 41.736 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.147 -10.689 39.919 1.00 0.00 H new ATOM 54 N TYR A 7 -17.287 -5.222 41.285 1.00 0.00 N ATOM 55 CA TYR A 7 -18.481 -4.564 41.900 1.00 0.00 C ATOM 56 C TYR A 7 -19.720 -5.405 41.589 1.00 0.00 C ATOM 57 O TYR A 7 -19.944 -5.800 40.461 1.00 0.00 O ATOM 58 CB TYR A 7 -18.666 -3.151 41.321 1.00 0.00 C ATOM 59 CG TYR A 7 -17.324 -2.455 41.189 1.00 0.00 C ATOM 60 CD1 TYR A 7 -16.487 -2.758 40.107 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.917 -1.514 42.143 1.00 0.00 C ATOM 62 CE1 TYR A 7 -15.247 -2.124 39.979 1.00 0.00 C ATOM 63 CE2 TYR A 7 -15.675 -0.881 42.016 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.840 -1.185 40.933 1.00 0.00 C ATOM 65 OH TYR A 7 -13.616 -0.561 40.808 1.00 0.00 O ATOM 0 H TYR A 7 -17.299 -5.272 40.266 1.00 0.00 H new ATOM 0 HA TYR A 7 -18.337 -4.487 42.978 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -19.150 -3.211 40.346 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -19.323 -2.569 41.967 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.800 -3.483 39.370 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.561 -1.277 42.977 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.604 -2.359 39.144 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -15.360 -0.158 42.754 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.475 0.039 41.570 1.00 0.00 H new ATOM 66 N THR A 8 -20.522 -5.690 42.585 1.00 0.00 N ATOM 67 CA THR A 8 -21.746 -6.515 42.358 1.00 0.00 C ATOM 68 C THR A 8 -22.669 -5.818 41.353 1.00 0.00 C ATOM 69 O THR A 8 -22.638 -4.613 41.199 1.00 0.00 O ATOM 70 CB THR A 8 -22.487 -6.701 43.684 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.733 -5.429 44.268 1.00 0.00 O ATOM 72 CG2 THR A 8 -21.634 -7.543 44.634 1.00 0.00 C ATOM 0 H THR A 8 -20.380 -5.385 43.548 1.00 0.00 H new ATOM 0 HA THR A 8 -21.453 -7.487 41.960 1.00 0.00 H new ATOM 0 HB THR A 8 -23.434 -7.209 43.503 1.00 0.00 H new ATOM 0 HG1 THR A 8 -23.209 -5.545 45.117 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.163 -7.675 45.578 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.444 -8.518 44.185 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.686 -7.037 44.817 1.00 0.00 H new ATOM 73 N LEU A 9 -23.486 -6.578 40.664 1.00 0.00 N ATOM 74 CA LEU A 9 -24.416 -5.988 39.656 1.00 0.00 C ATOM 75 C LEU A 9 -25.287 -4.911 40.314 1.00 0.00 C ATOM 76 O LEU A 9 -25.711 -3.968 39.675 1.00 0.00 O ATOM 77 CB LEU A 9 -25.338 -7.081 39.073 1.00 0.00 C ATOM 78 CG LEU A 9 -24.605 -8.423 38.776 1.00 0.00 C ATOM 79 CD1 LEU A 9 -23.118 -8.230 38.429 1.00 0.00 C ATOM 80 CD2 LEU A 9 -24.747 -9.375 39.975 1.00 0.00 C ATOM 0 H LEU A 9 -23.547 -7.592 40.760 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.820 -5.547 38.857 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -26.152 -7.269 39.773 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.788 -6.711 38.152 1.00 0.00 H new ATOM 0 HG LEU A 9 -25.081 -8.857 37.897 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -22.661 -9.200 38.232 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.030 -7.601 37.543 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -22.608 -7.752 39.266 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -24.232 -10.311 39.759 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -24.307 -8.914 40.860 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -25.803 -9.576 40.157 1.00 0.00 H new ATOM 81 N GLU A 10 -25.557 -5.052 41.587 1.00 0.00 N ATOM 82 CA GLU A 10 -26.402 -4.046 42.296 1.00 0.00 C ATOM 83 C GLU A 10 -25.547 -2.834 42.674 1.00 0.00 C ATOM 84 O GLU A 10 -26.006 -1.707 42.639 1.00 0.00 O ATOM 85 CB GLU A 10 -26.986 -4.674 43.563 1.00 0.00 C ATOM 86 CG GLU A 10 -27.981 -5.770 43.179 1.00 0.00 C ATOM 87 CD GLU A 10 -27.990 -6.853 44.259 1.00 0.00 C ATOM 88 OE1 GLU A 10 -26.931 -7.140 44.791 1.00 0.00 O ATOM 89 OE2 GLU A 10 -29.056 -7.377 44.536 1.00 0.00 O ATOM 0 H GLU A 10 -25.227 -5.823 42.167 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.213 -3.727 41.641 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.187 -5.092 44.176 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.483 -3.912 44.164 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -28.979 -5.346 43.066 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.707 -6.203 42.217 1.00 0.00 H new ATOM 90 N GLU A 11 -24.311 -3.059 43.036 1.00 0.00 N ATOM 91 CA GLU A 11 -23.417 -1.926 43.420 1.00 0.00 C ATOM 92 C GLU A 11 -23.242 -0.977 42.231 1.00 0.00 C ATOM 93 O GLU A 11 -23.017 0.207 42.401 1.00 0.00 O ATOM 94 CB GLU A 11 -22.052 -2.474 43.838 1.00 0.00 C ATOM 95 CG GLU A 11 -21.223 -1.354 44.470 1.00 0.00 C ATOM 96 CD GLU A 11 -21.590 -1.219 45.948 1.00 0.00 C ATOM 97 OE1 GLU A 11 -22.757 -1.378 46.265 1.00 0.00 O ATOM 98 OE2 GLU A 11 -20.699 -0.958 46.739 1.00 0.00 O ATOM 0 H GLU A 11 -23.880 -3.982 43.082 1.00 0.00 H new ATOM 0 HA GLU A 11 -23.864 -1.382 44.252 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.179 -3.292 44.548 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.531 -2.882 42.972 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.160 -1.572 44.367 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.408 -0.413 43.951 1.00 0.00 H new ATOM 99 N ILE A 12 -23.342 -1.490 41.029 1.00 0.00 N ATOM 100 CA ILE A 12 -23.179 -0.622 39.824 1.00 0.00 C ATOM 101 C ILE A 12 -24.552 -0.131 39.356 1.00 0.00 C ATOM 102 O ILE A 12 -24.677 0.941 38.797 1.00 0.00 O ATOM 103 CB ILE A 12 -22.519 -1.426 38.702 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.224 -2.059 39.219 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.198 -0.498 37.531 1.00 0.00 C ATOM 106 CD1 ILE A 12 -20.654 -2.995 38.153 1.00 0.00 C ATOM 0 H ILE A 12 -23.530 -2.473 40.831 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.553 0.234 40.077 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.199 -2.210 38.370 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.499 -1.282 39.462 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.418 -2.612 40.138 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -21.728 -1.070 36.731 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.119 -0.047 37.161 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.518 0.286 37.864 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -19.732 -3.446 38.520 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.379 -3.779 37.932 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -20.444 -2.428 37.246 1.00 0.00 H new ATOM 107 N GLN A 13 -25.580 -0.913 39.581 1.00 0.00 N ATOM 108 CA GLN A 13 -26.951 -0.502 39.148 1.00 0.00 C ATOM 109 C GLN A 13 -27.665 0.260 40.273 1.00 0.00 C ATOM 110 O GLN A 13 -28.879 0.342 40.291 1.00 0.00 O ATOM 111 CB GLN A 13 -27.761 -1.749 38.789 1.00 0.00 C ATOM 112 CG GLN A 13 -27.398 -2.204 37.374 1.00 0.00 C ATOM 113 CD GLN A 13 -27.638 -3.709 37.243 1.00 0.00 C ATOM 114 OE1 GLN A 13 -28.642 -4.218 37.702 1.00 0.00 O ATOM 115 NE2 GLN A 13 -26.752 -4.449 36.635 1.00 0.00 N ATOM 0 H GLN A 13 -25.528 -1.819 40.046 1.00 0.00 H new ATOM 0 HA GLN A 13 -26.865 0.152 38.280 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -27.556 -2.547 39.503 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -28.828 -1.533 38.850 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -27.999 -1.664 36.642 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -26.354 -1.972 37.163 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -25.909 -4.023 36.250 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -26.902 -5.454 36.545 1.00 0.00 H new ATOM 116 N LYS A 14 -26.933 0.816 41.210 1.00 0.00 N ATOM 117 CA LYS A 14 -27.582 1.567 42.324 1.00 0.00 C ATOM 118 C LYS A 14 -27.248 3.055 42.203 1.00 0.00 C ATOM 119 O LYS A 14 -27.038 3.734 43.191 1.00 0.00 O ATOM 120 CB LYS A 14 -27.069 1.035 43.665 1.00 0.00 C ATOM 121 CG LYS A 14 -27.948 1.570 44.797 1.00 0.00 C ATOM 122 CD LYS A 14 -27.095 1.784 46.049 1.00 0.00 C ATOM 123 CE LYS A 14 -26.480 3.184 46.015 1.00 0.00 C ATOM 124 NZ LYS A 14 -27.563 4.205 46.088 1.00 0.00 N ATOM 0 H LYS A 14 -25.914 0.780 41.248 1.00 0.00 H new ATOM 0 HA LYS A 14 -28.662 1.434 42.269 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -27.082 -0.055 43.665 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.034 1.342 43.818 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -28.414 2.509 44.497 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -28.754 0.867 45.009 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.707 1.666 46.943 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.309 1.031 46.099 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -25.790 3.310 46.849 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -25.902 3.317 45.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -27.214 5.046 46.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -27.854 4.471 45.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -28.378 3.811 46.600 1.00 0.00 H new ATOM 125 N HIS A 15 -27.197 3.565 40.998 1.00 0.00 N ATOM 126 CA HIS A 15 -26.877 5.011 40.807 1.00 0.00 C ATOM 127 C HIS A 15 -28.018 5.689 40.033 1.00 0.00 C ATOM 128 O HIS A 15 -28.896 6.292 40.620 1.00 0.00 O ATOM 129 CB HIS A 15 -25.558 5.146 40.037 1.00 0.00 C ATOM 130 CG HIS A 15 -24.422 4.672 40.900 1.00 0.00 C ATOM 131 ND1 HIS A 15 -23.319 5.466 41.172 1.00 0.00 N ATOM 132 CD2 HIS A 15 -24.201 3.486 41.555 1.00 0.00 C ATOM 133 CE1 HIS A 15 -22.492 4.755 41.960 1.00 0.00 C ATOM 134 NE2 HIS A 15 -22.981 3.541 42.225 1.00 0.00 N ATOM 0 H HIS A 15 -27.363 3.042 40.139 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.770 5.496 41.777 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -25.599 4.561 39.118 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -25.399 6.184 39.746 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -23.163 6.416 40.836 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -24.871 2.639 41.551 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -21.547 5.122 42.333 1.00 0.00 H new ATOM 135 N LYS A 16 -28.014 5.597 38.720 1.00 0.00 N ATOM 136 CA LYS A 16 -29.100 6.234 37.907 1.00 0.00 C ATOM 137 C LYS A 16 -29.228 7.721 38.265 1.00 0.00 C ATOM 138 O LYS A 16 -30.287 8.307 38.144 1.00 0.00 O ATOM 139 CB LYS A 16 -30.427 5.528 38.192 1.00 0.00 C ATOM 140 CG LYS A 16 -30.549 4.292 37.299 1.00 0.00 C ATOM 141 CD LYS A 16 -32.026 4.008 37.016 1.00 0.00 C ATOM 142 CE LYS A 16 -32.436 4.693 35.712 1.00 0.00 C ATOM 143 NZ LYS A 16 -32.855 6.094 35.997 1.00 0.00 N ATOM 0 H LYS A 16 -27.303 5.107 38.178 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.851 6.144 36.850 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -30.479 5.238 39.241 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -31.259 6.207 38.007 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -30.013 4.452 36.363 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -30.090 3.432 37.786 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -32.193 2.933 36.943 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -32.641 4.371 37.839 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -31.604 4.687 35.008 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -33.254 4.146 35.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -33.494 6.425 35.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -33.348 6.129 36.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -32.016 6.707 36.032 1.00 0.00 H new ATOM 144 N ASP A 17 -28.156 8.328 38.707 1.00 0.00 N ATOM 145 CA ASP A 17 -28.206 9.773 39.078 1.00 0.00 C ATOM 146 C ASP A 17 -27.958 10.651 37.844 1.00 0.00 C ATOM 147 O ASP A 17 -28.222 11.839 37.865 1.00 0.00 O ATOM 148 CB ASP A 17 -27.131 10.063 40.129 1.00 0.00 C ATOM 149 CG ASP A 17 -27.646 9.661 41.512 1.00 0.00 C ATOM 150 OD1 ASP A 17 -27.449 8.519 41.888 1.00 0.00 O ATOM 151 OD2 ASP A 17 -28.229 10.507 42.172 1.00 0.00 O ATOM 0 H ASP A 17 -27.246 7.883 38.827 1.00 0.00 H new ATOM 0 HA ASP A 17 -29.193 10.000 39.481 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -26.220 9.512 39.894 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -26.874 11.122 40.119 1.00 0.00 H new ATOM 152 N SER A 18 -27.450 10.087 36.771 1.00 0.00 N ATOM 153 CA SER A 18 -27.184 10.897 35.542 1.00 0.00 C ATOM 154 C SER A 18 -26.155 11.984 35.864 1.00 0.00 C ATOM 155 O SER A 18 -26.165 13.052 35.283 1.00 0.00 O ATOM 156 CB SER A 18 -28.480 11.548 35.056 1.00 0.00 C ATOM 157 OG SER A 18 -28.282 12.073 33.750 1.00 0.00 O ATOM 0 H SER A 18 -27.209 9.099 36.696 1.00 0.00 H new ATOM 0 HA SER A 18 -26.797 10.245 34.759 1.00 0.00 H new ATOM 0 HB2 SER A 18 -29.287 10.816 35.047 1.00 0.00 H new ATOM 0 HB3 SER A 18 -28.779 12.344 35.739 1.00 0.00 H new ATOM 0 HG SER A 18 -27.511 12.678 33.754 1.00 0.00 H new ATOM 158 N LYS A 19 -25.269 11.713 36.787 1.00 0.00 N ATOM 159 CA LYS A 19 -24.231 12.717 37.160 1.00 0.00 C ATOM 160 C LYS A 19 -22.923 11.995 37.492 1.00 0.00 C ATOM 161 O LYS A 19 -21.860 12.384 37.047 1.00 0.00 O ATOM 162 CB LYS A 19 -24.701 13.509 38.383 1.00 0.00 C ATOM 163 CG LYS A 19 -23.711 14.637 38.674 1.00 0.00 C ATOM 164 CD LYS A 19 -24.383 15.694 39.553 1.00 0.00 C ATOM 165 CE LYS A 19 -25.040 16.754 38.665 1.00 0.00 C ATOM 166 NZ LYS A 19 -24.025 17.776 38.280 1.00 0.00 N ATOM 0 H LYS A 19 -25.221 10.833 37.301 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.070 13.400 36.326 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -25.694 13.920 38.203 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -24.781 12.850 39.247 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.828 14.240 39.175 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.372 15.087 37.741 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -25.131 15.227 40.194 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.647 16.159 40.208 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.459 16.288 37.773 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.866 17.228 39.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -24.470 18.497 37.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.645 18.228 39.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.251 17.317 37.758 1.00 0.00 H new ATOM 167 N SER A 20 -23.000 10.944 38.270 1.00 0.00 N ATOM 168 CA SER A 20 -21.769 10.183 38.636 1.00 0.00 C ATOM 169 C SER A 20 -22.089 8.687 38.652 1.00 0.00 C ATOM 170 O SER A 20 -22.317 8.105 39.696 1.00 0.00 O ATOM 171 CB SER A 20 -21.292 10.621 40.022 1.00 0.00 C ATOM 172 OG SER A 20 -20.077 9.953 40.332 1.00 0.00 O ATOM 0 H SER A 20 -23.866 10.580 38.668 1.00 0.00 H new ATOM 0 HA SER A 20 -20.984 10.381 37.906 1.00 0.00 H new ATOM 0 HB2 SER A 20 -21.143 11.701 40.044 1.00 0.00 H new ATOM 0 HB3 SER A 20 -22.050 10.389 40.770 1.00 0.00 H new ATOM 0 HG SER A 20 -19.705 9.556 39.517 1.00 0.00 H new ATOM 173 N THR A 21 -22.111 8.063 37.501 1.00 0.00 N ATOM 174 CA THR A 21 -22.422 6.605 37.442 1.00 0.00 C ATOM 175 C THR A 21 -21.327 5.875 36.649 1.00 0.00 C ATOM 176 O THR A 21 -20.408 6.486 36.127 1.00 0.00 O ATOM 177 CB THR A 21 -23.796 6.406 36.779 1.00 0.00 C ATOM 178 OG1 THR A 21 -24.155 5.033 36.824 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.757 6.875 35.322 1.00 0.00 C ATOM 0 H THR A 21 -21.927 8.502 36.599 1.00 0.00 H new ATOM 0 HA THR A 21 -22.453 6.191 38.450 1.00 0.00 H new ATOM 0 HB THR A 21 -24.535 6.996 37.322 1.00 0.00 H new ATOM 0 HG1 THR A 21 -25.031 4.910 36.403 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.736 6.728 34.866 1.00 0.00 H new ATOM 0 HG22 THR A 21 -23.496 7.933 35.287 1.00 0.00 H new ATOM 0 HG23 THR A 21 -23.011 6.299 34.774 1.00 0.00 H new ATOM 180 N TRP A 22 -21.418 4.572 36.561 1.00 0.00 N ATOM 181 CA TRP A 22 -20.385 3.797 35.809 1.00 0.00 C ATOM 182 C TRP A 22 -21.069 3.001 34.694 1.00 0.00 C ATOM 183 O TRP A 22 -22.275 2.848 34.682 1.00 0.00 O ATOM 184 CB TRP A 22 -19.639 2.817 36.741 1.00 0.00 C ATOM 185 CG TRP A 22 -19.511 3.374 38.133 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.259 4.668 38.440 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.623 2.668 39.403 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.211 4.800 39.816 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.428 3.595 40.455 1.00 0.00 C ATOM 190 CE3 TRP A 22 -19.871 1.326 39.743 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.479 3.206 41.792 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -19.923 0.931 41.089 1.00 0.00 C ATOM 193 CH2 TRP A 22 -19.727 1.868 42.111 1.00 0.00 C ATOM 0 H TRP A 22 -22.162 4.012 36.977 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.663 4.498 35.392 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.173 1.867 36.775 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.648 2.611 36.337 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -19.118 5.467 37.727 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -19.036 5.681 40.300 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.022 0.594 38.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.328 3.933 42.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.115 -0.102 41.338 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -19.767 1.557 43.145 1.00 0.00 H new ATOM 194 N VAL A 23 -20.303 2.492 33.763 1.00 0.00 N ATOM 195 CA VAL A 23 -20.897 1.700 32.644 1.00 0.00 C ATOM 196 C VAL A 23 -19.945 0.559 32.281 1.00 0.00 C ATOM 197 O VAL A 23 -18.746 0.747 32.204 1.00 0.00 O ATOM 198 CB VAL A 23 -21.095 2.603 31.424 1.00 0.00 C ATOM 199 CG1 VAL A 23 -21.865 1.840 30.344 1.00 0.00 C ATOM 200 CG2 VAL A 23 -21.889 3.846 31.830 1.00 0.00 C ATOM 0 H VAL A 23 -19.288 2.591 33.730 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.861 1.295 32.953 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.122 2.904 31.035 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -22.006 2.483 29.475 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -21.301 0.954 30.052 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.837 1.539 30.734 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -22.029 4.488 30.961 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.862 3.545 32.220 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -21.343 4.391 32.599 1.00 0.00 H new ATOM 201 N ILE A 24 -20.465 -0.623 32.063 1.00 0.00 N ATOM 202 CA ILE A 24 -19.577 -1.770 31.711 1.00 0.00 C ATOM 203 C ILE A 24 -19.403 -1.839 30.193 1.00 0.00 C ATOM 204 O ILE A 24 -20.329 -1.605 29.440 1.00 0.00 O ATOM 205 CB ILE A 24 -20.186 -3.083 32.216 1.00 0.00 C ATOM 206 CG1 ILE A 24 -20.468 -2.974 33.718 1.00 0.00 C ATOM 207 CG2 ILE A 24 -19.204 -4.234 31.965 1.00 0.00 C ATOM 208 CD1 ILE A 24 -21.748 -3.742 34.055 1.00 0.00 C ATOM 0 H ILE A 24 -21.460 -0.841 32.113 1.00 0.00 H new ATOM 0 HA ILE A 24 -18.606 -1.623 32.183 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.118 -3.276 31.684 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -19.630 -3.377 34.286 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -20.573 -1.927 34.004 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -19.638 -5.167 32.324 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.003 -4.315 30.897 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -18.272 -4.039 32.495 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -21.948 -3.664 35.124 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -22.584 -3.319 33.497 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -21.625 -4.791 33.784 1.00 0.00 H new ATOM 209 N LEU A 25 -18.217 -2.167 29.746 1.00 0.00 N ATOM 210 CA LEU A 25 -17.968 -2.265 28.276 1.00 0.00 C ATOM 211 C LEU A 25 -18.102 -3.729 27.845 1.00 0.00 C ATOM 212 O LEU A 25 -19.114 -4.137 27.305 1.00 0.00 O ATOM 213 CB LEU A 25 -16.552 -1.755 27.958 1.00 0.00 C ATOM 214 CG LEU A 25 -16.598 -0.293 27.487 1.00 0.00 C ATOM 215 CD1 LEU A 25 -17.426 -0.179 26.199 1.00 0.00 C ATOM 216 CD2 LEU A 25 -17.210 0.588 28.585 1.00 0.00 C ATOM 0 H LEU A 25 -17.410 -2.371 30.336 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.694 -1.657 27.736 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.922 -1.838 28.844 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.100 -2.378 27.186 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.582 0.046 27.282 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.452 0.861 25.874 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.973 -0.791 25.420 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -18.442 -0.526 26.388 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -17.240 1.623 28.246 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.222 0.248 28.802 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -16.602 0.519 29.487 1.00 0.00 H new ATOM 217 N HIS A 26 -17.088 -4.521 28.084 1.00 0.00 N ATOM 218 CA HIS A 26 -17.139 -5.963 27.699 1.00 0.00 C ATOM 219 C HIS A 26 -16.942 -6.840 28.942 1.00 0.00 C ATOM 220 O HIS A 26 -17.430 -7.952 29.011 1.00 0.00 O ATOM 221 CB HIS A 26 -16.034 -6.261 26.681 1.00 0.00 C ATOM 222 CG HIS A 26 -14.705 -5.817 27.232 1.00 0.00 C ATOM 223 ND1 HIS A 26 -13.778 -6.715 27.739 1.00 0.00 N ATOM 224 CD2 HIS A 26 -14.132 -4.576 27.358 1.00 0.00 C ATOM 225 CE1 HIS A 26 -12.707 -6.008 28.143 1.00 0.00 C ATOM 226 NE2 HIS A 26 -12.870 -4.698 27.933 1.00 0.00 N ATOM 0 H HIS A 26 -16.220 -4.228 28.533 1.00 0.00 H new ATOM 0 HA HIS A 26 -18.110 -6.182 27.256 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -16.009 -7.328 26.459 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -16.241 -5.745 25.743 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.591 -3.646 27.057 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.823 -6.446 28.583 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -12.212 -3.949 28.148 1.00 0.00 H new ATOM 227 N HIS A 27 -16.231 -6.345 29.924 1.00 0.00 N ATOM 228 CA HIS A 27 -15.993 -7.134 31.167 1.00 0.00 C ATOM 229 C HIS A 27 -15.249 -6.257 32.178 1.00 0.00 C ATOM 230 O HIS A 27 -14.410 -6.728 32.923 1.00 0.00 O ATOM 231 CB HIS A 27 -15.147 -8.366 30.837 1.00 0.00 C ATOM 232 CG HIS A 27 -15.063 -9.256 32.047 1.00 0.00 C ATOM 233 ND1 HIS A 27 -13.911 -9.359 32.811 1.00 0.00 N ATOM 234 CD2 HIS A 27 -15.981 -10.088 32.638 1.00 0.00 C ATOM 235 CE1 HIS A 27 -14.163 -10.226 33.808 1.00 0.00 C ATOM 236 NE2 HIS A 27 -15.410 -10.701 33.750 1.00 0.00 N ATOM 0 H HIS A 27 -15.802 -5.419 29.916 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.945 -7.456 31.588 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.588 -8.910 30.002 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.148 -8.061 30.526 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.992 -10.243 32.293 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.444 -10.504 34.564 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -15.849 -11.369 34.384 1.00 0.00 H new ATOM 237 N LYS A 28 -15.556 -4.985 32.204 1.00 0.00 N ATOM 238 CA LYS A 28 -14.878 -4.060 33.157 1.00 0.00 C ATOM 239 C LYS A 28 -15.858 -2.957 33.558 1.00 0.00 C ATOM 240 O LYS A 28 -16.831 -2.706 32.870 1.00 0.00 O ATOM 241 CB LYS A 28 -13.654 -3.437 32.483 1.00 0.00 C ATOM 242 CG LYS A 28 -12.409 -4.254 32.833 1.00 0.00 C ATOM 243 CD LYS A 28 -11.292 -3.936 31.837 1.00 0.00 C ATOM 244 CE LYS A 28 -9.991 -4.596 32.300 1.00 0.00 C ATOM 245 NZ LYS A 28 -8.831 -3.787 31.833 1.00 0.00 N ATOM 0 H LYS A 28 -16.252 -4.546 31.601 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.558 -4.610 34.042 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.794 -3.412 31.402 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.530 -2.405 32.812 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.083 -4.023 33.847 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.641 -5.319 32.808 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.562 -4.297 30.844 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.157 -2.857 31.758 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.978 -4.676 33.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.924 -5.610 31.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.946 -4.235 32.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.842 -3.732 30.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.894 -2.828 32.231 1.00 0.00 H new ATOM 246 N VAL A 29 -15.609 -2.298 34.662 1.00 0.00 N ATOM 247 CA VAL A 29 -16.526 -1.209 35.119 1.00 0.00 C ATOM 248 C VAL A 29 -15.882 0.137 34.797 1.00 0.00 C ATOM 249 O VAL A 29 -14.697 0.320 34.994 1.00 0.00 O ATOM 250 CB VAL A 29 -16.758 -1.327 36.633 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.933 -0.441 37.044 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.074 -2.782 36.995 1.00 0.00 C ATOM 0 H VAL A 29 -14.807 -2.468 35.269 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.486 -1.292 34.610 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.858 -1.007 37.158 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.095 -0.527 38.118 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.712 0.596 36.792 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.831 -0.759 36.515 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.238 -2.862 38.070 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -17.972 -3.102 36.466 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.237 -3.419 36.707 1.00 0.00 H new ATOM 253 N TYR A 30 -16.643 1.071 34.284 1.00 0.00 N ATOM 254 CA TYR A 30 -16.051 2.389 33.925 1.00 0.00 C ATOM 255 C TYR A 30 -16.622 3.517 34.774 1.00 0.00 C ATOM 256 O TYR A 30 -17.694 4.013 34.496 1.00 0.00 O ATOM 257 CB TYR A 30 -16.364 2.715 32.466 1.00 0.00 C ATOM 258 CG TYR A 30 -15.499 1.887 31.560 1.00 0.00 C ATOM 259 CD1 TYR A 30 -15.700 0.509 31.473 1.00 0.00 C ATOM 260 CD2 TYR A 30 -14.500 2.502 30.803 1.00 0.00 C ATOM 261 CE1 TYR A 30 -14.899 -0.259 30.627 1.00 0.00 C ATOM 262 CE2 TYR A 30 -13.696 1.735 29.958 1.00 0.00 C ATOM 263 CZ TYR A 30 -13.894 0.351 29.867 1.00 0.00 C ATOM 264 OH TYR A 30 -13.100 -0.409 29.033 1.00 0.00 O ATOM 0 H TYR A 30 -17.642 0.976 34.100 1.00 0.00 H new ATOM 0 HA TYR A 30 -14.977 2.313 34.097 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.416 2.519 32.258 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.194 3.775 32.277 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.475 0.037 32.060 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.350 3.569 30.871 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -15.055 -1.326 30.558 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.921 2.209 29.374 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.609 -1.183 28.713 1.00 0.00 H new ATOM 265 N ASP A 31 -15.888 3.981 35.757 1.00 0.00 N ATOM 266 CA ASP A 31 -16.376 5.144 36.552 1.00 0.00 C ATOM 267 C ASP A 31 -16.232 6.347 35.626 1.00 0.00 C ATOM 268 O ASP A 31 -15.172 6.936 35.520 1.00 0.00 O ATOM 269 CB ASP A 31 -15.515 5.329 37.806 1.00 0.00 C ATOM 270 CG ASP A 31 -16.023 6.531 38.605 1.00 0.00 C ATOM 271 OD1 ASP A 31 -17.227 6.658 38.747 1.00 0.00 O ATOM 272 OD2 ASP A 31 -15.197 7.305 39.061 1.00 0.00 O ATOM 0 H ASP A 31 -14.982 3.607 36.039 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.404 5.009 36.889 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.552 4.429 38.420 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.473 5.481 37.525 1.00 0.00 H new ATOM 273 N LEU A 32 -17.269 6.666 34.896 1.00 0.00 N ATOM 274 CA LEU A 32 -17.171 7.773 33.904 1.00 0.00 C ATOM 275 C LEU A 32 -17.755 9.066 34.470 1.00 0.00 C ATOM 276 O LEU A 32 -18.277 9.888 33.738 1.00 0.00 O ATOM 277 CB LEU A 32 -17.915 7.365 32.622 1.00 0.00 C ATOM 278 CG LEU A 32 -17.476 5.951 32.175 1.00 0.00 C ATOM 279 CD1 LEU A 32 -18.711 5.100 31.843 1.00 0.00 C ATOM 280 CD2 LEU A 32 -16.571 6.047 30.937 1.00 0.00 C ATOM 0 H LEU A 32 -18.178 6.207 34.945 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.121 7.956 33.676 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.991 7.381 32.797 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.710 8.085 31.829 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.922 5.482 32.988 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.394 4.106 31.529 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.344 5.017 32.727 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -19.273 5.573 31.038 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.267 5.046 30.630 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.116 6.526 30.124 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.687 6.637 31.178 1.00 0.00 H new ATOM 281 N THR A 33 -17.647 9.270 35.759 1.00 0.00 N ATOM 282 CA THR A 33 -18.170 10.530 36.364 1.00 0.00 C ATOM 283 C THR A 33 -17.357 11.706 35.820 1.00 0.00 C ATOM 284 O THR A 33 -17.858 12.805 35.673 1.00 0.00 O ATOM 285 CB THR A 33 -18.031 10.467 37.888 1.00 0.00 C ATOM 286 OG1 THR A 33 -18.685 9.303 38.373 1.00 0.00 O ATOM 287 CG2 THR A 33 -18.666 11.710 38.514 1.00 0.00 C ATOM 0 H THR A 33 -17.219 8.618 36.417 1.00 0.00 H new ATOM 0 HA THR A 33 -19.223 10.656 36.111 1.00 0.00 H new ATOM 0 HB THR A 33 -16.975 10.430 38.155 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.041 8.567 38.434 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.566 11.663 39.598 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.163 12.602 38.142 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.722 11.752 38.249 1.00 0.00 H new ATOM 288 N LYS A 34 -16.109 11.470 35.500 1.00 0.00 N ATOM 289 CA LYS A 34 -15.256 12.555 34.943 1.00 0.00 C ATOM 290 C LYS A 34 -15.403 12.572 33.418 1.00 0.00 C ATOM 291 O LYS A 34 -15.214 13.591 32.782 1.00 0.00 O ATOM 292 CB LYS A 34 -13.792 12.296 35.312 1.00 0.00 C ATOM 293 CG LYS A 34 -13.447 13.059 36.593 1.00 0.00 C ATOM 294 CD LYS A 34 -11.978 12.819 36.949 1.00 0.00 C ATOM 295 CE LYS A 34 -11.096 13.783 36.154 1.00 0.00 C ATOM 296 NZ LYS A 34 -9.686 13.671 36.626 1.00 0.00 N ATOM 0 H LYS A 34 -15.646 10.567 35.603 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.566 13.515 35.355 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.625 11.228 35.456 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.139 12.614 34.499 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.629 14.125 36.455 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.089 12.729 37.410 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.823 12.965 38.018 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.702 11.788 36.725 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.154 13.553 35.090 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.452 14.806 36.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.086 14.326 36.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.638 13.911 37.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.349 12.697 36.485 1.00 0.00 H new ATOM 297 N PHE A 35 -15.750 11.451 32.826 1.00 0.00 N ATOM 298 CA PHE A 35 -15.921 11.392 31.342 1.00 0.00 C ATOM 299 C PHE A 35 -16.984 12.403 30.910 1.00 0.00 C ATOM 300 O PHE A 35 -16.795 13.149 29.967 1.00 0.00 O ATOM 301 CB PHE A 35 -16.374 9.987 30.941 1.00 0.00 C ATOM 302 CG PHE A 35 -16.071 9.749 29.480 1.00 0.00 C ATOM 303 CD1 PHE A 35 -16.751 10.477 28.496 1.00 0.00 C ATOM 304 CD2 PHE A 35 -15.114 8.798 29.111 1.00 0.00 C ATOM 305 CE1 PHE A 35 -16.472 10.253 27.143 1.00 0.00 C ATOM 306 CE2 PHE A 35 -14.835 8.574 27.759 1.00 0.00 C ATOM 307 CZ PHE A 35 -15.514 9.300 26.774 1.00 0.00 C ATOM 0 H PHE A 35 -15.922 10.571 33.313 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.973 11.628 30.858 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -15.865 9.242 31.553 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -17.443 9.874 31.123 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -17.490 11.211 28.781 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -14.590 8.236 29.870 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -16.995 10.815 26.383 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -14.095 7.840 27.475 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.300 9.126 25.730 1.00 0.00 H new ATOM 308 N LEU A 36 -18.098 12.433 31.597 1.00 0.00 N ATOM 309 CA LEU A 36 -19.178 13.398 31.238 1.00 0.00 C ATOM 310 C LEU A 36 -18.653 14.830 31.393 1.00 0.00 C ATOM 311 O LEU A 36 -19.107 15.742 30.727 1.00 0.00 O ATOM 312 CB LEU A 36 -20.393 13.188 32.152 1.00 0.00 C ATOM 313 CG LEU A 36 -19.971 13.257 33.626 1.00 0.00 C ATOM 314 CD1 LEU A 36 -20.238 14.660 34.173 1.00 0.00 C ATOM 315 CD2 LEU A 36 -20.782 12.241 34.435 1.00 0.00 C ATOM 0 H LEU A 36 -18.305 11.829 32.392 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.481 13.232 30.204 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -21.146 13.948 31.947 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -20.851 12.221 31.943 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.908 13.030 33.707 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -19.937 14.706 35.220 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.666 15.389 33.599 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.301 14.886 34.091 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -20.484 12.288 35.482 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -21.844 12.472 34.349 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.597 11.238 34.050 1.00 0.00 H new ATOM 316 N GLU A 37 -17.692 15.031 32.261 1.00 0.00 N ATOM 317 CA GLU A 37 -17.125 16.398 32.461 1.00 0.00 C ATOM 318 C GLU A 37 -15.640 16.394 32.084 1.00 0.00 C ATOM 319 O GLU A 37 -14.835 17.072 32.694 1.00 0.00 O ATOM 320 CB GLU A 37 -17.276 16.804 33.929 1.00 0.00 C ATOM 321 CG GLU A 37 -17.006 18.303 34.074 1.00 0.00 C ATOM 322 CD GLU A 37 -16.358 18.576 35.432 1.00 0.00 C ATOM 323 OE1 GLU A 37 -17.061 18.510 36.428 1.00 0.00 O ATOM 324 OE2 GLU A 37 -15.168 18.847 35.456 1.00 0.00 O ATOM 0 H GLU A 37 -17.275 14.303 32.841 1.00 0.00 H new ATOM 0 HA GLU A 37 -17.659 17.109 31.831 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.280 16.569 34.281 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.581 16.237 34.548 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.352 18.645 33.272 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.938 18.861 33.985 1.00 0.00 H new ATOM 325 N GLU A 38 -15.276 15.635 31.080 1.00 0.00 N ATOM 326 CA GLU A 38 -13.846 15.580 30.651 1.00 0.00 C ATOM 327 C GLU A 38 -13.747 15.941 29.168 1.00 0.00 C ATOM 328 O GLU A 38 -12.988 16.808 28.779 1.00 0.00 O ATOM 329 CB GLU A 38 -13.294 14.167 30.869 1.00 0.00 C ATOM 330 CG GLU A 38 -12.581 14.099 32.221 1.00 0.00 C ATOM 331 CD GLU A 38 -11.100 14.433 32.035 1.00 0.00 C ATOM 332 OE1 GLU A 38 -10.486 13.849 31.158 1.00 0.00 O ATOM 333 OE2 GLU A 38 -10.604 15.268 32.775 1.00 0.00 O ATOM 0 H GLU A 38 -15.911 15.049 30.538 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.265 16.289 31.241 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.105 13.440 30.837 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.602 13.908 30.068 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.038 14.799 32.920 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.689 13.103 32.651 1.00 0.00 H new ATOM 334 N HIS A 39 -14.513 15.278 28.338 1.00 0.00 N ATOM 335 CA HIS A 39 -14.474 15.572 26.875 1.00 0.00 C ATOM 336 C HIS A 39 -15.850 16.089 26.420 1.00 0.00 C ATOM 337 O HIS A 39 -16.678 15.311 25.990 1.00 0.00 O ATOM 338 CB HIS A 39 -14.131 14.294 26.107 1.00 0.00 C ATOM 339 CG HIS A 39 -12.842 13.723 26.631 1.00 0.00 C ATOM 340 ND1 HIS A 39 -12.687 12.374 26.899 1.00 0.00 N ATOM 341 CD2 HIS A 39 -11.638 14.309 26.940 1.00 0.00 C ATOM 342 CE1 HIS A 39 -11.433 12.190 27.349 1.00 0.00 C ATOM 343 NE2 HIS A 39 -10.750 13.338 27.394 1.00 0.00 N ATOM 0 H HIS A 39 -15.165 14.544 28.613 1.00 0.00 H new ATOM 0 HA HIS A 39 -13.716 16.330 26.676 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -14.934 13.565 26.216 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.039 14.511 25.043 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.415 15.361 26.845 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.028 11.232 27.639 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.785 13.473 27.696 1.00 0.00 H new ATOM 344 N PRO A 40 -16.064 17.387 26.526 1.00 0.00 N ATOM 345 CA PRO A 40 -17.348 18.038 26.126 1.00 0.00 C ATOM 346 C PRO A 40 -17.363 18.310 24.618 1.00 0.00 C ATOM 347 O PRO A 40 -17.011 19.386 24.171 1.00 0.00 O ATOM 348 CB PRO A 40 -17.345 19.341 26.912 1.00 0.00 C ATOM 349 CG PRO A 40 -15.894 19.674 27.226 1.00 0.00 C ATOM 350 CD PRO A 40 -15.074 18.392 27.051 1.00 0.00 C ATOM 0 HA PRO A 40 -18.224 17.423 26.332 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.807 20.141 26.333 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -17.923 19.238 27.830 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.528 20.456 26.560 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.800 20.052 28.244 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.249 18.539 26.354 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.639 18.066 27.996 1.00 0.00 H new ATOM 351 N GLY A 41 -17.767 17.340 23.836 1.00 0.00 N ATOM 352 CA GLY A 41 -17.806 17.533 22.357 1.00 0.00 C ATOM 353 C GLY A 41 -19.261 17.646 21.895 1.00 0.00 C ATOM 354 O GLY A 41 -19.560 18.317 20.925 1.00 0.00 O ATOM 0 H GLY A 41 -18.072 16.422 24.160 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.255 18.433 22.082 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.319 16.696 21.857 1.00 0.00 H new ATOM 355 N GLY A 42 -20.163 16.997 22.585 1.00 0.00 N ATOM 356 CA GLY A 42 -21.602 17.060 22.194 1.00 0.00 C ATOM 357 C GLY A 42 -22.047 15.698 21.660 1.00 0.00 C ATOM 358 O GLY A 42 -22.916 15.607 20.814 1.00 0.00 O ATOM 0 H GLY A 42 -19.964 16.424 23.405 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -22.211 17.342 23.053 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -21.750 17.826 21.433 1.00 0.00 H new ATOM 359 N GLU A 43 -21.458 14.638 22.153 1.00 0.00 N ATOM 360 CA GLU A 43 -21.840 13.274 21.682 1.00 0.00 C ATOM 361 C GLU A 43 -22.719 12.599 22.735 1.00 0.00 C ATOM 362 O GLU A 43 -22.839 13.073 23.850 1.00 0.00 O ATOM 363 CB GLU A 43 -20.576 12.438 21.459 1.00 0.00 C ATOM 364 CG GLU A 43 -20.867 11.332 20.444 1.00 0.00 C ATOM 365 CD GLU A 43 -19.602 11.030 19.640 1.00 0.00 C ATOM 366 OE1 GLU A 43 -18.917 11.973 19.273 1.00 0.00 O ATOM 367 OE2 GLU A 43 -19.336 9.863 19.405 1.00 0.00 O ATOM 0 H GLU A 43 -20.727 14.660 22.864 1.00 0.00 H new ATOM 0 HA GLU A 43 -22.392 13.354 20.746 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -19.766 13.073 21.099 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -20.244 12.003 22.402 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -21.207 10.433 20.958 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -21.671 11.640 19.775 1.00 0.00 H new ATOM 368 N GLU A 44 -23.339 11.501 22.387 1.00 0.00 N ATOM 369 CA GLU A 44 -24.218 10.788 23.346 1.00 0.00 C ATOM 370 C GLU A 44 -23.393 9.770 24.148 1.00 0.00 C ATOM 371 O GLU A 44 -23.744 8.607 24.240 1.00 0.00 O ATOM 372 CB GLU A 44 -25.302 10.066 22.553 1.00 0.00 C ATOM 373 CG GLU A 44 -26.499 10.998 22.357 1.00 0.00 C ATOM 374 CD GLU A 44 -27.795 10.189 22.418 1.00 0.00 C ATOM 375 OE1 GLU A 44 -27.792 9.065 21.944 1.00 0.00 O ATOM 376 OE2 GLU A 44 -28.771 10.705 22.938 1.00 0.00 O ATOM 0 H GLU A 44 -23.269 11.067 21.466 1.00 0.00 H new ATOM 0 HA GLU A 44 -24.670 11.495 24.041 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -24.911 9.751 21.586 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -25.613 9.164 23.080 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -26.503 11.768 23.128 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -26.422 11.508 21.397 1.00 0.00 H new ATOM 377 N VAL A 45 -22.300 10.202 24.728 1.00 0.00 N ATOM 378 CA VAL A 45 -21.451 9.267 25.525 1.00 0.00 C ATOM 379 C VAL A 45 -22.199 8.855 26.795 1.00 0.00 C ATOM 380 O VAL A 45 -22.903 9.647 27.392 1.00 0.00 O ATOM 381 CB VAL A 45 -20.139 9.962 25.902 1.00 0.00 C ATOM 382 CG1 VAL A 45 -19.309 10.206 24.641 1.00 0.00 C ATOM 383 CG2 VAL A 45 -20.445 11.303 26.576 1.00 0.00 C ATOM 0 H VAL A 45 -21.960 11.163 24.683 1.00 0.00 H new ATOM 0 HA VAL A 45 -21.231 8.380 24.931 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.579 9.328 26.590 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.376 10.701 24.910 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -19.089 9.253 24.160 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -19.870 10.839 23.953 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.511 11.797 26.844 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -21.006 11.936 25.889 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.036 11.132 27.476 1.00 0.00 H new ATOM 384 N LEU A 46 -22.051 7.620 27.207 1.00 0.00 N ATOM 385 CA LEU A 46 -22.751 7.140 28.437 1.00 0.00 C ATOM 386 C LEU A 46 -24.267 7.308 28.272 1.00 0.00 C ATOM 387 O LEU A 46 -24.988 7.493 29.234 1.00 0.00 O ATOM 388 CB LEU A 46 -22.271 7.952 29.648 1.00 0.00 C ATOM 389 CG LEU A 46 -21.292 7.114 30.477 1.00 0.00 C ATOM 390 CD1 LEU A 46 -19.879 7.220 29.883 1.00 0.00 C ATOM 391 CD2 LEU A 46 -21.290 7.627 31.920 1.00 0.00 C ATOM 0 H LEU A 46 -21.472 6.921 26.741 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.523 6.085 28.593 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -21.787 8.870 29.314 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -23.123 8.246 30.261 1.00 0.00 H new ATOM 0 HG LEU A 46 -21.602 6.069 30.461 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -19.189 6.622 30.478 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -19.887 6.852 28.857 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -19.558 8.261 29.892 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -20.595 7.035 32.516 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -20.981 8.672 31.934 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -22.293 7.540 32.339 1.00 0.00 H new ATOM 392 N ARG A 47 -24.750 7.243 27.056 1.00 0.00 N ATOM 393 CA ARG A 47 -26.215 7.398 26.818 1.00 0.00 C ATOM 394 C ARG A 47 -26.915 6.062 27.072 1.00 0.00 C ATOM 395 O ARG A 47 -28.057 6.020 27.489 1.00 0.00 O ATOM 396 CB ARG A 47 -26.455 7.830 25.370 1.00 0.00 C ATOM 397 CG ARG A 47 -27.924 8.212 25.187 1.00 0.00 C ATOM 398 CD ARG A 47 -28.177 9.585 25.813 1.00 0.00 C ATOM 399 NE ARG A 47 -29.557 9.627 26.378 1.00 0.00 N ATOM 400 CZ ARG A 47 -29.882 10.554 27.235 1.00 0.00 C ATOM 401 NH1 ARG A 47 -29.173 10.722 28.317 1.00 0.00 N ATOM 402 NH2 ARG A 47 -30.917 11.316 27.011 1.00 0.00 N ATOM 0 H ARG A 47 -24.190 7.089 26.217 1.00 0.00 H new ATOM 0 HA ARG A 47 -26.615 8.154 27.494 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.815 8.676 25.121 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -26.192 7.020 24.690 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -28.176 8.232 24.127 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -28.566 7.464 25.653 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.445 9.779 26.597 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -28.056 10.367 25.063 1.00 0.00 H new ATOM 0 HE ARG A 47 -30.246 8.931 26.094 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.363 10.128 28.493 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -29.429 11.448 28.987 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -31.472 11.186 26.165 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -31.171 12.041 27.682 1.00 0.00 H new ATOM 403 N GLU A 48 -26.235 4.971 26.826 1.00 0.00 N ATOM 404 CA GLU A 48 -26.851 3.630 27.051 1.00 0.00 C ATOM 405 C GLU A 48 -25.776 2.647 27.516 1.00 0.00 C ATOM 406 O GLU A 48 -24.624 3.007 27.680 1.00 0.00 O ATOM 407 CB GLU A 48 -27.471 3.128 25.745 1.00 0.00 C ATOM 408 CG GLU A 48 -28.951 3.513 25.700 1.00 0.00 C ATOM 409 CD GLU A 48 -29.739 2.431 24.960 1.00 0.00 C ATOM 410 OE1 GLU A 48 -29.776 2.480 23.742 1.00 0.00 O ATOM 411 OE2 GLU A 48 -30.292 1.570 25.626 1.00 0.00 O ATOM 0 H GLU A 48 -25.276 4.952 26.478 1.00 0.00 H new ATOM 0 HA GLU A 48 -27.625 3.709 27.814 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -26.946 3.559 24.892 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -27.364 2.046 25.672 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -29.338 3.631 26.712 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -29.073 4.473 25.199 1.00 0.00 H new ATOM 412 N GLN A 49 -26.143 1.409 27.727 1.00 0.00 N ATOM 413 CA GLN A 49 -25.148 0.394 28.183 1.00 0.00 C ATOM 414 C GLN A 49 -24.594 -0.355 26.969 1.00 0.00 C ATOM 415 O GLN A 49 -25.036 -0.156 25.853 1.00 0.00 O ATOM 416 CB GLN A 49 -25.828 -0.599 29.128 1.00 0.00 C ATOM 417 CG GLN A 49 -25.634 -0.140 30.575 1.00 0.00 C ATOM 418 CD GLN A 49 -26.408 1.159 30.806 1.00 0.00 C ATOM 419 OE1 GLN A 49 -27.624 1.164 30.813 1.00 0.00 O ATOM 420 NE2 GLN A 49 -25.752 2.270 31.000 1.00 0.00 N ATOM 0 H GLN A 49 -27.092 1.057 27.603 1.00 0.00 H new ATOM 0 HA GLN A 49 -24.333 0.893 28.707 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -26.891 -0.668 28.897 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -25.406 -1.595 28.991 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -25.983 -0.911 31.262 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -24.575 0.014 30.780 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -24.732 2.268 30.994 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -26.259 3.141 31.157 1.00 0.00 H new ATOM 421 N ALA A 50 -23.631 -1.215 27.181 1.00 0.00 N ATOM 422 CA ALA A 50 -23.041 -1.983 26.047 1.00 0.00 C ATOM 423 C ALA A 50 -24.110 -2.886 25.429 1.00 0.00 C ATOM 424 O ALA A 50 -24.312 -4.006 25.858 1.00 0.00 O ATOM 425 CB ALA A 50 -21.883 -2.843 26.560 1.00 0.00 C ATOM 0 H ALA A 50 -23.227 -1.418 28.095 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.672 -1.288 25.293 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.452 -3.404 25.731 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -21.120 -2.201 26.999 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -22.252 -3.537 27.315 1.00 0.00 H new ATOM 426 N GLY A 51 -24.797 -2.403 24.424 1.00 0.00 N ATOM 427 CA GLY A 51 -25.857 -3.225 23.771 1.00 0.00 C ATOM 428 C GLY A 51 -25.379 -3.672 22.389 1.00 0.00 C ATOM 429 O GLY A 51 -25.734 -4.735 21.914 1.00 0.00 O ATOM 0 H GLY A 51 -24.668 -1.472 24.028 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -26.088 -4.095 24.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -26.776 -2.646 23.680 1.00 0.00 H new ATOM 430 N GLY A 52 -24.574 -2.870 21.742 1.00 0.00 N ATOM 431 CA GLY A 52 -24.065 -3.240 20.388 1.00 0.00 C ATOM 432 C GLY A 52 -23.146 -4.457 20.501 1.00 0.00 C ATOM 433 O GLY A 52 -23.587 -5.587 20.421 1.00 0.00 O ATOM 0 H GLY A 52 -24.246 -1.971 22.095 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -24.899 -3.462 19.723 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -23.523 -2.402 19.950 1.00 0.00 H new ATOM 434 N ASP A 53 -21.869 -4.231 20.689 1.00 0.00 N ATOM 435 CA ASP A 53 -20.912 -5.369 20.809 1.00 0.00 C ATOM 436 C ASP A 53 -19.644 -4.895 21.523 1.00 0.00 C ATOM 437 O ASP A 53 -19.202 -5.498 22.484 1.00 0.00 O ATOM 438 CB ASP A 53 -20.549 -5.881 19.413 1.00 0.00 C ATOM 439 CG ASP A 53 -19.737 -7.171 19.537 1.00 0.00 C ATOM 440 OD1 ASP A 53 -18.524 -7.076 19.633 1.00 0.00 O ATOM 441 OD2 ASP A 53 -20.340 -8.230 19.531 1.00 0.00 O ATOM 0 H ASP A 53 -21.449 -3.304 20.764 1.00 0.00 H new ATOM 0 HA ASP A 53 -21.374 -6.173 21.382 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.454 -6.063 18.834 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.974 -5.127 18.876 1.00 0.00 H new ATOM 442 N ALA A 54 -19.059 -3.820 21.059 1.00 0.00 N ATOM 443 CA ALA A 54 -17.818 -3.299 21.704 1.00 0.00 C ATOM 444 C ALA A 54 -18.172 -2.116 22.608 1.00 0.00 C ATOM 445 O ALA A 54 -18.065 -2.195 23.818 1.00 0.00 O ATOM 446 CB ALA A 54 -16.837 -2.840 20.625 1.00 0.00 C ATOM 0 H ALA A 54 -19.389 -3.280 20.259 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.359 -4.088 22.300 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.930 -2.459 21.096 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.585 -3.682 19.980 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.295 -2.051 20.029 1.00 0.00 H new ATOM 447 N THR A 55 -18.591 -1.021 22.028 1.00 0.00 N ATOM 448 CA THR A 55 -18.955 0.174 22.844 1.00 0.00 C ATOM 449 C THR A 55 -20.429 0.517 22.618 1.00 0.00 C ATOM 450 O THR A 55 -21.263 0.299 23.477 1.00 0.00 O ATOM 451 CB THR A 55 -18.085 1.363 22.424 1.00 0.00 C ATOM 452 OG1 THR A 55 -17.789 1.263 21.038 1.00 0.00 O ATOM 453 CG2 THR A 55 -16.785 1.356 23.230 1.00 0.00 C ATOM 0 H THR A 55 -18.697 -0.903 21.020 1.00 0.00 H new ATOM 0 HA THR A 55 -18.790 -0.043 23.899 1.00 0.00 H new ATOM 0 HB THR A 55 -18.621 2.293 22.615 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.819 1.194 20.915 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.167 2.202 22.931 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.015 1.433 24.293 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.245 0.428 23.042 1.00 0.00 H new ATOM 454 N GLU A 56 -20.753 1.054 21.468 1.00 0.00 N ATOM 455 CA GLU A 56 -22.173 1.417 21.171 1.00 0.00 C ATOM 456 C GLU A 56 -22.669 2.441 22.195 1.00 0.00 C ATOM 457 O GLU A 56 -23.843 2.498 22.509 1.00 0.00 O ATOM 458 CB GLU A 56 -23.051 0.164 21.237 1.00 0.00 C ATOM 459 CG GLU A 56 -24.208 0.298 20.245 1.00 0.00 C ATOM 460 CD GLU A 56 -23.749 -0.159 18.860 1.00 0.00 C ATOM 461 OE1 GLU A 56 -22.613 0.119 18.512 1.00 0.00 O ATOM 462 OE2 GLU A 56 -24.540 -0.779 18.169 1.00 0.00 O ATOM 0 H GLU A 56 -20.092 1.257 20.719 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.230 1.847 20.171 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.459 -0.721 21.004 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.438 0.031 22.247 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.055 -0.303 20.575 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.548 1.333 20.204 1.00 0.00 H new ATOM 463 N ASN A 57 -21.781 3.252 22.715 1.00 0.00 N ATOM 464 CA ASN A 57 -22.191 4.278 23.718 1.00 0.00 C ATOM 465 C ASN A 57 -21.215 5.455 23.670 1.00 0.00 C ATOM 466 O ASN A 57 -21.538 6.520 23.178 1.00 0.00 O ATOM 467 CB ASN A 57 -22.174 3.657 25.117 1.00 0.00 C ATOM 468 CG ASN A 57 -23.274 2.599 25.220 1.00 0.00 C ATOM 469 OD1 ASN A 57 -23.005 1.453 25.524 1.00 0.00 O ATOM 470 ND2 ASN A 57 -24.512 2.935 24.979 1.00 0.00 N ATOM 0 H ASN A 57 -20.787 3.246 22.486 1.00 0.00 H new ATOM 0 HA ASN A 57 -23.197 4.631 23.489 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -21.202 3.206 25.314 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -22.326 4.429 25.871 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -25.252 2.236 25.046 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -24.739 3.896 24.724 1.00 0.00 H new ATOM 471 N PHE A 58 -20.022 5.269 24.178 1.00 0.00 N ATOM 472 CA PHE A 58 -19.016 6.371 24.166 1.00 0.00 C ATOM 473 C PHE A 58 -17.677 5.835 23.658 1.00 0.00 C ATOM 474 O PHE A 58 -16.980 5.119 24.353 1.00 0.00 O ATOM 475 CB PHE A 58 -18.839 6.932 25.583 1.00 0.00 C ATOM 476 CG PHE A 58 -18.595 5.804 26.560 1.00 0.00 C ATOM 477 CD1 PHE A 58 -19.662 5.004 26.988 1.00 0.00 C ATOM 478 CD2 PHE A 58 -17.304 5.564 27.042 1.00 0.00 C ATOM 479 CE1 PHE A 58 -19.436 3.962 27.896 1.00 0.00 C ATOM 480 CE2 PHE A 58 -17.077 4.523 27.950 1.00 0.00 C ATOM 481 CZ PHE A 58 -18.144 3.723 28.378 1.00 0.00 C ATOM 0 H PHE A 58 -19.702 4.398 24.601 1.00 0.00 H new ATOM 0 HA PHE A 58 -19.364 7.166 23.507 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.002 7.630 25.605 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -19.728 7.491 25.875 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.659 5.191 26.618 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.482 6.182 26.713 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -20.258 3.343 28.224 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -16.080 4.337 28.320 1.00 0.00 H new ATOM 0 HZ PHE A 58 -17.970 2.921 29.080 1.00 0.00 H new ATOM 482 N GLU A 59 -17.316 6.178 22.447 1.00 0.00 N ATOM 483 CA GLU A 59 -16.023 5.696 21.879 1.00 0.00 C ATOM 484 C GLU A 59 -15.474 6.742 20.908 1.00 0.00 C ATOM 485 O GLU A 59 -15.867 6.798 19.757 1.00 0.00 O ATOM 486 CB GLU A 59 -16.254 4.379 21.134 1.00 0.00 C ATOM 487 CG GLU A 59 -14.910 3.694 20.880 1.00 0.00 C ATOM 488 CD GLU A 59 -15.071 2.645 19.777 1.00 0.00 C ATOM 489 OE1 GLU A 59 -15.264 3.036 18.638 1.00 0.00 O ATOM 490 OE2 GLU A 59 -15.001 1.469 20.091 1.00 0.00 O ATOM 0 H GLU A 59 -17.864 6.773 21.826 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.307 5.537 22.685 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.902 3.727 21.719 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.762 4.568 20.189 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.163 4.432 20.588 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.551 3.223 21.795 1.00 0.00 H new ATOM 491 N ASP A 60 -14.570 7.571 21.364 1.00 0.00 N ATOM 492 CA ASP A 60 -13.990 8.619 20.475 1.00 0.00 C ATOM 493 C ASP A 60 -13.041 7.964 19.469 1.00 0.00 C ATOM 494 O ASP A 60 -12.682 6.810 19.602 1.00 0.00 O ATOM 495 CB ASP A 60 -13.218 9.629 21.325 1.00 0.00 C ATOM 496 CG ASP A 60 -12.993 10.911 20.519 1.00 0.00 C ATOM 497 OD1 ASP A 60 -13.871 11.266 19.751 1.00 0.00 O ATOM 498 OD2 ASP A 60 -11.946 11.516 20.685 1.00 0.00 O ATOM 0 H ASP A 60 -14.208 7.566 22.318 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.789 9.130 19.938 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.773 9.853 22.236 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.261 9.206 21.630 1.00 0.00 H new ATOM 499 N VAL A 61 -12.633 8.697 18.464 1.00 0.00 N ATOM 500 CA VAL A 61 -11.706 8.128 17.441 1.00 0.00 C ATOM 501 C VAL A 61 -10.507 9.072 17.218 1.00 0.00 C ATOM 502 O VAL A 61 -9.666 8.813 16.378 1.00 0.00 O ATOM 503 CB VAL A 61 -12.474 7.926 16.125 1.00 0.00 C ATOM 504 CG1 VAL A 61 -12.984 9.272 15.603 1.00 0.00 C ATOM 505 CG2 VAL A 61 -11.551 7.290 15.080 1.00 0.00 C ATOM 0 H VAL A 61 -12.903 9.668 18.308 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.324 7.169 17.792 1.00 0.00 H new ATOM 0 HB VAL A 61 -13.323 7.268 16.309 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -13.527 9.119 14.670 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.650 9.720 16.341 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.139 9.937 15.426 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.099 7.148 14.149 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.697 7.944 14.903 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.199 6.325 15.444 1.00 0.00 H new ATOM 506 N GLY A 62 -10.418 10.155 17.957 1.00 0.00 N ATOM 507 CA GLY A 62 -9.274 11.096 17.774 1.00 0.00 C ATOM 508 C GLY A 62 -7.966 10.384 18.128 1.00 0.00 C ATOM 509 O GLY A 62 -6.922 10.676 17.574 1.00 0.00 O ATOM 0 H GLY A 62 -11.089 10.424 18.677 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.241 11.449 16.743 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.406 11.973 18.407 1.00 0.00 H new ATOM 510 N HIS A 63 -8.019 9.454 19.047 1.00 0.00 N ATOM 511 CA HIS A 63 -6.785 8.716 19.444 1.00 0.00 C ATOM 512 C HIS A 63 -6.620 7.481 18.555 1.00 0.00 C ATOM 513 O HIS A 63 -6.969 6.379 18.935 1.00 0.00 O ATOM 514 CB HIS A 63 -6.900 8.280 20.907 1.00 0.00 C ATOM 515 CG HIS A 63 -6.729 9.477 21.802 1.00 0.00 C ATOM 516 ND1 HIS A 63 -5.563 10.226 21.821 1.00 0.00 N ATOM 517 CD2 HIS A 63 -7.568 10.068 22.714 1.00 0.00 C ATOM 518 CE1 HIS A 63 -5.731 11.214 22.717 1.00 0.00 C ATOM 519 NE2 HIS A 63 -6.935 11.165 23.291 1.00 0.00 N ATOM 0 H HIS A 63 -8.867 9.174 19.540 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.919 9.367 19.326 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.870 7.816 21.084 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.142 7.531 21.135 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -8.568 9.733 22.948 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.982 11.958 22.945 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.310 11.795 24.000 1.00 0.00 H new ATOM 520 N SER A 64 -6.092 7.662 17.370 1.00 0.00 N ATOM 521 CA SER A 64 -5.900 6.506 16.446 1.00 0.00 C ATOM 522 C SER A 64 -4.486 6.550 15.861 1.00 0.00 C ATOM 523 O SER A 64 -4.274 7.032 14.765 1.00 0.00 O ATOM 524 CB SER A 64 -6.924 6.584 15.313 1.00 0.00 C ATOM 525 OG SER A 64 -7.036 7.932 14.874 1.00 0.00 O ATOM 0 H SER A 64 -5.786 8.563 17.003 1.00 0.00 H new ATOM 0 HA SER A 64 -6.037 5.575 16.995 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.618 5.944 14.486 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.892 6.219 15.656 1.00 0.00 H new ATOM 0 HG SER A 64 -7.832 8.341 15.273 1.00 0.00 H new ATOM 526 N THR A 65 -3.519 6.049 16.589 1.00 0.00 N ATOM 527 CA THR A 65 -2.115 6.056 16.086 1.00 0.00 C ATOM 528 C THR A 65 -1.210 5.344 17.094 1.00 0.00 C ATOM 529 O THR A 65 -0.315 4.608 16.724 1.00 0.00 O ATOM 530 CB THR A 65 -1.642 7.501 15.909 1.00 0.00 C ATOM 531 OG1 THR A 65 -0.264 7.508 15.566 1.00 0.00 O ATOM 532 CG2 THR A 65 -1.849 8.272 17.214 1.00 0.00 C ATOM 0 H THR A 65 -3.644 5.635 17.513 1.00 0.00 H new ATOM 0 HA THR A 65 -2.070 5.540 15.127 1.00 0.00 H new ATOM 0 HB THR A 65 -2.217 7.976 15.114 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.275 7.381 16.375 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.512 9.301 17.086 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.907 8.267 17.476 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.276 7.799 18.011 1.00 0.00 H new ATOM 533 N ASP A 66 -1.439 5.559 18.363 1.00 0.00 N ATOM 534 CA ASP A 66 -0.599 4.899 19.405 1.00 0.00 C ATOM 535 C ASP A 66 -1.505 4.255 20.457 1.00 0.00 C ATOM 536 O ASP A 66 -1.291 3.129 20.865 1.00 0.00 O ATOM 537 CB ASP A 66 0.297 5.943 20.075 1.00 0.00 C ATOM 538 CG ASP A 66 1.409 6.354 19.110 1.00 0.00 C ATOM 539 OD1 ASP A 66 1.093 6.691 17.980 1.00 0.00 O ATOM 540 OD2 ASP A 66 2.560 6.326 19.516 1.00 0.00 O ATOM 0 H ASP A 66 -2.175 6.166 18.724 1.00 0.00 H new ATOM 0 HA ASP A 66 0.021 4.133 18.940 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.292 6.814 20.360 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.727 5.536 20.990 1.00 0.00 H new ATOM 541 N ALA A 67 -2.514 4.963 20.895 1.00 0.00 N ATOM 542 CA ALA A 67 -3.441 4.402 21.922 1.00 0.00 C ATOM 543 C ALA A 67 -4.527 3.576 21.228 1.00 0.00 C ATOM 544 O ALA A 67 -4.418 3.249 20.061 1.00 0.00 O ATOM 545 CB ALA A 67 -4.092 5.546 22.704 1.00 0.00 C ATOM 0 H ALA A 67 -2.736 5.909 20.584 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.882 3.767 22.609 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.769 5.136 23.454 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.319 6.136 23.197 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.652 6.182 22.019 1.00 0.00 H new ATOM 546 N ARG A 68 -5.572 3.236 21.941 1.00 0.00 N ATOM 547 CA ARG A 68 -6.670 2.429 21.331 1.00 0.00 C ATOM 548 C ARG A 68 -7.952 2.618 22.143 1.00 0.00 C ATOM 549 O ARG A 68 -8.095 2.083 23.225 1.00 0.00 O ATOM 550 CB ARG A 68 -6.279 0.952 21.330 1.00 0.00 C ATOM 551 CG ARG A 68 -5.485 0.633 20.063 1.00 0.00 C ATOM 552 CD ARG A 68 -5.538 -0.871 19.790 1.00 0.00 C ATOM 553 NE ARG A 68 -4.485 -1.560 20.591 1.00 0.00 N ATOM 554 CZ ARG A 68 -3.997 -2.699 20.184 1.00 0.00 C ATOM 555 NH1 ARG A 68 -4.801 -3.675 19.858 1.00 0.00 N ATOM 556 NH2 ARG A 68 -2.706 -2.865 20.103 1.00 0.00 N ATOM 0 H ARG A 68 -5.711 3.484 22.921 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.837 2.759 20.306 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.682 0.723 22.213 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.172 0.329 21.378 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.897 1.181 19.216 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.450 0.956 20.179 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.521 -1.264 20.048 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.387 -1.064 18.728 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.147 -1.140 21.457 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.811 -3.547 19.922 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.419 -4.566 19.540 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.077 -2.104 20.358 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.325 -3.756 19.785 1.00 0.00 H new ATOM 557 N GLU A 69 -8.890 3.373 21.624 1.00 0.00 N ATOM 558 CA GLU A 69 -10.176 3.610 22.352 1.00 0.00 C ATOM 559 C GLU A 69 -9.902 4.378 23.646 1.00 0.00 C ATOM 560 O GLU A 69 -8.914 4.150 24.318 1.00 0.00 O ATOM 561 CB GLU A 69 -10.843 2.268 22.685 1.00 0.00 C ATOM 562 CG GLU A 69 -12.348 2.475 22.879 1.00 0.00 C ATOM 563 CD GLU A 69 -13.106 1.264 22.334 1.00 0.00 C ATOM 564 OE1 GLU A 69 -12.746 0.795 21.267 1.00 0.00 O ATOM 565 OE2 GLU A 69 -14.036 0.827 22.992 1.00 0.00 O ATOM 0 H GLU A 69 -8.819 3.839 20.719 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.841 4.194 21.717 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.665 1.553 21.882 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.404 1.847 23.590 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.573 2.612 23.937 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.670 3.380 22.365 1.00 0.00 H new ATOM 566 N LEU A 70 -10.775 5.288 24.000 1.00 0.00 N ATOM 567 CA LEU A 70 -10.578 6.078 25.251 1.00 0.00 C ATOM 568 C LEU A 70 -10.782 5.185 26.484 1.00 0.00 C ATOM 569 O LEU A 70 -10.483 5.585 27.595 1.00 0.00 O ATOM 570 CB LEU A 70 -11.584 7.234 25.287 1.00 0.00 C ATOM 571 CG LEU A 70 -11.254 8.186 26.442 1.00 0.00 C ATOM 572 CD1 LEU A 70 -9.838 8.748 26.284 1.00 0.00 C ATOM 573 CD2 LEU A 70 -12.257 9.343 26.443 1.00 0.00 C ATOM 0 H LEU A 70 -11.618 5.517 23.474 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.562 6.471 25.264 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.561 7.776 24.341 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.595 6.843 25.406 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.313 7.636 27.381 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.620 9.422 27.112 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.119 7.929 26.284 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.766 9.294 25.343 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.027 10.023 27.263 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.194 9.880 25.497 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.266 8.950 26.570 1.00 0.00 H new ATOM 574 N SER A 71 -11.289 3.987 26.306 1.00 0.00 N ATOM 575 CA SER A 71 -11.509 3.084 27.473 1.00 0.00 C ATOM 576 C SER A 71 -10.162 2.711 28.097 1.00 0.00 C ATOM 577 O SER A 71 -9.530 1.749 27.702 1.00 0.00 O ATOM 578 CB SER A 71 -12.223 1.814 27.008 1.00 0.00 C ATOM 579 OG SER A 71 -11.766 1.469 25.706 1.00 0.00 O ATOM 0 H SER A 71 -11.559 3.599 25.402 1.00 0.00 H new ATOM 0 HA SER A 71 -12.122 3.596 28.215 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.027 0.998 27.703 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.301 1.972 26.998 1.00 0.00 H new ATOM 0 HG SER A 71 -10.791 1.374 25.716 1.00 0.00 H new ATOM 580 N LYS A 72 -9.724 3.466 29.072 1.00 0.00 N ATOM 581 CA LYS A 72 -8.421 3.165 29.736 1.00 0.00 C ATOM 582 C LYS A 72 -8.228 4.117 30.917 1.00 0.00 C ATOM 583 O LYS A 72 -7.821 3.713 31.991 1.00 0.00 O ATOM 584 CB LYS A 72 -7.276 3.346 28.736 1.00 0.00 C ATOM 585 CG LYS A 72 -7.365 4.731 28.093 1.00 0.00 C ATOM 586 CD LYS A 72 -6.353 4.830 26.950 1.00 0.00 C ATOM 587 CE LYS A 72 -5.019 5.345 27.492 1.00 0.00 C ATOM 588 NZ LYS A 72 -4.356 6.190 26.459 1.00 0.00 N ATOM 0 H LYS A 72 -10.216 4.281 29.438 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.423 2.135 30.092 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.317 3.231 29.242 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.326 2.574 27.968 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.373 4.904 27.716 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.166 5.502 28.837 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.216 3.853 26.486 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.727 5.501 26.177 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.183 5.924 28.401 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.375 4.507 27.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.449 6.540 26.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.187 5.624 25.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.969 6.997 26.224 1.00 0.00 H new ATOM 589 N THR A 73 -8.526 5.378 30.728 1.00 0.00 N ATOM 590 CA THR A 73 -8.369 6.365 31.839 1.00 0.00 C ATOM 591 C THR A 73 -9.735 6.636 32.475 1.00 0.00 C ATOM 592 O THR A 73 -9.996 7.721 32.961 1.00 0.00 O ATOM 593 CB THR A 73 -7.786 7.677 31.297 1.00 0.00 C ATOM 594 OG1 THR A 73 -7.705 8.625 32.352 1.00 0.00 O ATOM 595 CG2 THR A 73 -8.673 8.236 30.179 1.00 0.00 C ATOM 0 H THR A 73 -8.872 5.767 29.851 1.00 0.00 H new ATOM 0 HA THR A 73 -7.690 5.957 32.588 1.00 0.00 H new ATOM 0 HB THR A 73 -6.792 7.482 30.893 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.400 8.436 33.016 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.245 9.166 29.806 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.733 7.512 29.366 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.673 8.427 30.569 1.00 0.00 H new ATOM 596 N TYR A 74 -10.607 5.656 32.476 1.00 0.00 N ATOM 597 CA TYR A 74 -11.957 5.854 33.082 1.00 0.00 C ATOM 598 C TYR A 74 -12.454 4.547 33.714 1.00 0.00 C ATOM 599 O TYR A 74 -13.634 4.394 33.972 1.00 0.00 O ATOM 600 CB TYR A 74 -12.941 6.297 31.997 1.00 0.00 C ATOM 601 CG TYR A 74 -12.521 7.643 31.457 1.00 0.00 C ATOM 602 CD1 TYR A 74 -12.730 8.799 32.220 1.00 0.00 C ATOM 603 CD2 TYR A 74 -11.917 7.740 30.198 1.00 0.00 C ATOM 604 CE1 TYR A 74 -12.336 10.046 31.726 1.00 0.00 C ATOM 605 CE2 TYR A 74 -11.522 8.990 29.706 1.00 0.00 C ATOM 606 CZ TYR A 74 -11.731 10.142 30.470 1.00 0.00 C ATOM 607 OH TYR A 74 -11.341 11.373 29.983 1.00 0.00 O ATOM 0 H TYR A 74 -10.440 4.730 32.083 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.888 6.619 33.856 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.967 5.562 31.192 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.949 6.356 32.407 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.196 8.727 33.191 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.756 6.851 29.606 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.499 10.936 32.316 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.055 9.064 28.735 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.104 11.960 30.731 1.00 0.00 H new ATOM 608 N ILE A 75 -11.574 3.604 33.967 1.00 0.00 N ATOM 609 CA ILE A 75 -12.017 2.316 34.583 1.00 0.00 C ATOM 610 C ILE A 75 -11.682 2.320 36.074 1.00 0.00 C ATOM 611 O ILE A 75 -10.726 2.937 36.505 1.00 0.00 O ATOM 612 CB ILE A 75 -11.320 1.122 33.917 1.00 0.00 C ATOM 613 CG1 ILE A 75 -11.256 1.331 32.396 1.00 0.00 C ATOM 614 CG2 ILE A 75 -12.117 -0.150 34.228 1.00 0.00 C ATOM 615 CD1 ILE A 75 -10.513 0.163 31.739 1.00 0.00 C ATOM 0 H ILE A 75 -10.575 3.673 33.774 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.093 2.220 34.439 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.304 1.030 34.302 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.264 1.408 31.988 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.749 2.269 32.170 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.632 -1.007 33.760 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.157 -0.300 35.307 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.130 -0.049 33.838 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.472 0.318 30.661 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.500 0.107 32.137 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.038 -0.768 31.952 1.00 0.00 H new ATOM 616 N ILE A 76 -12.467 1.634 36.860 1.00 0.00 N ATOM 617 CA ILE A 76 -12.215 1.582 38.334 1.00 0.00 C ATOM 618 C ILE A 76 -11.853 0.155 38.743 1.00 0.00 C ATOM 619 O ILE A 76 -11.013 -0.061 39.597 1.00 0.00 O ATOM 620 CB ILE A 76 -13.461 2.022 39.121 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.753 1.619 38.389 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.436 3.541 39.304 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.872 1.391 39.408 1.00 0.00 C ATOM 0 H ILE A 76 -13.279 1.103 36.544 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.393 2.261 38.562 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.446 1.525 40.091 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -15.042 2.399 37.685 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.586 0.712 37.808 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.318 3.855 39.862 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.539 3.827 39.853 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.433 4.025 38.327 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.786 1.106 38.887 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.582 0.596 40.095 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.046 2.309 39.969 1.00 0.00 H new ATOM 624 N GLY A 77 -12.489 -0.817 38.146 1.00 0.00 N ATOM 625 CA GLY A 77 -12.197 -2.238 38.500 1.00 0.00 C ATOM 626 C GLY A 77 -12.801 -3.166 37.443 1.00 0.00 C ATOM 627 O GLY A 77 -12.874 -2.823 36.278 1.00 0.00 O ATOM 0 H GLY A 77 -13.200 -0.689 37.426 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.120 -2.394 38.562 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.610 -2.471 39.481 1.00 0.00 H new ATOM 628 N GLU A 78 -13.236 -4.334 37.844 1.00 0.00 N ATOM 629 CA GLU A 78 -13.838 -5.287 36.866 1.00 0.00 C ATOM 630 C GLU A 78 -15.233 -5.700 37.346 1.00 0.00 C ATOM 631 O GLU A 78 -15.728 -5.201 38.336 1.00 0.00 O ATOM 632 CB GLU A 78 -12.956 -6.530 36.744 1.00 0.00 C ATOM 633 CG GLU A 78 -11.710 -6.194 35.921 1.00 0.00 C ATOM 634 CD GLU A 78 -11.089 -7.484 35.381 1.00 0.00 C ATOM 635 OE1 GLU A 78 -11.161 -8.488 36.069 1.00 0.00 O ATOM 636 OE2 GLU A 78 -10.551 -7.444 34.286 1.00 0.00 O ATOM 0 H GLU A 78 -13.200 -4.668 38.807 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.914 -4.801 35.893 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.667 -6.882 37.734 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.512 -7.338 36.268 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.974 -5.532 35.096 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.987 -5.661 36.538 1.00 0.00 H new ATOM 637 N LEU A 79 -15.865 -6.610 36.649 1.00 0.00 N ATOM 638 CA LEU A 79 -17.227 -7.064 37.057 1.00 0.00 C ATOM 639 C LEU A 79 -17.115 -8.383 37.823 1.00 0.00 C ATOM 640 O LEU A 79 -16.388 -9.277 37.437 1.00 0.00 O ATOM 641 CB LEU A 79 -18.089 -7.279 35.803 1.00 0.00 C ATOM 642 CG LEU A 79 -19.572 -6.996 36.101 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.086 -7.933 37.194 1.00 0.00 C ATOM 644 CD2 LEU A 79 -19.748 -5.542 36.553 1.00 0.00 C ATOM 0 H LEU A 79 -15.494 -7.059 35.812 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.687 -6.308 37.694 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.743 -6.625 35.003 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -17.974 -8.304 35.449 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.145 -7.166 35.189 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.136 -7.719 37.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -19.982 -8.967 36.865 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.507 -7.782 38.105 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -20.801 -5.351 36.762 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.162 -5.368 37.455 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.407 -4.872 35.764 1.00 0.00 H new ATOM 645 N HIS A 80 -17.848 -8.512 38.902 1.00 0.00 N ATOM 646 CA HIS A 80 -17.818 -9.773 39.708 1.00 0.00 C ATOM 647 C HIS A 80 -18.119 -10.977 38.783 1.00 0.00 C ATOM 648 O HIS A 80 -18.945 -10.863 37.901 1.00 0.00 O ATOM 649 CB HIS A 80 -18.891 -9.669 40.798 1.00 0.00 C ATOM 650 CG HIS A 80 -18.598 -10.643 41.903 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.358 -11.786 42.094 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.629 -10.670 42.876 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.839 -12.451 43.139 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.786 -11.812 43.652 1.00 0.00 N ATOM 0 H HIS A 80 -18.472 -7.790 39.262 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.838 -9.915 40.164 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.920 -8.654 41.195 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.874 -9.874 40.373 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.864 -9.920 43.016 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.226 -13.386 43.517 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.216 -12.101 44.447 1.00 0.00 H new ATOM 655 N PRO A 81 -17.444 -12.095 38.988 1.00 0.00 N ATOM 656 CA PRO A 81 -17.639 -13.321 38.145 1.00 0.00 C ATOM 657 C PRO A 81 -18.981 -14.001 38.449 1.00 0.00 C ATOM 658 O PRO A 81 -19.450 -14.823 37.687 1.00 0.00 O ATOM 659 CB PRO A 81 -16.462 -14.213 38.521 1.00 0.00 C ATOM 660 CG PRO A 81 -16.001 -13.778 39.899 1.00 0.00 C ATOM 661 CD PRO A 81 -16.417 -12.316 40.070 1.00 0.00 C ATOM 0 HA PRO A 81 -17.669 -13.097 37.079 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.759 -15.262 38.527 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.655 -14.114 37.795 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.453 -14.400 40.671 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.921 -13.885 39.996 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.836 -12.134 41.060 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.567 -11.644 39.955 1.00 0.00 H new ATOM 662 N ASP A 82 -19.608 -13.659 39.549 1.00 0.00 N ATOM 663 CA ASP A 82 -20.923 -14.280 39.892 1.00 0.00 C ATOM 664 C ASP A 82 -21.924 -14.068 38.744 1.00 0.00 C ATOM 665 O ASP A 82 -22.889 -14.800 38.618 1.00 0.00 O ATOM 666 CB ASP A 82 -21.471 -13.637 41.168 1.00 0.00 C ATOM 667 CG ASP A 82 -22.730 -14.382 41.615 1.00 0.00 C ATOM 668 OD1 ASP A 82 -22.724 -15.601 41.564 1.00 0.00 O ATOM 669 OD2 ASP A 82 -23.681 -13.721 42.002 1.00 0.00 O ATOM 0 H ASP A 82 -19.264 -12.976 40.224 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.781 -15.349 40.048 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -20.718 -13.668 41.956 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.701 -12.587 40.989 1.00 0.00 H new ATOM 670 N ASP A 83 -21.706 -13.075 37.908 1.00 0.00 N ATOM 671 CA ASP A 83 -22.652 -12.830 36.780 1.00 0.00 C ATOM 672 C ASP A 83 -21.874 -12.576 35.484 1.00 0.00 C ATOM 673 O ASP A 83 -22.106 -13.221 34.479 1.00 0.00 O ATOM 674 CB ASP A 83 -23.517 -11.609 37.099 1.00 0.00 C ATOM 675 CG ASP A 83 -24.781 -12.058 37.836 1.00 0.00 C ATOM 676 OD1 ASP A 83 -24.662 -12.479 38.974 1.00 0.00 O ATOM 677 OD2 ASP A 83 -25.847 -11.973 37.248 1.00 0.00 O ATOM 0 H ASP A 83 -20.917 -12.430 37.962 1.00 0.00 H new ATOM 0 HA ASP A 83 -23.285 -13.708 36.650 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -22.957 -10.903 37.712 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -23.785 -11.089 36.179 1.00 0.00 H new ATOM 678 N ARG A 84 -20.967 -11.631 35.494 1.00 0.00 N ATOM 679 CA ARG A 84 -20.185 -11.321 34.259 1.00 0.00 C ATOM 680 C ARG A 84 -18.901 -12.162 34.207 1.00 0.00 C ATOM 681 O ARG A 84 -17.830 -11.655 33.925 1.00 0.00 O ATOM 682 CB ARG A 84 -19.826 -9.832 34.250 1.00 0.00 C ATOM 683 CG ARG A 84 -20.920 -9.047 33.523 1.00 0.00 C ATOM 684 CD ARG A 84 -22.221 -9.118 34.324 1.00 0.00 C ATOM 685 NE ARG A 84 -23.308 -8.434 33.570 1.00 0.00 N ATOM 686 CZ ARG A 84 -24.430 -9.055 33.334 1.00 0.00 C ATOM 687 NH1 ARG A 84 -24.416 -10.268 32.854 1.00 0.00 N ATOM 688 NH2 ARG A 84 -25.568 -8.464 33.579 1.00 0.00 N ATOM 0 H ARG A 84 -20.734 -11.060 36.307 1.00 0.00 H new ATOM 0 HA ARG A 84 -20.792 -11.562 33.386 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -19.719 -9.467 35.271 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.866 -9.682 33.756 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -20.614 -8.008 33.398 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -21.073 -9.457 32.525 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -22.491 -10.158 34.508 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -22.087 -8.646 35.298 1.00 0.00 H new ATOM 0 HE ARG A 84 -23.175 -7.479 33.238 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -23.527 -10.731 32.663 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -25.294 -10.754 32.669 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -25.580 -7.516 33.955 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -26.445 -8.950 33.394 1.00 0.00 H new ATOM 689 N SER A 85 -19.000 -13.443 34.464 1.00 0.00 N ATOM 690 CA SER A 85 -17.787 -14.314 34.415 1.00 0.00 C ATOM 691 C SER A 85 -17.632 -14.876 32.997 1.00 0.00 C ATOM 692 O SER A 85 -16.793 -14.434 32.235 1.00 0.00 O ATOM 693 CB SER A 85 -17.936 -15.460 35.421 1.00 0.00 C ATOM 694 OG SER A 85 -17.072 -16.533 35.061 1.00 0.00 O ATOM 0 H SER A 85 -19.868 -13.922 34.705 1.00 0.00 H new ATOM 0 HA SER A 85 -16.902 -13.732 34.673 1.00 0.00 H new ATOM 0 HB2 SER A 85 -17.696 -15.109 36.425 1.00 0.00 H new ATOM 0 HB3 SER A 85 -18.970 -15.805 35.443 1.00 0.00 H new ATOM 0 HG SER A 85 -17.169 -17.263 35.708 1.00 0.00 H new ATOM 695 N LYS A 86 -18.435 -15.847 32.645 1.00 0.00 N ATOM 696 CA LYS A 86 -18.343 -16.446 31.282 1.00 0.00 C ATOM 697 C LYS A 86 -19.448 -17.493 31.111 1.00 0.00 C ATOM 698 O LYS A 86 -19.250 -18.520 30.490 1.00 0.00 O ATOM 699 CB LYS A 86 -16.977 -17.113 31.107 1.00 0.00 C ATOM 700 CG LYS A 86 -16.532 -16.992 29.648 1.00 0.00 C ATOM 701 CD LYS A 86 -15.233 -17.773 29.444 1.00 0.00 C ATOM 702 CE LYS A 86 -14.497 -17.228 28.217 1.00 0.00 C ATOM 703 NZ LYS A 86 -13.664 -18.308 27.618 1.00 0.00 N ATOM 0 H LYS A 86 -19.153 -16.252 33.246 1.00 0.00 H new ATOM 0 HA LYS A 86 -18.463 -15.664 30.532 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.244 -16.642 31.762 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.034 -18.163 31.395 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.308 -17.378 28.987 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.383 -15.944 29.388 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.602 -17.687 30.328 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.450 -18.833 29.310 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.214 -16.858 27.484 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.868 -16.384 28.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.164 -17.939 26.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.971 -18.641 28.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.275 -19.100 27.332 1.00 0.00 H new ATOM 704 N ILE A 87 -20.607 -17.236 31.662 1.00 0.00 N ATOM 705 CA ILE A 87 -21.732 -18.209 31.540 1.00 0.00 C ATOM 706 C ILE A 87 -22.959 -17.502 30.959 1.00 0.00 C ATOM 707 O ILE A 87 -24.086 -17.869 31.237 1.00 0.00 O ATOM 708 CB ILE A 87 -22.074 -18.767 32.924 1.00 0.00 C ATOM 709 CG1 ILE A 87 -22.337 -17.609 33.890 1.00 0.00 C ATOM 710 CG2 ILE A 87 -20.904 -19.606 33.440 1.00 0.00 C ATOM 711 CD1 ILE A 87 -23.071 -18.131 35.126 1.00 0.00 C ATOM 0 H ILE A 87 -20.822 -16.392 32.192 1.00 0.00 H new ATOM 0 HA ILE A 87 -21.437 -19.025 30.880 1.00 0.00 H new ATOM 0 HB ILE A 87 -22.965 -19.391 32.854 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -21.395 -17.145 34.183 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -22.932 -16.840 33.398 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -21.148 -20.003 34.425 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -20.717 -20.431 32.753 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -20.013 -18.983 33.510 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -23.258 -17.306 35.814 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -24.020 -18.575 34.825 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -22.459 -18.885 35.621 1.00 0.00 H new