USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.13! C(o=-2.1!,f=-3.5!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 119:sc= 1.53 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.72! C(o=-5.7!,f=-8!) USER MOD Single : A 66 SER OG : rot -40:sc= -0.136! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -44:sc= -4.71! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -18.5! C(o=-18!,f=-18!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -79:sc= -2.48! USER MOD Single : A 111 THR OG1 : rot 66:sc= -0.121! USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 126 SER OG : rot 159:sc= 0.737 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 35 -3.278 -19.220 -9.772 1.00 0.00 N ATOM 2 CA SER A 35 -3.186 -17.828 -10.295 1.00 0.00 C ATOM 3 C SER A 35 -3.433 -16.824 -9.168 1.00 0.00 C ATOM 4 O SER A 35 -4.446 -16.154 -9.132 1.00 0.00 O ATOM 5 CB SER A 35 -4.285 -17.729 -11.352 1.00 0.00 C ATOM 6 OG SER A 35 -3.701 -17.801 -12.645 1.00 0.00 O ATOM 0 HA SER A 35 -2.202 -17.606 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.006 -18.536 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.831 -16.792 -11.239 1.00 0.00 H new ATOM 0 HG SER A 35 -4.404 -17.739 -13.325 1.00 0.00 H new ATOM 12 N ASN A 36 -2.516 -16.714 -8.247 1.00 0.00 N ATOM 13 CA ASN A 36 -2.703 -15.752 -7.124 1.00 0.00 C ATOM 14 C ASN A 36 -1.778 -14.549 -7.301 1.00 0.00 C ATOM 15 O ASN A 36 -2.159 -13.422 -7.065 1.00 0.00 O ATOM 16 CB ASN A 36 -2.330 -16.533 -5.864 1.00 0.00 C ATOM 17 CG ASN A 36 -3.362 -17.636 -5.625 1.00 0.00 C ATOM 18 OD1 ASN A 36 -4.450 -17.373 -5.151 1.00 0.00 O ATOM 19 ND2 ASN A 36 -3.068 -18.867 -5.940 1.00 0.00 N ATOM 0 H ASN A 36 -1.647 -17.247 -8.223 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.721 -15.367 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.336 -16.967 -5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.293 -15.863 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.751 -19.609 -5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.155 -19.087 -6.338 1.00 0.00 H new ATOM 26 N ALA A 37 -0.562 -14.785 -7.710 1.00 0.00 N ATOM 27 CA ALA A 37 0.397 -13.671 -7.903 1.00 0.00 C ATOM 28 C ALA A 37 -0.307 -12.462 -8.523 1.00 0.00 C ATOM 29 O ALA A 37 -1.212 -12.604 -9.322 1.00 0.00 O ATOM 30 CB ALA A 37 1.459 -14.223 -8.855 1.00 0.00 C ATOM 0 H ALA A 37 -0.192 -15.712 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 37 0.830 -13.333 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.208 -13.456 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.937 -15.091 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.989 -14.516 -9.794 1.00 0.00 H new ATOM 36 N VAL A 38 0.097 -11.274 -8.165 1.00 0.00 N ATOM 37 CA VAL A 38 -0.560 -10.064 -8.739 1.00 0.00 C ATOM 38 C VAL A 38 0.476 -9.177 -9.429 1.00 0.00 C ATOM 39 O VAL A 38 1.665 -9.404 -9.331 1.00 0.00 O ATOM 40 CB VAL A 38 -1.174 -9.335 -7.544 1.00 0.00 C ATOM 41 CG1 VAL A 38 -1.918 -10.335 -6.658 1.00 0.00 C ATOM 42 CG2 VAL A 38 -0.065 -8.661 -6.730 1.00 0.00 C ATOM 0 H VAL A 38 0.850 -11.088 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.310 -10.321 -9.487 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.873 -8.580 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.355 -9.812 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.709 -10.814 -7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.221 -11.093 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.504 -8.141 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.635 -9.417 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.464 -7.945 -7.359 1.00 0.00 H new ATOM 52 N VAL A 39 0.035 -8.162 -10.118 1.00 0.00 N ATOM 53 CA VAL A 39 1.001 -7.256 -10.802 1.00 0.00 C ATOM 54 C VAL A 39 0.666 -5.800 -10.496 1.00 0.00 C ATOM 55 O VAL A 39 -0.401 -5.318 -10.815 1.00 0.00 O ATOM 56 CB VAL A 39 0.829 -7.516 -12.298 1.00 0.00 C ATOM 57 CG1 VAL A 39 -0.603 -7.171 -12.711 1.00 0.00 C ATOM 58 CG2 VAL A 39 1.805 -6.627 -13.077 1.00 0.00 C ATOM 0 H VAL A 39 -0.949 -7.921 -10.237 1.00 0.00 H new ATOM 0 HA VAL A 39 2.022 -7.440 -10.469 1.00 0.00 H new ATOM 0 HB VAL A 39 1.030 -8.565 -12.514 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.728 -7.356 -13.778 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.303 -7.791 -12.151 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.800 -6.120 -12.499 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.688 -6.807 -14.146 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.595 -5.580 -12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.827 -6.861 -12.780 1.00 0.00 H new ATOM 68 N LEU A 40 1.580 -5.089 -9.910 1.00 0.00 N ATOM 69 CA LEU A 40 1.333 -3.666 -9.617 1.00 0.00 C ATOM 70 C LEU A 40 1.393 -2.891 -10.928 1.00 0.00 C ATOM 71 O LEU A 40 1.992 -3.335 -11.886 1.00 0.00 O ATOM 72 CB LEU A 40 2.489 -3.261 -8.703 1.00 0.00 C ATOM 73 CG LEU A 40 2.107 -2.002 -7.946 1.00 0.00 C ATOM 74 CD1 LEU A 40 2.898 -1.930 -6.640 1.00 0.00 C ATOM 75 CD2 LEU A 40 2.418 -0.773 -8.805 1.00 0.00 C ATOM 0 H LEU A 40 2.493 -5.439 -9.621 1.00 0.00 H new ATOM 0 HA LEU A 40 0.365 -3.473 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.715 -4.066 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.390 -3.087 -9.291 1.00 0.00 H new ATOM 0 HG LEU A 40 1.041 -2.024 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.623 -1.026 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.671 -2.803 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.965 -1.910 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.143 0.130 -8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.483 -0.749 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.849 -0.824 -9.733 1.00 0.00 H new ATOM 87 N VAL A 41 0.792 -1.744 -10.987 1.00 0.00 N ATOM 88 CA VAL A 41 0.829 -0.958 -12.245 1.00 0.00 C ATOM 89 C VAL A 41 0.515 0.506 -11.971 1.00 0.00 C ATOM 90 O VAL A 41 -0.567 0.866 -11.561 1.00 0.00 O ATOM 91 CB VAL A 41 -0.237 -1.580 -13.143 1.00 0.00 C ATOM 92 CG1 VAL A 41 -0.572 -0.619 -14.281 1.00 0.00 C ATOM 93 CG2 VAL A 41 0.298 -2.892 -13.718 1.00 0.00 C ATOM 0 H VAL A 41 0.276 -1.315 -10.219 1.00 0.00 H new ATOM 0 HA VAL A 41 1.814 -0.984 -12.711 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.139 -1.775 -12.563 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.333 -1.065 -14.921 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.948 0.317 -13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.326 -0.422 -14.867 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.458 -3.343 -14.361 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.198 -2.694 -14.300 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.536 -3.576 -12.903 1.00 0.00 H new ATOM 103 N LEU A 42 1.459 1.350 -12.223 1.00 0.00 N ATOM 104 CA LEU A 42 1.254 2.792 -12.016 1.00 0.00 C ATOM 105 C LEU A 42 1.871 3.548 -13.191 1.00 0.00 C ATOM 106 O LEU A 42 2.269 2.956 -14.175 1.00 0.00 O ATOM 107 CB LEU A 42 1.986 3.129 -10.722 1.00 0.00 C ATOM 108 CG LEU A 42 1.004 3.077 -9.554 1.00 0.00 C ATOM 109 CD1 LEU A 42 1.759 2.740 -8.270 1.00 0.00 C ATOM 110 CD2 LEU A 42 0.324 4.440 -9.406 1.00 0.00 C ATOM 0 H LEU A 42 2.383 1.094 -12.571 1.00 0.00 H new ATOM 0 HA LEU A 42 0.200 3.064 -11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.801 2.424 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.433 4.121 -10.792 1.00 0.00 H new ATOM 0 HG LEU A 42 0.251 2.312 -9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.059 2.703 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.247 1.771 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.511 3.505 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.378 4.408 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.078 5.204 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.213 4.680 -10.324 1.00 0.00 H new ATOM 122 N MET A 43 1.979 4.838 -13.099 1.00 0.00 N ATOM 123 CA MET A 43 2.600 5.602 -14.218 1.00 0.00 C ATOM 124 C MET A 43 3.998 6.074 -13.803 1.00 0.00 C ATOM 125 O MET A 43 4.272 6.283 -12.636 1.00 0.00 O ATOM 126 CB MET A 43 1.659 6.782 -14.481 1.00 0.00 C ATOM 127 CG MET A 43 1.933 7.911 -13.487 1.00 0.00 C ATOM 128 SD MET A 43 0.904 9.339 -13.913 1.00 0.00 S ATOM 129 CE MET A 43 2.185 10.605 -13.740 1.00 0.00 C ATOM 0 H MET A 43 1.668 5.398 -12.305 1.00 0.00 H new ATOM 0 HA MET A 43 2.726 5.002 -15.119 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.795 7.144 -15.500 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.623 6.456 -14.395 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.714 7.579 -12.472 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.987 8.186 -13.512 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.761 11.584 -13.961 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.568 10.598 -12.720 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.999 10.397 -14.435 1.00 0.00 H new ATOM 139 N LYS A 44 4.887 6.225 -14.744 1.00 0.00 N ATOM 140 CA LYS A 44 6.276 6.662 -14.405 1.00 0.00 C ATOM 141 C LYS A 44 6.259 7.813 -13.393 1.00 0.00 C ATOM 142 O LYS A 44 5.996 8.949 -13.734 1.00 0.00 O ATOM 143 CB LYS A 44 6.876 7.133 -15.728 1.00 0.00 C ATOM 144 CG LYS A 44 7.936 6.133 -16.190 1.00 0.00 C ATOM 145 CD LYS A 44 9.301 6.823 -16.237 1.00 0.00 C ATOM 146 CE LYS A 44 10.409 5.776 -16.107 1.00 0.00 C ATOM 147 NZ LYS A 44 11.498 6.463 -15.360 1.00 0.00 N ATOM 0 H LYS A 44 4.714 6.065 -15.736 1.00 0.00 H new ATOM 0 HA LYS A 44 6.851 5.856 -13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.094 7.225 -16.482 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.320 8.121 -15.607 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.970 5.282 -15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.679 5.743 -17.175 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.411 7.370 -17.173 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.379 7.552 -15.431 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.058 4.894 -15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.752 5.440 -17.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.296 5.809 -15.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.816 7.295 -15.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.144 6.766 -14.430 1.00 0.00 H new ATOM 161 N SER A 45 6.545 7.528 -12.151 1.00 0.00 N ATOM 162 CA SER A 45 6.556 8.605 -11.120 1.00 0.00 C ATOM 163 C SER A 45 7.933 9.283 -11.073 1.00 0.00 C ATOM 164 O SER A 45 8.281 9.932 -10.108 1.00 0.00 O ATOM 165 CB SER A 45 6.262 7.895 -9.799 1.00 0.00 C ATOM 166 OG SER A 45 4.863 7.931 -9.548 1.00 0.00 O ATOM 0 H SER A 45 6.772 6.595 -11.806 1.00 0.00 H new ATOM 0 HA SER A 45 5.826 9.386 -11.333 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.609 6.863 -9.843 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.802 8.379 -8.985 1.00 0.00 H new ATOM 0 HG SER A 45 4.516 7.016 -9.500 1.00 0.00 H new ATOM 172 N ASP A 46 8.710 9.139 -12.114 1.00 0.00 N ATOM 173 CA ASP A 46 10.063 9.780 -12.152 1.00 0.00 C ATOM 174 C ASP A 46 11.018 9.134 -11.138 1.00 0.00 C ATOM 175 O ASP A 46 12.079 8.662 -11.492 1.00 0.00 O ATOM 176 CB ASP A 46 9.822 11.250 -11.799 1.00 0.00 C ATOM 177 CG ASP A 46 8.595 11.762 -12.555 1.00 0.00 C ATOM 178 OD1 ASP A 46 8.168 11.087 -13.478 1.00 0.00 O ATOM 179 OD2 ASP A 46 8.103 12.820 -12.198 1.00 0.00 O ATOM 0 H ASP A 46 8.466 8.602 -12.946 1.00 0.00 H new ATOM 0 HA ASP A 46 10.531 9.661 -13.129 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.671 11.357 -10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.697 11.846 -12.059 1.00 0.00 H new ATOM 184 N GLU A 47 10.665 9.123 -9.882 1.00 0.00 N ATOM 185 CA GLU A 47 11.573 8.523 -8.858 1.00 0.00 C ATOM 186 C GLU A 47 11.214 7.065 -8.599 1.00 0.00 C ATOM 187 O GLU A 47 11.368 6.582 -7.503 1.00 0.00 O ATOM 188 CB GLU A 47 11.332 9.337 -7.591 1.00 0.00 C ATOM 189 CG GLU A 47 11.384 10.818 -7.933 1.00 0.00 C ATOM 190 CD GLU A 47 12.555 11.470 -7.196 1.00 0.00 C ATOM 191 OE1 GLU A 47 12.857 11.030 -6.100 1.00 0.00 O ATOM 192 OE2 GLU A 47 13.132 12.396 -7.743 1.00 0.00 O ATOM 0 H GLU A 47 9.790 9.502 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 47 12.612 8.545 -9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.363 9.084 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.086 9.098 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.499 10.950 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.448 11.301 -7.650 1.00 0.00 H new ATOM 199 N ILE A 48 10.727 6.364 -9.583 1.00 0.00 N ATOM 200 CA ILE A 48 10.343 4.955 -9.365 1.00 0.00 C ATOM 201 C ILE A 48 11.525 4.134 -8.916 1.00 0.00 C ATOM 202 O ILE A 48 11.677 3.818 -7.753 1.00 0.00 O ATOM 203 CB ILE A 48 9.813 4.422 -10.685 1.00 0.00 C ATOM 204 CG1 ILE A 48 10.175 5.262 -11.918 1.00 0.00 C ATOM 205 CG2 ILE A 48 8.323 4.353 -10.538 1.00 0.00 C ATOM 206 CD1 ILE A 48 9.014 6.191 -12.248 1.00 0.00 C ATOM 0 H ILE A 48 10.580 6.713 -10.530 1.00 0.00 H new ATOM 0 HA ILE A 48 9.587 4.891 -8.583 1.00 0.00 H new ATOM 0 HB ILE A 48 10.278 3.454 -10.871 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.078 5.842 -11.726 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.389 4.612 -12.766 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.883 3.975 -11.461 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.069 3.685 -9.715 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.931 5.349 -10.331 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.265 6.790 -13.123 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.123 5.599 -12.457 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.822 6.849 -11.400 1.00 0.00 H new ATOM 218 N ASP A 49 12.355 3.780 -9.831 1.00 0.00 N ATOM 219 CA ASP A 49 13.557 2.971 -9.469 1.00 0.00 C ATOM 220 C ASP A 49 14.075 3.445 -8.107 1.00 0.00 C ATOM 221 O ASP A 49 14.561 2.674 -7.303 1.00 0.00 O ATOM 222 CB ASP A 49 14.578 3.249 -10.571 1.00 0.00 C ATOM 223 CG ASP A 49 14.311 2.329 -11.764 1.00 0.00 C ATOM 224 OD1 ASP A 49 14.450 1.128 -11.604 1.00 0.00 O ATOM 225 OD2 ASP A 49 13.972 2.842 -12.818 1.00 0.00 O ATOM 0 H ASP A 49 12.266 4.009 -10.821 1.00 0.00 H new ATOM 0 HA ASP A 49 13.349 1.904 -9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.517 4.292 -10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.588 3.088 -10.194 1.00 0.00 H new ATOM 230 N ALA A 50 13.917 4.714 -7.835 1.00 0.00 N ATOM 231 CA ALA A 50 14.341 5.260 -6.520 1.00 0.00 C ATOM 232 C ALA A 50 13.317 4.878 -5.454 1.00 0.00 C ATOM 233 O ALA A 50 13.657 4.305 -4.439 1.00 0.00 O ATOM 234 CB ALA A 50 14.380 6.776 -6.711 1.00 0.00 C ATOM 0 H ALA A 50 13.509 5.397 -8.474 1.00 0.00 H new ATOM 0 HA ALA A 50 15.307 4.872 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.686 7.252 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.093 7.025 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.389 7.133 -6.993 1.00 0.00 H new ATOM 240 N ILE A 51 12.061 5.174 -5.671 1.00 0.00 N ATOM 241 CA ILE A 51 11.052 4.812 -4.676 1.00 0.00 C ATOM 242 C ILE A 51 10.821 3.307 -4.689 1.00 0.00 C ATOM 243 O ILE A 51 10.894 2.684 -3.675 1.00 0.00 O ATOM 244 CB ILE A 51 9.814 5.576 -5.083 1.00 0.00 C ATOM 245 CG1 ILE A 51 9.407 5.242 -6.508 1.00 0.00 C ATOM 246 CG2 ILE A 51 10.058 7.081 -4.939 1.00 0.00 C ATOM 247 CD1 ILE A 51 8.758 6.465 -7.175 1.00 0.00 C ATOM 0 H ILE A 51 11.707 5.651 -6.500 1.00 0.00 H new ATOM 0 HA ILE A 51 11.351 5.062 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 51 8.998 5.281 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.281 4.928 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.708 4.405 -6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.161 7.625 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.298 7.313 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.889 7.378 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.471 6.213 -8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.873 6.760 -6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.469 7.291 -7.192 1.00 0.00 H new ATOM 259 N ILE A 52 10.581 2.692 -5.811 1.00 0.00 N ATOM 260 CA ILE A 52 10.401 1.214 -5.772 1.00 0.00 C ATOM 261 C ILE A 52 11.561 0.613 -4.997 1.00 0.00 C ATOM 262 O ILE A 52 11.410 -0.287 -4.204 1.00 0.00 O ATOM 263 CB ILE A 52 10.459 0.758 -7.209 1.00 0.00 C ATOM 264 CG1 ILE A 52 9.313 1.395 -7.989 1.00 0.00 C ATOM 265 CG2 ILE A 52 10.325 -0.763 -7.240 1.00 0.00 C ATOM 266 CD1 ILE A 52 8.002 1.115 -7.256 1.00 0.00 C ATOM 0 H ILE A 52 10.503 3.131 -6.728 1.00 0.00 H new ATOM 0 HA ILE A 52 9.466 0.916 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 52 11.404 1.056 -7.663 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.471 2.469 -8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.274 0.990 -9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.365 -1.111 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.141 -1.212 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.373 -1.054 -6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.175 1.566 -7.805 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.847 0.038 -7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.047 1.541 -6.254 1.00 0.00 H new ATOM 278 N GLU A 53 12.729 1.116 -5.216 1.00 0.00 N ATOM 279 CA GLU A 53 13.891 0.575 -4.485 1.00 0.00 C ATOM 280 C GLU A 53 13.734 0.805 -2.978 1.00 0.00 C ATOM 281 O GLU A 53 13.746 -0.126 -2.198 1.00 0.00 O ATOM 282 CB GLU A 53 15.085 1.347 -5.032 1.00 0.00 C ATOM 283 CG GLU A 53 16.350 0.945 -4.269 1.00 0.00 C ATOM 284 CD GLU A 53 17.396 2.052 -4.398 1.00 0.00 C ATOM 285 OE1 GLU A 53 17.727 2.400 -5.520 1.00 0.00 O ATOM 286 OE2 GLU A 53 17.848 2.536 -3.373 1.00 0.00 O ATOM 0 H GLU A 53 12.931 1.875 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 53 14.003 -0.501 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.208 1.140 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.914 2.419 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.115 0.773 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.745 0.009 -4.665 1.00 0.00 H new ATOM 293 N ASP A 54 13.583 2.036 -2.564 1.00 0.00 N ATOM 294 CA ASP A 54 13.451 2.323 -1.097 1.00 0.00 C ATOM 295 C ASP A 54 12.025 2.093 -0.609 1.00 0.00 C ATOM 296 O ASP A 54 11.759 2.039 0.576 1.00 0.00 O ATOM 297 CB ASP A 54 13.808 3.796 -0.966 1.00 0.00 C ATOM 298 CG ASP A 54 13.495 4.281 0.451 1.00 0.00 C ATOM 299 OD1 ASP A 54 14.319 4.065 1.324 1.00 0.00 O ATOM 300 OD2 ASP A 54 12.436 4.856 0.638 1.00 0.00 O ATOM 0 H ASP A 54 13.545 2.854 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 54 14.089 1.670 -0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.865 3.944 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.246 4.382 -1.693 1.00 0.00 H new ATOM 305 N ILE A 55 11.113 1.985 -1.514 1.00 0.00 N ATOM 306 CA ILE A 55 9.691 1.788 -1.136 1.00 0.00 C ATOM 307 C ILE A 55 9.256 0.349 -1.400 1.00 0.00 C ATOM 308 O ILE A 55 8.395 -0.189 -0.730 1.00 0.00 O ATOM 309 CB ILE A 55 8.931 2.772 -2.033 1.00 0.00 C ATOM 310 CG1 ILE A 55 7.720 3.313 -1.294 1.00 0.00 C ATOM 311 CG2 ILE A 55 8.450 2.071 -3.291 1.00 0.00 C ATOM 312 CD1 ILE A 55 8.176 4.144 -0.093 1.00 0.00 C ATOM 0 H ILE A 55 11.289 2.025 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 55 9.506 1.964 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 55 9.605 3.586 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.117 3.926 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.088 2.490 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.912 2.780 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.307 1.678 -3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.786 1.251 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.304 4.530 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.760 3.518 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.789 4.976 -0.438 1.00 0.00 H new ATOM 324 N VAL A 56 9.812 -0.254 -2.405 1.00 0.00 N ATOM 325 CA VAL A 56 9.399 -1.631 -2.758 1.00 0.00 C ATOM 326 C VAL A 56 10.541 -2.648 -2.600 1.00 0.00 C ATOM 327 O VAL A 56 10.334 -3.729 -2.087 1.00 0.00 O ATOM 328 CB VAL A 56 8.939 -1.502 -4.206 1.00 0.00 C ATOM 329 CG1 VAL A 56 8.929 -2.868 -4.869 1.00 0.00 C ATOM 330 CG2 VAL A 56 7.530 -0.908 -4.216 1.00 0.00 C ATOM 0 H VAL A 56 10.537 0.149 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 56 8.619 -2.013 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 56 9.620 -0.854 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.599 -2.768 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.934 -3.290 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.247 -3.528 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.184 -0.808 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.854 -1.565 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.545 0.073 -3.742 1.00 0.00 H new ATOM 340 N LEU A 57 11.743 -2.341 -3.026 1.00 0.00 N ATOM 341 CA LEU A 57 12.835 -3.349 -2.861 1.00 0.00 C ATOM 342 C LEU A 57 13.080 -3.579 -1.370 1.00 0.00 C ATOM 343 O LEU A 57 13.265 -4.691 -0.918 1.00 0.00 O ATOM 344 CB LEU A 57 14.072 -2.751 -3.539 1.00 0.00 C ATOM 345 CG LEU A 57 15.343 -3.358 -2.937 1.00 0.00 C ATOM 346 CD1 LEU A 57 16.464 -3.329 -3.974 1.00 0.00 C ATOM 347 CD2 LEU A 57 15.764 -2.542 -1.712 1.00 0.00 C ATOM 0 H LEU A 57 12.010 -1.462 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 57 12.585 -4.312 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.039 -2.945 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.080 -1.669 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 57 15.148 -4.389 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.368 -3.761 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.166 -3.907 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.660 -2.298 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.668 -2.972 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.958 -1.512 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.965 -2.560 -0.971 1.00 0.00 H new ATOM 359 N LYS A 58 13.067 -2.526 -0.606 1.00 0.00 N ATOM 360 CA LYS A 58 13.281 -2.655 0.860 1.00 0.00 C ATOM 361 C LYS A 58 11.949 -2.958 1.545 1.00 0.00 C ATOM 362 O LYS A 58 11.865 -3.774 2.442 1.00 0.00 O ATOM 363 CB LYS A 58 13.800 -1.288 1.298 1.00 0.00 C ATOM 364 CG LYS A 58 15.157 -1.446 1.985 1.00 0.00 C ATOM 365 CD LYS A 58 14.963 -2.109 3.350 1.00 0.00 C ATOM 366 CE LYS A 58 15.356 -3.584 3.262 1.00 0.00 C ATOM 367 NZ LYS A 58 16.297 -3.795 4.396 1.00 0.00 N ATOM 0 H LYS A 58 12.916 -1.573 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 58 13.972 -3.458 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.894 -0.630 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.089 -0.820 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.822 -2.049 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.631 -0.472 2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.571 -1.604 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.924 -2.017 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.483 -4.232 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.830 -3.811 2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.613 -4.786 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.120 -3.170 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.815 -3.577 5.292 1.00 0.00 H new ATOM 381 N GLY A 59 10.908 -2.296 1.126 1.00 0.00 N ATOM 382 CA GLY A 59 9.571 -2.525 1.743 1.00 0.00 C ATOM 383 C GLY A 59 8.882 -3.720 1.077 1.00 0.00 C ATOM 384 O GLY A 59 8.439 -4.637 1.739 1.00 0.00 O ATOM 0 H GLY A 59 10.925 -1.602 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.682 -2.708 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.954 -1.633 1.635 1.00 0.00 H new ATOM 388 N GLY A 60 8.773 -3.717 -0.226 1.00 0.00 N ATOM 389 CA GLY A 60 8.097 -4.852 -0.916 1.00 0.00 C ATOM 390 C GLY A 60 8.957 -6.116 -0.830 1.00 0.00 C ATOM 391 O GLY A 60 8.636 -7.042 -0.114 1.00 0.00 O ATOM 0 H GLY A 60 9.122 -2.980 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.124 -5.035 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.918 -4.597 -1.960 1.00 0.00 H new ATOM 395 N LYS A 61 10.045 -6.157 -1.559 1.00 0.00 N ATOM 396 CA LYS A 61 10.949 -7.360 -1.560 1.00 0.00 C ATOM 397 C LYS A 61 11.242 -7.910 -0.151 1.00 0.00 C ATOM 398 O LYS A 61 11.829 -8.964 -0.013 1.00 0.00 O ATOM 399 CB LYS A 61 12.243 -6.868 -2.207 1.00 0.00 C ATOM 400 CG LYS A 61 12.581 -7.751 -3.410 1.00 0.00 C ATOM 401 CD LYS A 61 14.011 -7.468 -3.872 1.00 0.00 C ATOM 402 CE LYS A 61 14.844 -8.751 -3.763 1.00 0.00 C ATOM 403 NZ LYS A 61 15.688 -8.791 -4.996 1.00 0.00 N ATOM 0 H LYS A 61 10.354 -5.397 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 61 10.477 -8.186 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.132 -5.831 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.057 -6.895 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.477 -8.802 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.881 -7.558 -4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.008 -7.109 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.453 -6.681 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.462 -8.741 -2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.203 -9.630 -3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.282 -9.645 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.075 -8.808 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.296 -7.948 -5.028 1.00 0.00 H new ATOM 417 N ALA A 62 10.852 -7.232 0.890 1.00 0.00 N ATOM 418 CA ALA A 62 11.127 -7.751 2.251 1.00 0.00 C ATOM 419 C ALA A 62 10.674 -9.203 2.315 1.00 0.00 C ATOM 420 O ALA A 62 11.464 -10.120 2.429 1.00 0.00 O ATOM 421 CB ALA A 62 10.295 -6.879 3.190 1.00 0.00 C ATOM 0 H ALA A 62 10.355 -6.342 0.855 1.00 0.00 H new ATOM 0 HA ALA A 62 12.183 -7.717 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.447 -7.204 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.603 -5.838 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.240 -6.971 2.933 1.00 0.00 H new ATOM 427 N LYS A 63 9.401 -9.406 2.189 1.00 0.00 N ATOM 428 CA LYS A 63 8.849 -10.788 2.181 1.00 0.00 C ATOM 429 C LYS A 63 8.851 -11.267 0.736 1.00 0.00 C ATOM 430 O LYS A 63 8.926 -12.441 0.434 1.00 0.00 O ATOM 431 CB LYS A 63 7.420 -10.640 2.690 1.00 0.00 C ATOM 432 CG LYS A 63 6.563 -9.946 1.628 1.00 0.00 C ATOM 433 CD LYS A 63 5.306 -9.375 2.281 1.00 0.00 C ATOM 434 CE LYS A 63 5.569 -7.929 2.708 1.00 0.00 C ATOM 435 NZ LYS A 63 4.316 -7.492 3.388 1.00 0.00 N ATOM 0 H LYS A 63 8.706 -8.666 2.090 1.00 0.00 H new ATOM 0 HA LYS A 63 9.412 -11.496 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.004 -11.620 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.411 -10.061 3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.132 -9.148 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.290 -10.654 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.470 -9.414 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.027 -9.976 3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.425 -7.866 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.792 -7.298 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.420 -6.508 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.519 -7.556 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.133 -8.106 4.207 1.00 0.00 H new ATOM 449 N ASN A 64 8.768 -10.320 -0.147 1.00 0.00 N ATOM 450 CA ASN A 64 8.759 -10.606 -1.605 1.00 0.00 C ATOM 451 C ASN A 64 10.121 -11.153 -2.048 1.00 0.00 C ATOM 452 O ASN A 64 11.113 -10.451 -2.024 1.00 0.00 O ATOM 453 CB ASN A 64 8.510 -9.231 -2.225 1.00 0.00 C ATOM 454 CG ASN A 64 7.045 -9.104 -2.647 1.00 0.00 C ATOM 455 OD1 ASN A 64 6.383 -10.093 -2.894 1.00 0.00 O ATOM 456 ND2 ASN A 64 6.506 -7.919 -2.737 1.00 0.00 N ATOM 0 H ASN A 64 8.704 -9.329 0.087 1.00 0.00 H new ATOM 0 HA ASN A 64 8.018 -11.351 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.759 -8.449 -1.508 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.159 -9.090 -3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.529 -7.823 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.061 -7.089 -2.530 1.00 0.00 H new ATOM 463 N PRO A 65 10.114 -12.399 -2.433 1.00 0.00 N ATOM 464 CA PRO A 65 11.350 -13.086 -2.885 1.00 0.00 C ATOM 465 C PRO A 65 11.901 -12.456 -4.169 1.00 0.00 C ATOM 466 O PRO A 65 13.093 -12.264 -4.309 1.00 0.00 O ATOM 467 CB PRO A 65 10.865 -14.511 -3.140 1.00 0.00 C ATOM 468 CG PRO A 65 9.415 -14.364 -3.411 1.00 0.00 C ATOM 469 CD PRO A 65 8.961 -13.298 -2.486 1.00 0.00 C ATOM 0 HA PRO A 65 12.165 -13.025 -2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.384 -14.962 -3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.045 -15.152 -2.277 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.233 -14.090 -4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.882 -15.298 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 65 8.071 -12.792 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.713 -13.696 -1.502 1.00 0.00 H new ATOM 477 N SER A 66 11.051 -12.121 -5.104 1.00 0.00 N ATOM 478 CA SER A 66 11.544 -11.498 -6.358 1.00 0.00 C ATOM 479 C SER A 66 10.398 -10.855 -7.092 1.00 0.00 C ATOM 480 O SER A 66 9.534 -11.487 -7.666 1.00 0.00 O ATOM 481 CB SER A 66 12.181 -12.617 -7.179 1.00 0.00 C ATOM 482 OG SER A 66 13.041 -13.382 -6.347 1.00 0.00 O ATOM 0 H SER A 66 10.041 -12.253 -5.050 1.00 0.00 H new ATOM 0 HA SER A 66 12.275 -10.714 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.407 -13.255 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.743 -12.196 -8.013 1.00 0.00 H new ATOM 0 HG SER A 66 13.533 -12.784 -5.747 1.00 0.00 H new ATOM 488 N ILE A 67 10.390 -9.579 -7.000 1.00 0.00 N ATOM 489 CA ILE A 67 9.336 -8.762 -7.585 1.00 0.00 C ATOM 490 C ILE A 67 9.843 -8.046 -8.836 1.00 0.00 C ATOM 491 O ILE A 67 10.932 -7.510 -8.856 1.00 0.00 O ATOM 492 CB ILE A 67 9.070 -7.796 -6.443 1.00 0.00 C ATOM 493 CG1 ILE A 67 8.124 -8.455 -5.429 1.00 0.00 C ATOM 494 CG2 ILE A 67 8.452 -6.498 -6.970 1.00 0.00 C ATOM 495 CD1 ILE A 67 8.568 -9.904 -5.186 1.00 0.00 C ATOM 0 H ILE A 67 11.111 -9.044 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 67 8.453 -9.307 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 67 10.014 -7.553 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.132 -7.898 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.100 -8.434 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.268 -5.818 -6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.137 -6.030 -7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.510 -6.721 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.898 -10.374 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.537 -10.456 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.585 -9.912 -4.794 1.00 0.00 H new ATOM 507 N VAL A 68 9.063 -8.026 -9.878 1.00 0.00 N ATOM 508 CA VAL A 68 9.526 -7.327 -11.118 1.00 0.00 C ATOM 509 C VAL A 68 9.155 -5.851 -11.061 1.00 0.00 C ATOM 510 O VAL A 68 8.041 -5.492 -10.740 1.00 0.00 O ATOM 511 CB VAL A 68 8.818 -8.002 -12.298 1.00 0.00 C ATOM 512 CG1 VAL A 68 8.784 -7.045 -13.499 1.00 0.00 C ATOM 513 CG2 VAL A 68 9.579 -9.260 -12.700 1.00 0.00 C ATOM 0 H VAL A 68 8.139 -8.454 -9.931 1.00 0.00 H new ATOM 0 HA VAL A 68 10.609 -7.393 -11.220 1.00 0.00 H new ATOM 0 HB VAL A 68 7.802 -8.260 -12.000 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.280 -7.529 -14.336 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.245 -6.138 -13.226 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.803 -6.788 -13.789 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.074 -9.738 -13.539 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.595 -8.993 -12.992 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.614 -9.950 -11.857 1.00 0.00 H new ATOM 523 N VAL A 69 10.072 -4.995 -11.405 1.00 0.00 N ATOM 524 CA VAL A 69 9.760 -3.547 -11.411 1.00 0.00 C ATOM 525 C VAL A 69 9.899 -3.026 -12.840 1.00 0.00 C ATOM 526 O VAL A 69 10.974 -2.686 -13.292 1.00 0.00 O ATOM 527 CB VAL A 69 10.775 -2.890 -10.476 1.00 0.00 C ATOM 528 CG1 VAL A 69 10.582 -1.373 -10.505 1.00 0.00 C ATOM 529 CG2 VAL A 69 10.558 -3.398 -9.049 1.00 0.00 C ATOM 0 H VAL A 69 11.023 -5.238 -11.682 1.00 0.00 H new ATOM 0 HA VAL A 69 8.746 -3.330 -11.075 1.00 0.00 H new ATOM 0 HB VAL A 69 11.785 -3.139 -10.803 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.305 -0.901 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.732 -1.007 -11.521 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.572 -1.128 -10.176 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.282 -2.930 -8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.549 -3.147 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.689 -4.480 -9.024 1.00 0.00 H new ATOM 539 N GLU A 70 8.814 -2.988 -13.556 1.00 0.00 N ATOM 540 CA GLU A 70 8.853 -2.518 -14.969 1.00 0.00 C ATOM 541 C GLU A 70 8.699 -0.997 -15.040 1.00 0.00 C ATOM 542 O GLU A 70 7.654 -0.455 -14.736 1.00 0.00 O ATOM 543 CB GLU A 70 7.658 -3.195 -15.654 1.00 0.00 C ATOM 544 CG GLU A 70 7.528 -4.648 -15.215 1.00 0.00 C ATOM 545 CD GLU A 70 8.696 -5.454 -15.784 1.00 0.00 C ATOM 546 OE1 GLU A 70 9.810 -5.245 -15.332 1.00 0.00 O ATOM 547 OE2 GLU A 70 8.458 -6.268 -16.661 1.00 0.00 O ATOM 0 H GLU A 70 7.891 -3.265 -13.221 1.00 0.00 H new ATOM 0 HA GLU A 70 9.801 -2.766 -15.446 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.742 -2.655 -15.413 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.780 -3.148 -16.736 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.523 -4.712 -14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.582 -5.062 -15.563 1.00 0.00 H new ATOM 554 N ASP A 71 9.722 -0.306 -15.458 1.00 0.00 N ATOM 555 CA ASP A 71 9.626 1.177 -15.570 1.00 0.00 C ATOM 556 C ASP A 71 9.969 1.600 -17.001 1.00 0.00 C ATOM 557 O ASP A 71 11.089 1.456 -17.451 1.00 0.00 O ATOM 558 CB ASP A 71 10.649 1.729 -14.572 1.00 0.00 C ATOM 559 CG ASP A 71 12.066 1.485 -15.092 1.00 0.00 C ATOM 560 OD1 ASP A 71 12.381 0.342 -15.381 1.00 0.00 O ATOM 561 OD2 ASP A 71 12.812 2.445 -15.195 1.00 0.00 O ATOM 0 H ASP A 71 10.622 -0.704 -15.727 1.00 0.00 H new ATOM 0 HA ASP A 71 8.626 1.552 -15.352 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.486 2.796 -14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.520 1.248 -13.602 1.00 0.00 H new ATOM 566 N LYS A 72 9.013 2.103 -17.734 1.00 0.00 N ATOM 567 CA LYS A 72 9.307 2.505 -19.142 1.00 0.00 C ATOM 568 C LYS A 72 8.371 3.623 -19.609 1.00 0.00 C ATOM 569 O LYS A 72 7.239 3.722 -19.179 1.00 0.00 O ATOM 570 CB LYS A 72 9.066 1.239 -19.965 1.00 0.00 C ATOM 571 CG LYS A 72 10.173 1.087 -21.008 1.00 0.00 C ATOM 572 CD LYS A 72 10.065 -0.290 -21.667 1.00 0.00 C ATOM 573 CE LYS A 72 11.464 -0.804 -22.011 1.00 0.00 C ATOM 574 NZ LYS A 72 11.398 -2.273 -21.785 1.00 0.00 N ATOM 0 H LYS A 72 8.052 2.252 -17.425 1.00 0.00 H new ATOM 0 HA LYS A 72 10.321 2.890 -19.247 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.046 0.367 -19.312 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.094 1.292 -20.456 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.088 1.870 -21.761 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.149 1.202 -20.537 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.565 -0.988 -20.995 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.458 -0.226 -22.570 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.726 -0.575 -23.044 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.222 -0.341 -21.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.322 -2.699 -22.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.153 -2.461 -20.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.673 -2.687 -22.405 1.00 0.00 H new ATOM 588 N ALA A 73 8.845 4.454 -20.503 1.00 0.00 N ATOM 589 CA ALA A 73 8.006 5.570 -21.035 1.00 0.00 C ATOM 590 C ALA A 73 7.089 6.137 -19.945 1.00 0.00 C ATOM 591 O ALA A 73 7.521 6.884 -19.089 1.00 0.00 O ATOM 592 CB ALA A 73 7.190 4.943 -22.167 1.00 0.00 C ATOM 0 H ALA A 73 9.787 4.406 -20.891 1.00 0.00 H new ATOM 0 HA ALA A 73 8.612 6.407 -21.383 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.545 5.700 -22.613 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.865 4.549 -22.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.578 4.133 -21.769 1.00 0.00 H new ATOM 598 N GLY A 74 5.826 5.796 -19.965 1.00 0.00 N ATOM 599 CA GLY A 74 4.900 6.325 -18.927 1.00 0.00 C ATOM 600 C GLY A 74 4.132 5.176 -18.298 1.00 0.00 C ATOM 601 O GLY A 74 2.968 5.286 -17.969 1.00 0.00 O ATOM 0 H GLY A 74 5.400 5.176 -20.654 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.462 6.862 -18.163 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.207 7.038 -19.373 1.00 0.00 H new ATOM 605 N PHE A 75 4.791 4.081 -18.121 1.00 0.00 N ATOM 606 CA PHE A 75 4.133 2.897 -17.502 1.00 0.00 C ATOM 607 C PHE A 75 5.000 2.357 -16.362 1.00 0.00 C ATOM 608 O PHE A 75 6.001 1.704 -16.576 1.00 0.00 O ATOM 609 CB PHE A 75 4.006 1.865 -18.626 1.00 0.00 C ATOM 610 CG PHE A 75 2.545 1.561 -18.880 1.00 0.00 C ATOM 611 CD1 PHE A 75 1.584 2.570 -18.745 1.00 0.00 C ATOM 612 CD2 PHE A 75 2.155 0.269 -19.254 1.00 0.00 C ATOM 613 CE1 PHE A 75 0.232 2.286 -18.983 1.00 0.00 C ATOM 614 CE2 PHE A 75 0.804 -0.014 -19.492 1.00 0.00 C ATOM 615 CZ PHE A 75 -0.158 0.995 -19.356 1.00 0.00 C ATOM 0 H PHE A 75 5.769 3.945 -18.379 1.00 0.00 H new ATOM 0 HA PHE A 75 3.160 3.141 -17.076 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.471 2.245 -19.535 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.535 0.951 -18.355 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.884 3.567 -18.458 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.896 -0.509 -19.359 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.509 3.064 -18.878 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.504 -1.011 -19.780 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.200 0.777 -19.539 1.00 0.00 H new ATOM 625 N TRP A 76 4.614 2.640 -15.155 1.00 0.00 N ATOM 626 CA TRP A 76 5.386 2.173 -13.969 1.00 0.00 C ATOM 627 C TRP A 76 4.750 0.881 -13.428 1.00 0.00 C ATOM 628 O TRP A 76 3.967 0.904 -12.500 1.00 0.00 O ATOM 629 CB TRP A 76 5.231 3.346 -12.994 1.00 0.00 C ATOM 630 CG TRP A 76 5.766 3.022 -11.651 1.00 0.00 C ATOM 631 CD1 TRP A 76 6.707 2.104 -11.380 1.00 0.00 C ATOM 632 CD2 TRP A 76 5.408 3.637 -10.388 1.00 0.00 C ATOM 633 NE1 TRP A 76 6.958 2.115 -10.030 1.00 0.00 N ATOM 634 CE2 TRP A 76 6.158 3.033 -9.364 1.00 0.00 C ATOM 635 CE3 TRP A 76 4.506 4.650 -10.044 1.00 0.00 C ATOM 636 CZ2 TRP A 76 6.016 3.421 -8.029 1.00 0.00 C ATOM 637 CZ3 TRP A 76 4.355 5.047 -8.708 1.00 0.00 C ATOM 638 CH2 TRP A 76 5.107 4.430 -7.698 1.00 0.00 C ATOM 0 H TRP A 76 3.781 3.185 -14.932 1.00 0.00 H new ATOM 0 HA TRP A 76 6.431 1.932 -14.163 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.750 4.219 -13.391 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.177 3.612 -12.911 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.187 1.463 -12.104 1.00 0.00 H new ATOM 0 HE1 TRP A 76 7.649 1.520 -9.572 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.921 5.130 -10.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.604 2.945 -7.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 3.657 5.831 -8.456 1.00 0.00 H new ATOM 0 HH2 TRP A 76 4.984 4.733 -6.669 1.00 0.00 H new ATOM 649 N TRP A 77 5.054 -0.241 -14.036 1.00 0.00 N ATOM 650 CA TRP A 77 4.435 -1.536 -13.598 1.00 0.00 C ATOM 651 C TRP A 77 5.395 -2.402 -12.782 1.00 0.00 C ATOM 652 O TRP A 77 6.500 -2.659 -13.191 1.00 0.00 O ATOM 653 CB TRP A 77 4.113 -2.272 -14.902 1.00 0.00 C ATOM 654 CG TRP A 77 2.920 -1.654 -15.557 1.00 0.00 C ATOM 655 CD1 TRP A 77 2.664 -0.327 -15.610 1.00 0.00 C ATOM 656 CD2 TRP A 77 1.821 -2.311 -16.252 1.00 0.00 C ATOM 657 NE1 TRP A 77 1.477 -0.130 -16.290 1.00 0.00 N ATOM 658 CE2 TRP A 77 0.920 -1.321 -16.706 1.00 0.00 C ATOM 659 CE3 TRP A 77 1.521 -3.658 -16.528 1.00 0.00 C ATOM 660 CZ2 TRP A 77 -0.238 -1.653 -17.411 1.00 0.00 C ATOM 661 CZ3 TRP A 77 0.356 -3.996 -17.237 1.00 0.00 C ATOM 662 CH2 TRP A 77 -0.522 -2.994 -17.676 1.00 0.00 C ATOM 0 H TRP A 77 5.705 -0.317 -14.818 1.00 0.00 H new ATOM 0 HA TRP A 77 3.570 -1.344 -12.963 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.970 -2.230 -15.574 1.00 0.00 H new ATOM 0 HB3 TRP A 77 3.921 -3.325 -14.697 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.285 0.451 -15.190 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.063 0.786 -16.463 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.190 -4.437 -16.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.910 -0.878 -17.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.135 -5.033 -17.445 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -1.417 -3.260 -18.219 1.00 0.00 H new ATOM 673 N ILE A 78 4.959 -2.901 -11.655 1.00 0.00 N ATOM 674 CA ILE A 78 5.836 -3.798 -10.856 1.00 0.00 C ATOM 675 C ILE A 78 5.087 -5.079 -10.531 1.00 0.00 C ATOM 676 O ILE A 78 3.968 -5.056 -10.066 1.00 0.00 O ATOM 677 CB ILE A 78 6.178 -3.027 -9.589 1.00 0.00 C ATOM 678 CG1 ILE A 78 7.300 -2.051 -9.906 1.00 0.00 C ATOM 679 CG2 ILE A 78 6.639 -3.998 -8.499 1.00 0.00 C ATOM 680 CD1 ILE A 78 6.904 -0.662 -9.446 1.00 0.00 C ATOM 0 H ILE A 78 4.037 -2.725 -11.257 1.00 0.00 H new ATOM 0 HA ILE A 78 6.742 -4.079 -11.393 1.00 0.00 H new ATOM 0 HB ILE A 78 5.299 -2.489 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.219 -2.362 -9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.502 -2.048 -10.977 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.882 -3.441 -7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.841 -4.709 -8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.522 -4.537 -8.842 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.707 0.039 -9.672 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.996 -0.353 -9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.724 -0.672 -8.371 1.00 0.00 H new ATOM 692 N LYS A 79 5.695 -6.195 -10.778 1.00 0.00 N ATOM 693 CA LYS A 79 5.015 -7.482 -10.494 1.00 0.00 C ATOM 694 C LYS A 79 5.477 -8.023 -9.146 1.00 0.00 C ATOM 695 O LYS A 79 6.650 -8.006 -8.827 1.00 0.00 O ATOM 696 CB LYS A 79 5.440 -8.432 -11.614 1.00 0.00 C ATOM 697 CG LYS A 79 5.720 -7.655 -12.904 1.00 0.00 C ATOM 698 CD LYS A 79 5.893 -8.636 -14.068 1.00 0.00 C ATOM 699 CE LYS A 79 4.568 -8.779 -14.819 1.00 0.00 C ATOM 700 NZ LYS A 79 4.951 -8.938 -16.250 1.00 0.00 N ATOM 0 H LYS A 79 6.635 -6.275 -11.165 1.00 0.00 H new ATOM 0 HA LYS A 79 3.932 -7.369 -10.453 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.332 -8.981 -11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.656 -9.169 -11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.899 -6.969 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.619 -7.050 -12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.670 -8.280 -14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.217 -9.607 -13.694 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.004 -9.641 -14.463 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.936 -7.903 -14.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.094 -9.042 -16.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.481 -8.099 -16.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.546 -9.784 -16.358 1.00 0.00 H new ATOM 714 N ALA A 80 4.569 -8.507 -8.355 1.00 0.00 N ATOM 715 CA ALA A 80 4.964 -9.054 -7.033 1.00 0.00 C ATOM 716 C ALA A 80 4.155 -10.318 -6.726 1.00 0.00 C ATOM 717 O ALA A 80 2.977 -10.400 -7.019 1.00 0.00 O ATOM 718 CB ALA A 80 4.642 -7.947 -6.029 1.00 0.00 C ATOM 0 H ALA A 80 3.572 -8.548 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 80 6.017 -9.334 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.907 -8.278 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.212 -7.052 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.576 -7.720 -6.066 1.00 0.00 H new ATOM 724 N ASP A 81 4.776 -11.306 -6.143 1.00 0.00 N ATOM 725 CA ASP A 81 4.038 -12.561 -5.826 1.00 0.00 C ATOM 726 C ASP A 81 3.502 -12.514 -4.396 1.00 0.00 C ATOM 727 O ASP A 81 3.682 -13.431 -3.619 1.00 0.00 O ATOM 728 CB ASP A 81 5.069 -13.678 -5.978 1.00 0.00 C ATOM 729 CG ASP A 81 6.051 -13.627 -4.807 1.00 0.00 C ATOM 730 OD1 ASP A 81 6.337 -12.534 -4.347 1.00 0.00 O ATOM 731 OD2 ASP A 81 6.500 -14.681 -4.388 1.00 0.00 O ATOM 0 H ASP A 81 5.760 -11.299 -5.873 1.00 0.00 H new ATOM 0 HA ASP A 81 3.179 -12.710 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.570 -14.647 -6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.605 -13.568 -6.921 1.00 0.00 H new ATOM 736 N GLY A 82 2.839 -11.451 -4.050 1.00 0.00 N ATOM 737 CA GLY A 82 2.283 -11.323 -2.690 1.00 0.00 C ATOM 738 C GLY A 82 1.368 -10.099 -2.631 1.00 0.00 C ATOM 739 O GLY A 82 1.019 -9.527 -3.644 1.00 0.00 O ATOM 0 H GLY A 82 2.659 -10.657 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.725 -12.222 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.089 -11.224 -1.963 1.00 0.00 H new ATOM 743 N ALA A 83 0.979 -9.688 -1.456 1.00 0.00 N ATOM 744 CA ALA A 83 0.091 -8.497 -1.345 1.00 0.00 C ATOM 745 C ALA A 83 0.869 -7.225 -1.695 1.00 0.00 C ATOM 746 O ALA A 83 1.944 -6.983 -1.183 1.00 0.00 O ATOM 747 CB ALA A 83 -0.353 -8.468 0.118 1.00 0.00 C ATOM 0 H ALA A 83 1.237 -10.124 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.758 -8.549 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.013 -7.616 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.885 -9.389 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.522 -8.378 0.762 1.00 0.00 H new ATOM 753 N ILE A 84 0.338 -6.412 -2.568 1.00 0.00 N ATOM 754 CA ILE A 84 1.053 -5.160 -2.949 1.00 0.00 C ATOM 755 C ILE A 84 0.195 -3.933 -2.633 1.00 0.00 C ATOM 756 O ILE A 84 -0.931 -3.820 -3.077 1.00 0.00 O ATOM 757 CB ILE A 84 1.289 -5.279 -4.453 1.00 0.00 C ATOM 758 CG1 ILE A 84 2.127 -4.095 -4.916 1.00 0.00 C ATOM 759 CG2 ILE A 84 -0.047 -5.283 -5.197 1.00 0.00 C ATOM 760 CD1 ILE A 84 3.540 -4.269 -4.373 1.00 0.00 C ATOM 0 H ILE A 84 -0.558 -6.560 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 84 1.986 -5.038 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 84 1.812 -6.212 -4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.142 -4.043 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.695 -3.161 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.134 -5.368 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.648 -6.129 -4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.581 -4.355 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.159 -3.431 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.510 -4.303 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.964 -5.199 -4.753 1.00 0.00 H new ATOM 772 N GLU A 85 0.713 -3.019 -1.858 1.00 0.00 N ATOM 773 CA GLU A 85 -0.064 -1.818 -1.501 1.00 0.00 C ATOM 774 C GLU A 85 0.109 -0.713 -2.548 1.00 0.00 C ATOM 775 O GLU A 85 1.037 -0.727 -3.333 1.00 0.00 O ATOM 776 CB GLU A 85 0.487 -1.378 -0.143 1.00 0.00 C ATOM 777 CG GLU A 85 0.036 -2.370 0.933 1.00 0.00 C ATOM 778 CD GLU A 85 -0.674 -1.619 2.060 1.00 0.00 C ATOM 779 OE1 GLU A 85 -1.727 -1.059 1.801 1.00 0.00 O ATOM 780 OE2 GLU A 85 -0.155 -1.617 3.164 1.00 0.00 O ATOM 0 H GLU A 85 1.650 -3.062 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.133 -2.026 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.575 -1.331 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.132 -0.376 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.634 -3.113 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.897 -2.909 1.328 1.00 0.00 H new ATOM 787 N ILE A 86 -0.781 0.246 -2.566 1.00 0.00 N ATOM 788 CA ILE A 86 -0.680 1.346 -3.547 1.00 0.00 C ATOM 789 C ILE A 86 -1.523 2.554 -3.099 1.00 0.00 C ATOM 790 O ILE A 86 -2.537 2.405 -2.447 1.00 0.00 O ATOM 791 CB ILE A 86 -1.166 0.735 -4.858 1.00 0.00 C ATOM 792 CG1 ILE A 86 -0.419 1.375 -6.006 1.00 0.00 C ATOM 793 CG2 ILE A 86 -2.648 0.982 -5.027 1.00 0.00 C ATOM 794 CD1 ILE A 86 -0.911 2.797 -6.129 1.00 0.00 C ATOM 0 H ILE A 86 -1.578 0.307 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 86 0.332 1.736 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.984 -0.340 -4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.655 1.355 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.595 0.827 -6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.985 0.542 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.190 0.527 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.839 2.055 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.392 3.292 -6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.983 2.795 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.713 3.332 -5.200 1.00 0.00 H new ATOM 806 N ASP A 87 -1.108 3.750 -3.442 1.00 0.00 N ATOM 807 CA ASP A 87 -1.890 4.958 -3.032 1.00 0.00 C ATOM 808 C ASP A 87 -1.697 6.103 -4.016 1.00 0.00 C ATOM 809 O ASP A 87 -0.838 6.069 -4.876 1.00 0.00 O ATOM 810 CB ASP A 87 -1.302 5.393 -1.696 1.00 0.00 C ATOM 811 CG ASP A 87 -1.032 4.173 -0.816 1.00 0.00 C ATOM 812 OD1 ASP A 87 0.043 3.609 -0.933 1.00 0.00 O ATOM 813 OD2 ASP A 87 -1.902 3.826 -0.038 1.00 0.00 O ATOM 0 H ASP A 87 -0.266 3.941 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.953 4.721 -2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.376 5.944 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.991 6.070 -1.190 1.00 0.00 H new ATOM 818 N ALA A 88 -2.466 7.143 -3.861 1.00 0.00 N ATOM 819 CA ALA A 88 -2.303 8.321 -4.747 1.00 0.00 C ATOM 820 C ALA A 88 -2.726 9.594 -4.014 1.00 0.00 C ATOM 821 O ALA A 88 -2.133 10.642 -4.178 1.00 0.00 O ATOM 822 CB ALA A 88 -3.206 8.081 -5.960 1.00 0.00 C ATOM 0 H ALA A 88 -3.200 7.226 -3.158 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.264 8.447 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.123 8.923 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.898 7.167 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.240 7.982 -5.630 1.00 0.00 H new ATOM 828 N ALA A 89 -3.755 9.507 -3.213 1.00 0.00 N ATOM 829 CA ALA A 89 -4.244 10.704 -2.472 1.00 0.00 C ATOM 830 C ALA A 89 -3.067 11.538 -1.978 1.00 0.00 C ATOM 831 O ALA A 89 -3.035 12.743 -2.133 1.00 0.00 O ATOM 832 CB ALA A 89 -5.028 10.139 -1.289 1.00 0.00 C ATOM 0 H ALA A 89 -4.281 8.650 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.854 11.355 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.424 10.959 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.852 9.528 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.368 9.526 -0.675 1.00 0.00 H new ATOM 838 N GLU A 90 -2.099 10.903 -1.392 1.00 0.00 N ATOM 839 CA GLU A 90 -0.915 11.655 -0.891 1.00 0.00 C ATOM 840 C GLU A 90 -0.153 12.252 -2.075 1.00 0.00 C ATOM 841 O GLU A 90 0.134 13.433 -2.123 1.00 0.00 O ATOM 842 CB GLU A 90 -0.059 10.614 -0.168 1.00 0.00 C ATOM 843 CG GLU A 90 -0.953 9.744 0.717 1.00 0.00 C ATOM 844 CD GLU A 90 -0.150 9.241 1.916 1.00 0.00 C ATOM 845 OE1 GLU A 90 0.948 8.751 1.704 1.00 0.00 O ATOM 846 OE2 GLU A 90 -0.643 9.355 3.026 1.00 0.00 O ATOM 0 H GLU A 90 -2.073 9.895 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.187 12.478 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.467 9.993 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.700 11.109 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.814 10.318 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.339 8.900 0.145 1.00 0.00 H new ATOM 853 N ALA A 91 0.169 11.436 -3.034 1.00 0.00 N ATOM 854 CA ALA A 91 0.905 11.931 -4.228 1.00 0.00 C ATOM 855 C ALA A 91 0.158 13.105 -4.861 1.00 0.00 C ATOM 856 O ALA A 91 0.754 13.989 -5.439 1.00 0.00 O ATOM 857 CB ALA A 91 0.938 10.740 -5.188 1.00 0.00 C ATOM 0 H ALA A 91 -0.047 10.439 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 91 1.905 12.288 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.466 11.022 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.453 9.905 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.081 10.444 -5.436 1.00 0.00 H new ATOM 863 N GLY A 92 -1.142 13.119 -4.756 1.00 0.00 N ATOM 864 CA GLY A 92 -1.929 14.234 -5.359 1.00 0.00 C ATOM 865 C GLY A 92 -1.790 15.487 -4.498 1.00 0.00 C ATOM 866 O GLY A 92 -1.377 16.529 -4.968 1.00 0.00 O ATOM 0 H GLY A 92 -1.695 12.407 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.576 14.435 -6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.978 13.950 -5.438 1.00 0.00 H new ATOM 870 N GLU A 93 -2.126 15.398 -3.242 1.00 0.00 N ATOM 871 CA GLU A 93 -2.004 16.590 -2.357 1.00 0.00 C ATOM 872 C GLU A 93 -0.609 17.203 -2.506 1.00 0.00 C ATOM 873 O GLU A 93 -0.388 18.355 -2.192 1.00 0.00 O ATOM 874 CB GLU A 93 -2.213 16.054 -0.940 1.00 0.00 C ATOM 875 CG GLU A 93 -1.073 15.105 -0.582 1.00 0.00 C ATOM 876 CD GLU A 93 -0.785 15.193 0.917 1.00 0.00 C ATOM 877 OE1 GLU A 93 -1.735 15.246 1.681 1.00 0.00 O ATOM 878 OE2 GLU A 93 0.381 15.208 1.275 1.00 0.00 O ATOM 0 H GLU A 93 -2.479 14.554 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.724 17.371 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.250 16.880 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.168 15.533 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.339 14.083 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.179 15.363 -1.150 1.00 0.00 H new ATOM 885 N LEU A 94 0.335 16.436 -2.983 1.00 0.00 N ATOM 886 CA LEU A 94 1.714 16.971 -3.154 1.00 0.00 C ATOM 887 C LEU A 94 1.842 17.660 -4.512 1.00 0.00 C ATOM 888 O LEU A 94 2.039 18.856 -4.591 1.00 0.00 O ATOM 889 CB LEU A 94 2.630 15.748 -3.088 1.00 0.00 C ATOM 890 CG LEU A 94 4.002 16.105 -3.664 1.00 0.00 C ATOM 891 CD1 LEU A 94 5.086 15.356 -2.893 1.00 0.00 C ATOM 892 CD2 LEU A 94 4.056 15.706 -5.141 1.00 0.00 C ATOM 0 H LEU A 94 0.209 15.463 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 94 1.968 17.709 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.733 15.413 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.192 14.922 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 94 4.167 17.179 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.064 15.609 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.047 15.641 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.921 14.282 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.033 15.960 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.892 14.632 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.281 16.241 -5.691 1.00 0.00 H new ATOM 904 N LEU A 95 1.743 16.920 -5.583 1.00 0.00 N ATOM 905 CA LEU A 95 1.872 17.554 -6.918 1.00 0.00 C ATOM 906 C LEU A 95 0.662 18.432 -7.218 1.00 0.00 C ATOM 907 O LEU A 95 0.796 19.545 -7.687 1.00 0.00 O ATOM 908 CB LEU A 95 1.980 16.399 -7.891 1.00 0.00 C ATOM 909 CG LEU A 95 0.782 15.494 -7.716 1.00 0.00 C ATOM 910 CD1 LEU A 95 -0.289 15.920 -8.704 1.00 0.00 C ATOM 911 CD2 LEU A 95 1.226 14.056 -7.956 1.00 0.00 C ATOM 0 H LEU A 95 1.580 15.913 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 95 2.739 18.212 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.024 16.772 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.901 15.843 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 95 0.370 15.564 -6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.163 15.278 -8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.572 16.955 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.098 15.834 -9.719 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.374 13.387 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.620 13.961 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.002 13.790 -7.238 1.00 0.00 H new ATOM 923 N GLY A 96 -0.518 17.957 -6.948 1.00 0.00 N ATOM 924 CA GLY A 96 -1.716 18.794 -7.220 1.00 0.00 C ATOM 925 C GLY A 96 -2.817 18.463 -6.216 1.00 0.00 C ATOM 926 O GLY A 96 -3.066 19.202 -5.286 1.00 0.00 O ATOM 0 H GLY A 96 -0.705 17.035 -6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.456 19.850 -7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.072 18.617 -8.235 1.00 0.00 H new ATOM 930 N LYS A 97 -3.470 17.353 -6.405 1.00 0.00 N ATOM 931 CA LYS A 97 -4.567 16.943 -5.472 1.00 0.00 C ATOM 932 C LYS A 97 -5.410 15.833 -6.110 1.00 0.00 C ATOM 933 O LYS A 97 -5.456 14.727 -5.609 1.00 0.00 O ATOM 934 CB LYS A 97 -5.415 18.197 -5.239 1.00 0.00 C ATOM 935 CG LYS A 97 -5.286 18.629 -3.775 1.00 0.00 C ATOM 936 CD LYS A 97 -6.218 19.812 -3.500 1.00 0.00 C ATOM 937 CE LYS A 97 -6.113 20.212 -2.025 1.00 0.00 C ATOM 938 NZ LYS A 97 -7.418 20.856 -1.706 1.00 0.00 N ATOM 0 H LYS A 97 -3.293 16.703 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.174 16.553 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.086 19.001 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.459 17.995 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.536 17.797 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.255 18.908 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.950 20.655 -4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.246 19.543 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.937 19.342 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.283 20.899 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.422 21.157 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.555 21.685 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.189 20.176 -1.865 1.00 0.00 H new ATOM 952 N PRO A 98 -6.045 16.162 -7.206 1.00 0.00 N ATOM 953 CA PRO A 98 -6.885 15.171 -7.924 1.00 0.00 C ATOM 954 C PRO A 98 -5.977 14.149 -8.599 1.00 0.00 C ATOM 955 O PRO A 98 -6.391 13.061 -8.950 1.00 0.00 O ATOM 956 CB PRO A 98 -7.631 16.012 -8.956 1.00 0.00 C ATOM 957 CG PRO A 98 -6.761 17.209 -9.174 1.00 0.00 C ATOM 958 CD PRO A 98 -6.037 17.467 -7.877 1.00 0.00 C ATOM 0 HA PRO A 98 -7.567 14.615 -7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -7.782 15.459 -9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -8.617 16.301 -8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -6.052 17.029 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -7.359 18.074 -9.461 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -5.021 17.822 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -6.543 18.227 -7.281 1.00 0.00 H new ATOM 966 N PHE A 99 -4.731 14.492 -8.765 1.00 0.00 N ATOM 967 CA PHE A 99 -3.776 13.553 -9.394 1.00 0.00 C ATOM 968 C PHE A 99 -3.978 12.160 -8.813 1.00 0.00 C ATOM 969 O PHE A 99 -4.145 11.190 -9.522 1.00 0.00 O ATOM 970 CB PHE A 99 -2.406 14.101 -9.012 1.00 0.00 C ATOM 971 CG PHE A 99 -1.354 13.034 -9.190 1.00 0.00 C ATOM 972 CD1 PHE A 99 -1.175 12.044 -8.213 1.00 0.00 C ATOM 973 CD2 PHE A 99 -0.553 13.042 -10.334 1.00 0.00 C ATOM 974 CE1 PHE A 99 -0.191 11.063 -8.389 1.00 0.00 C ATOM 975 CE2 PHE A 99 0.430 12.064 -10.509 1.00 0.00 C ATOM 976 CZ PHE A 99 0.612 11.073 -9.537 1.00 0.00 C ATOM 0 H PHE A 99 -4.335 15.390 -8.488 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.899 13.472 -10.474 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.166 14.966 -9.630 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.418 14.442 -7.977 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.794 12.038 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.693 13.805 -11.085 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.051 10.298 -7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.049 12.073 -11.394 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.371 10.317 -9.672 1.00 0.00 H new ATOM 986 N SER A 100 -3.962 12.074 -7.517 1.00 0.00 N ATOM 987 CA SER A 100 -4.143 10.769 -6.823 1.00 0.00 C ATOM 988 C SER A 100 -5.102 9.853 -7.577 1.00 0.00 C ATOM 989 O SER A 100 -4.775 8.736 -7.930 1.00 0.00 O ATOM 990 CB SER A 100 -4.754 11.143 -5.475 1.00 0.00 C ATOM 991 OG SER A 100 -3.883 12.031 -4.786 1.00 0.00 O ATOM 0 H SER A 100 -3.828 12.870 -6.893 1.00 0.00 H new ATOM 0 HA SER A 100 -3.200 10.228 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.726 11.613 -5.623 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.921 10.246 -4.879 1.00 0.00 H new ATOM 0 HG SER A 100 -2.960 11.713 -4.868 1.00 0.00 H new ATOM 997 N VAL A 101 -6.298 10.307 -7.784 1.00 0.00 N ATOM 998 CA VAL A 101 -7.308 9.458 -8.463 1.00 0.00 C ATOM 999 C VAL A 101 -7.178 9.476 -9.983 1.00 0.00 C ATOM 1000 O VAL A 101 -7.128 8.442 -10.614 1.00 0.00 O ATOM 1001 CB VAL A 101 -8.618 10.006 -8.017 1.00 0.00 C ATOM 1002 CG1 VAL A 101 -9.725 9.046 -8.440 1.00 0.00 C ATOM 1003 CG2 VAL A 101 -8.596 10.147 -6.495 1.00 0.00 C ATOM 0 H VAL A 101 -6.623 11.234 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.182 8.408 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.800 10.982 -8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -10.690 9.438 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -9.720 8.940 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.557 8.072 -7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.550 10.548 -6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.429 9.170 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.793 10.824 -6.204 1.00 0.00 H new ATOM 1013 N TYR A 102 -7.110 10.615 -10.602 1.00 0.00 N ATOM 1014 CA TYR A 102 -6.959 10.597 -12.082 1.00 0.00 C ATOM 1015 C TYR A 102 -5.813 9.638 -12.417 1.00 0.00 C ATOM 1016 O TYR A 102 -5.885 8.829 -13.333 1.00 0.00 O ATOM 1017 CB TYR A 102 -6.614 12.036 -12.477 1.00 0.00 C ATOM 1018 CG TYR A 102 -5.946 12.053 -13.834 1.00 0.00 C ATOM 1019 CD1 TYR A 102 -4.565 11.853 -13.938 1.00 0.00 C ATOM 1020 CD2 TYR A 102 -6.710 12.271 -14.988 1.00 0.00 C ATOM 1021 CE1 TYR A 102 -3.945 11.873 -15.194 1.00 0.00 C ATOM 1022 CE2 TYR A 102 -6.091 12.291 -16.245 1.00 0.00 C ATOM 1023 CZ TYR A 102 -4.708 12.092 -16.348 1.00 0.00 C ATOM 1024 OH TYR A 102 -4.098 12.110 -17.587 1.00 0.00 O ATOM 0 H TYR A 102 -7.151 11.536 -10.165 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.851 10.264 -12.612 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.519 12.643 -12.500 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -5.953 12.478 -11.731 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.976 11.683 -13.049 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.776 12.424 -14.909 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.879 11.720 -15.273 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.680 12.460 -17.134 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.771 12.273 -18.281 1.00 0.00 H new ATOM 1034 N ASP A 103 -4.765 9.700 -11.639 1.00 0.00 N ATOM 1035 CA ASP A 103 -3.615 8.795 -11.868 1.00 0.00 C ATOM 1036 C ASP A 103 -4.043 7.348 -11.685 1.00 0.00 C ATOM 1037 O ASP A 103 -3.687 6.496 -12.474 1.00 0.00 O ATOM 1038 CB ASP A 103 -2.569 9.175 -10.824 1.00 0.00 C ATOM 1039 CG ASP A 103 -1.695 10.301 -11.376 1.00 0.00 C ATOM 1040 OD1 ASP A 103 -2.185 11.415 -11.468 1.00 0.00 O ATOM 1041 OD2 ASP A 103 -0.555 10.026 -11.707 1.00 0.00 O ATOM 0 H ASP A 103 -4.661 10.343 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.222 8.892 -12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.056 9.495 -9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.954 8.310 -10.576 1.00 0.00 H new ATOM 1046 N LEU A 104 -4.807 7.033 -10.669 1.00 0.00 N ATOM 1047 CA LEU A 104 -5.206 5.615 -10.536 1.00 0.00 C ATOM 1048 C LEU A 104 -6.343 5.324 -11.515 1.00 0.00 C ATOM 1049 O LEU A 104 -6.367 4.307 -12.156 1.00 0.00 O ATOM 1050 CB LEU A 104 -5.601 5.394 -9.069 1.00 0.00 C ATOM 1051 CG LEU A 104 -6.878 6.152 -8.725 1.00 0.00 C ATOM 1052 CD1 LEU A 104 -8.100 5.349 -9.170 1.00 0.00 C ATOM 1053 CD2 LEU A 104 -6.936 6.372 -7.210 1.00 0.00 C ATOM 0 H LEU A 104 -5.156 7.673 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.399 4.926 -10.784 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.745 4.329 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.792 5.724 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.878 7.112 -9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.007 5.899 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.058 5.189 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.107 4.385 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.847 6.914 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.934 5.408 -6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.069 6.951 -6.893 1.00 0.00 H new ATOM 1065 N LEU A 105 -7.263 6.208 -11.707 1.00 0.00 N ATOM 1066 CA LEU A 105 -8.318 5.890 -12.704 1.00 0.00 C ATOM 1067 C LEU A 105 -7.658 5.498 -14.037 1.00 0.00 C ATOM 1068 O LEU A 105 -8.280 4.910 -14.900 1.00 0.00 O ATOM 1069 CB LEU A 105 -9.144 7.164 -12.859 1.00 0.00 C ATOM 1070 CG LEU A 105 -9.771 7.537 -11.519 1.00 0.00 C ATOM 1071 CD1 LEU A 105 -10.345 8.952 -11.604 1.00 0.00 C ATOM 1072 CD2 LEU A 105 -10.892 6.550 -11.189 1.00 0.00 C ATOM 0 H LEU A 105 -7.338 7.111 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.946 5.056 -12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.512 7.978 -13.215 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.923 7.015 -13.607 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.012 7.498 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.794 9.221 -10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.546 9.655 -11.840 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -11.105 8.990 -12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.341 6.816 -10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.652 6.589 -11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.483 5.541 -11.131 1.00 0.00 H new ATOM 1084 N ILE A 106 -6.396 5.809 -14.202 1.00 0.00 N ATOM 1085 CA ILE A 106 -5.688 5.446 -15.456 1.00 0.00 C ATOM 1086 C ILE A 106 -4.532 4.489 -15.124 1.00 0.00 C ATOM 1087 O ILE A 106 -4.120 3.688 -15.941 1.00 0.00 O ATOM 1088 CB ILE A 106 -5.208 6.785 -16.032 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -5.808 6.975 -17.427 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -3.687 6.820 -16.136 1.00 0.00 C ATOM 1091 CD1 ILE A 106 -5.236 5.919 -18.374 1.00 0.00 C ATOM 0 H ILE A 106 -5.827 6.302 -13.514 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.311 4.923 -16.181 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.531 7.585 -15.366 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.894 6.890 -17.383 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.582 7.974 -17.799 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.372 7.779 -16.547 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.251 6.689 -15.145 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.348 6.017 -16.790 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.662 6.053 -19.368 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.153 6.026 -18.426 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.485 4.925 -18.003 1.00 0.00 H new ATOM 1103 N ASN A 107 -4.014 4.567 -13.926 1.00 0.00 N ATOM 1104 CA ASN A 107 -2.894 3.665 -13.533 1.00 0.00 C ATOM 1105 C ASN A 107 -3.355 2.690 -12.440 1.00 0.00 C ATOM 1106 O ASN A 107 -2.615 1.828 -12.016 1.00 0.00 O ATOM 1107 CB ASN A 107 -1.784 4.610 -13.021 1.00 0.00 C ATOM 1108 CG ASN A 107 -1.703 4.592 -11.486 1.00 0.00 C ATOM 1109 OD1 ASN A 107 -1.544 3.548 -10.885 1.00 0.00 O ATOM 1110 ND2 ASN A 107 -1.797 5.711 -10.826 1.00 0.00 N ATOM 0 H ASN A 107 -4.320 5.218 -13.203 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.541 3.048 -14.359 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.824 4.310 -13.442 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -1.980 5.625 -13.366 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.737 5.709 -9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.930 6.589 -11.327 1.00 0.00 H new ATOM 1117 N VAL A 108 -4.566 2.824 -11.972 1.00 0.00 N ATOM 1118 CA VAL A 108 -5.047 1.910 -10.897 1.00 0.00 C ATOM 1119 C VAL A 108 -5.011 0.476 -11.387 1.00 0.00 C ATOM 1120 O VAL A 108 -5.137 -0.452 -10.614 1.00 0.00 O ATOM 1121 CB VAL A 108 -6.485 2.325 -10.572 1.00 0.00 C ATOM 1122 CG1 VAL A 108 -7.395 2.052 -11.777 1.00 0.00 C ATOM 1123 CG2 VAL A 108 -6.991 1.521 -9.375 1.00 0.00 C ATOM 0 H VAL A 108 -5.240 3.523 -12.285 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.416 1.976 -10.011 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.501 3.389 -10.338 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.416 2.350 -11.537 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.043 2.623 -12.636 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.374 0.989 -12.015 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.014 1.817 -9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.966 0.458 -9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.354 1.714 -8.512 1.00 0.00 H new ATOM 1133 N SER A 109 -4.825 0.283 -12.664 1.00 0.00 N ATOM 1134 CA SER A 109 -4.757 -1.116 -13.187 1.00 0.00 C ATOM 1135 C SER A 109 -3.913 -1.974 -12.239 1.00 0.00 C ATOM 1136 O SER A 109 -4.058 -3.180 -12.180 1.00 0.00 O ATOM 1137 CB SER A 109 -4.110 -1.011 -14.569 1.00 0.00 C ATOM 1138 OG SER A 109 -4.139 -2.283 -15.201 1.00 0.00 O ATOM 0 H SER A 109 -4.718 1.020 -13.361 1.00 0.00 H new ATOM 0 HA SER A 109 -5.738 -1.586 -13.256 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.641 -0.278 -15.177 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.082 -0.662 -14.476 1.00 0.00 H new ATOM 0 HG SER A 109 -3.726 -2.217 -16.087 1.00 0.00 H new ATOM 1144 N SER A 110 -3.064 -1.352 -11.464 1.00 0.00 N ATOM 1145 CA SER A 110 -2.244 -2.104 -10.477 1.00 0.00 C ATOM 1146 C SER A 110 -3.094 -3.137 -9.733 1.00 0.00 C ATOM 1147 O SER A 110 -2.573 -4.033 -9.097 1.00 0.00 O ATOM 1148 CB SER A 110 -1.776 -1.036 -9.487 1.00 0.00 C ATOM 1149 OG SER A 110 -0.669 -1.532 -8.749 1.00 0.00 O ATOM 0 H SER A 110 -2.904 -0.345 -11.475 1.00 0.00 H new ATOM 0 HA SER A 110 -1.427 -2.644 -10.956 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.495 -0.128 -10.020 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.588 -0.770 -8.811 1.00 0.00 H new ATOM 0 HG SER A 110 -0.989 -2.129 -8.041 1.00 0.00 H new ATOM 1155 N THR A 111 -4.398 -3.018 -9.774 1.00 0.00 N ATOM 1156 CA THR A 111 -5.236 -3.995 -9.031 1.00 0.00 C ATOM 1157 C THR A 111 -5.968 -4.926 -10.000 1.00 0.00 C ATOM 1158 O THR A 111 -7.144 -5.193 -9.851 1.00 0.00 O ATOM 1159 CB THR A 111 -6.247 -3.151 -8.244 1.00 0.00 C ATOM 1160 OG1 THR A 111 -7.337 -2.811 -9.091 1.00 0.00 O ATOM 1161 CG2 THR A 111 -5.584 -1.869 -7.731 1.00 0.00 C ATOM 0 H THR A 111 -4.908 -2.296 -10.283 1.00 0.00 H new ATOM 0 HA THR A 111 -4.632 -4.626 -8.378 1.00 0.00 H new ATOM 0 HB THR A 111 -6.605 -3.730 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A 111 -7.831 -3.623 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.313 -1.280 -7.175 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.751 -2.127 -7.077 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.216 -1.287 -8.576 1.00 0.00 H new ATOM 1169 N VAL A 112 -5.284 -5.423 -10.988 1.00 0.00 N ATOM 1170 CA VAL A 112 -5.945 -6.338 -11.961 1.00 0.00 C ATOM 1171 C VAL A 112 -6.569 -7.526 -11.224 1.00 0.00 C ATOM 1172 O VAL A 112 -7.517 -8.127 -11.688 1.00 0.00 O ATOM 1173 CB VAL A 112 -4.832 -6.809 -12.899 1.00 0.00 C ATOM 1174 CG1 VAL A 112 -4.500 -5.694 -13.894 1.00 0.00 C ATOM 1175 CG2 VAL A 112 -3.585 -7.156 -12.084 1.00 0.00 C ATOM 0 H VAL A 112 -4.297 -5.237 -11.166 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.748 -5.844 -12.509 1.00 0.00 H new ATOM 0 HB VAL A 112 -5.165 -7.694 -13.441 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -3.707 -6.028 -14.563 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -5.388 -5.450 -14.477 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.168 -4.809 -13.351 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -2.794 -7.491 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.249 -6.274 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.822 -7.951 -11.377 1.00 0.00 H new ATOM 1185 N GLY A 113 -6.051 -7.865 -10.074 1.00 0.00 N ATOM 1186 CA GLY A 113 -6.625 -9.007 -9.310 1.00 0.00 C ATOM 1187 C GLY A 113 -7.601 -8.467 -8.267 1.00 0.00 C ATOM 1188 O GLY A 113 -8.803 -8.584 -8.405 1.00 0.00 O ATOM 0 H GLY A 113 -5.257 -7.401 -9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.137 -9.692 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -5.830 -9.573 -8.824 1.00 0.00 H new ATOM 1192 N ARG A 114 -7.092 -7.871 -7.225 1.00 0.00 N ATOM 1193 CA ARG A 114 -7.960 -7.319 -6.178 1.00 0.00 C ATOM 1194 C ARG A 114 -7.610 -5.849 -5.936 1.00 0.00 C ATOM 1195 O ARG A 114 -6.506 -5.419 -6.205 1.00 0.00 O ATOM 1196 CB ARG A 114 -7.654 -8.160 -4.956 1.00 0.00 C ATOM 1197 CG ARG A 114 -8.878 -9.000 -4.585 1.00 0.00 C ATOM 1198 CD ARG A 114 -9.589 -8.376 -3.383 1.00 0.00 C ATOM 1199 NE ARG A 114 -11.001 -8.197 -3.824 1.00 0.00 N ATOM 1200 CZ ARG A 114 -11.973 -8.712 -3.124 1.00 0.00 C ATOM 1201 NH1 ARG A 114 -12.114 -10.007 -3.055 1.00 0.00 N ATOM 1202 NH2 ARG A 114 -12.807 -7.930 -2.493 1.00 0.00 N ATOM 0 H ARG A 114 -6.093 -7.747 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.018 -7.349 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -6.802 -8.810 -5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -7.376 -7.517 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -9.561 -9.059 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -8.573 -10.020 -4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -9.527 -9.023 -2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -9.137 -7.423 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.207 -7.672 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -11.463 -10.618 -3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.875 -10.409 -2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.698 -6.917 -2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -13.568 -8.332 -1.945 1.00 0.00 H new ATOM 1216 N ALA A 115 -8.532 -5.071 -5.439 1.00 0.00 N ATOM 1217 CA ALA A 115 -8.230 -3.630 -5.197 1.00 0.00 C ATOM 1218 C ALA A 115 -9.057 -3.086 -4.036 1.00 0.00 C ATOM 1219 O ALA A 115 -9.996 -2.338 -4.229 1.00 0.00 O ATOM 1220 CB ALA A 115 -8.611 -2.924 -6.497 1.00 0.00 C ATOM 0 H ALA A 115 -9.476 -5.367 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.184 -3.475 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.418 -1.856 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.018 -3.327 -7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.670 -3.085 -6.702 1.00 0.00 H new ATOM 1226 N TYR A 116 -8.707 -3.429 -2.828 1.00 0.00 N ATOM 1227 CA TYR A 116 -9.473 -2.895 -1.672 1.00 0.00 C ATOM 1228 C TYR A 116 -9.195 -1.397 -1.561 1.00 0.00 C ATOM 1229 O TYR A 116 -8.152 -0.982 -1.099 1.00 0.00 O ATOM 1230 CB TYR A 116 -8.945 -3.638 -0.446 1.00 0.00 C ATOM 1231 CG TYR A 116 -10.050 -3.741 0.576 1.00 0.00 C ATOM 1232 CD1 TYR A 116 -11.067 -4.689 0.412 1.00 0.00 C ATOM 1233 CD2 TYR A 116 -10.066 -2.879 1.678 1.00 0.00 C ATOM 1234 CE1 TYR A 116 -12.098 -4.778 1.353 1.00 0.00 C ATOM 1235 CE2 TYR A 116 -11.099 -2.967 2.619 1.00 0.00 C ATOM 1236 CZ TYR A 116 -12.116 -3.917 2.456 1.00 0.00 C ATOM 1237 OH TYR A 116 -13.136 -4.002 3.381 1.00 0.00 O ATOM 0 H TYR A 116 -7.932 -4.049 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 116 -10.549 -3.034 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.598 -4.632 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -8.090 -3.110 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -11.055 -5.351 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.282 -2.146 1.803 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -12.881 -5.512 1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.112 -2.303 3.470 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.997 -3.334 4.084 1.00 0.00 H new ATOM 1247 N THR A 117 -10.109 -0.586 -2.011 1.00 0.00 N ATOM 1248 CA THR A 117 -9.882 0.884 -1.965 1.00 0.00 C ATOM 1249 C THR A 117 -10.139 1.438 -0.564 1.00 0.00 C ATOM 1250 O THR A 117 -10.763 0.809 0.267 1.00 0.00 O ATOM 1251 CB THR A 117 -10.877 1.465 -2.971 1.00 0.00 C ATOM 1252 OG1 THR A 117 -10.393 1.244 -4.288 1.00 0.00 O ATOM 1253 CG2 THR A 117 -11.041 2.967 -2.728 1.00 0.00 C ATOM 0 H THR A 117 -11.002 -0.877 -2.408 1.00 0.00 H new ATOM 0 HA THR A 117 -8.852 1.144 -2.207 1.00 0.00 H new ATOM 0 HB THR A 117 -11.844 0.977 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.028 1.613 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 117 -11.751 3.377 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.412 3.134 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.077 3.462 -2.847 1.00 0.00 H new ATOM 1261 N LEU A 118 -9.653 2.619 -0.309 1.00 0.00 N ATOM 1262 CA LEU A 118 -9.849 3.246 1.027 1.00 0.00 C ATOM 1263 C LEU A 118 -9.962 4.752 0.880 1.00 0.00 C ATOM 1264 O LEU A 118 -9.458 5.492 1.696 1.00 0.00 O ATOM 1265 CB LEU A 118 -8.607 2.872 1.837 1.00 0.00 C ATOM 1266 CG LEU A 118 -9.005 2.652 3.297 1.00 0.00 C ATOM 1267 CD1 LEU A 118 -8.003 1.711 3.967 1.00 0.00 C ATOM 1268 CD2 LEU A 118 -9.011 3.996 4.028 1.00 0.00 C ATOM 0 H LEU A 118 -9.124 3.182 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.761 2.903 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.153 1.968 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.861 3.663 1.767 1.00 0.00 H new ATOM 0 HG LEU A 118 -10.000 2.208 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.289 1.556 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.998 0.754 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.007 2.152 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.294 3.843 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.016 4.438 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.727 4.666 3.552 1.00 0.00 H new ATOM 1280 N GLY A 119 -10.636 5.204 -0.147 1.00 0.00 N ATOM 1281 CA GLY A 119 -10.812 6.672 -0.357 1.00 0.00 C ATOM 1282 C GLY A 119 -9.460 7.356 -0.497 1.00 0.00 C ATOM 1283 O GLY A 119 -9.148 7.963 -1.503 1.00 0.00 O ATOM 0 H GLY A 119 -11.075 4.614 -0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -11.410 6.848 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -11.359 7.102 0.482 1.00 0.00 H new ATOM 1287 N THR A 120 -8.669 7.265 0.517 1.00 0.00 N ATOM 1288 CA THR A 120 -7.326 7.907 0.494 1.00 0.00 C ATOM 1289 C THR A 120 -6.267 6.914 0.017 1.00 0.00 C ATOM 1290 O THR A 120 -5.171 7.294 -0.344 1.00 0.00 O ATOM 1291 CB THR A 120 -7.060 8.312 1.945 1.00 0.00 C ATOM 1292 OG1 THR A 120 -8.255 8.829 2.517 1.00 0.00 O ATOM 1293 CG2 THR A 120 -5.966 9.381 1.991 1.00 0.00 C ATOM 0 H THR A 120 -8.891 6.767 1.379 1.00 0.00 H new ATOM 0 HA THR A 120 -7.289 8.758 -0.186 1.00 0.00 H new ATOM 0 HB THR A 120 -6.732 7.439 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 120 -8.087 9.087 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 120 -5.780 9.667 3.026 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.050 8.983 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.288 10.256 1.426 1.00 0.00 H new ATOM 1301 N LYS A 121 -6.571 5.644 0.019 1.00 0.00 N ATOM 1302 CA LYS A 121 -5.549 4.651 -0.433 1.00 0.00 C ATOM 1303 C LYS A 121 -6.208 3.324 -0.834 1.00 0.00 C ATOM 1304 O LYS A 121 -7.261 2.969 -0.348 1.00 0.00 O ATOM 1305 CB LYS A 121 -4.628 4.479 0.788 1.00 0.00 C ATOM 1306 CG LYS A 121 -4.144 3.028 0.908 1.00 0.00 C ATOM 1307 CD LYS A 121 -5.167 2.213 1.701 1.00 0.00 C ATOM 1308 CE LYS A 121 -4.689 2.057 3.147 1.00 0.00 C ATOM 1309 NZ LYS A 121 -4.116 0.683 3.221 1.00 0.00 N ATOM 0 H LYS A 121 -7.468 5.253 0.309 1.00 0.00 H new ATOM 0 HA LYS A 121 -5.004 4.982 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.771 5.146 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.162 4.765 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.008 2.596 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -3.174 2.997 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -6.137 2.709 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -5.300 1.233 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.942 2.810 3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -5.513 2.179 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -3.767 0.504 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -4.851 -0.013 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -3.329 0.598 2.547 1.00 0.00 H new ATOM 1323 N PHE A 122 -5.576 2.578 -1.706 1.00 0.00 N ATOM 1324 CA PHE A 122 -6.146 1.267 -2.118 1.00 0.00 C ATOM 1325 C PHE A 122 -5.039 0.208 -2.108 1.00 0.00 C ATOM 1326 O PHE A 122 -3.866 0.524 -2.019 1.00 0.00 O ATOM 1327 CB PHE A 122 -6.741 1.464 -3.526 1.00 0.00 C ATOM 1328 CG PHE A 122 -5.848 2.310 -4.415 1.00 0.00 C ATOM 1329 CD1 PHE A 122 -5.593 3.653 -4.102 1.00 0.00 C ATOM 1330 CD2 PHE A 122 -5.306 1.752 -5.582 1.00 0.00 C ATOM 1331 CE1 PHE A 122 -4.794 4.431 -4.951 1.00 0.00 C ATOM 1332 CE2 PHE A 122 -4.506 2.531 -6.426 1.00 0.00 C ATOM 1333 CZ PHE A 122 -4.251 3.870 -6.112 1.00 0.00 C ATOM 0 H PHE A 122 -4.690 2.824 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 122 -6.924 0.923 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.897 0.491 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.719 1.937 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -6.012 4.088 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.506 0.720 -5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -4.597 5.465 -4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.085 2.098 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.635 4.470 -6.765 1.00 0.00 H new ATOM 1343 N THR A 123 -5.393 -1.046 -2.176 1.00 0.00 N ATOM 1344 CA THR A 123 -4.366 -2.097 -2.146 1.00 0.00 C ATOM 1345 C THR A 123 -4.763 -3.256 -3.053 1.00 0.00 C ATOM 1346 O THR A 123 -5.919 -3.435 -3.371 1.00 0.00 O ATOM 1347 CB THR A 123 -4.293 -2.533 -0.681 1.00 0.00 C ATOM 1348 OG1 THR A 123 -3.132 -3.328 -0.481 1.00 0.00 O ATOM 1349 CG2 THR A 123 -5.543 -3.340 -0.305 1.00 0.00 C ATOM 0 H THR A 123 -6.355 -1.378 -2.251 1.00 0.00 H new ATOM 0 HA THR A 123 -3.400 -1.747 -2.509 1.00 0.00 H new ATOM 0 HB THR A 123 -4.243 -1.647 -0.048 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.084 -3.606 0.457 1.00 0.00 H new ATOM 0 HG21 THR A 123 -5.479 -3.644 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 123 -6.431 -2.724 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.608 -4.225 -0.937 1.00 0.00 H new ATOM 1357 N ILE A 124 -3.815 -4.035 -3.481 1.00 0.00 N ATOM 1358 CA ILE A 124 -4.145 -5.169 -4.382 1.00 0.00 C ATOM 1359 C ILE A 124 -3.704 -6.493 -3.753 1.00 0.00 C ATOM 1360 O ILE A 124 -2.757 -6.547 -2.994 1.00 0.00 O ATOM 1361 CB ILE A 124 -3.364 -4.878 -5.662 1.00 0.00 C ATOM 1362 CG1 ILE A 124 -3.879 -3.574 -6.285 1.00 0.00 C ATOM 1363 CG2 ILE A 124 -3.559 -6.028 -6.653 1.00 0.00 C ATOM 1364 CD1 ILE A 124 -3.386 -2.370 -5.471 1.00 0.00 C ATOM 0 H ILE A 124 -2.827 -3.937 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.215 -5.262 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 124 -2.304 -4.778 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -3.533 -3.493 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -4.969 -3.581 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.002 -5.820 -7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -3.196 -6.956 -6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.618 -6.129 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -3.757 -1.450 -5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.754 -2.447 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.296 -2.357 -5.464 1.00 0.00 H new ATOM 1376 N THR A 125 -4.392 -7.560 -4.059 1.00 0.00 N ATOM 1377 CA THR A 125 -4.023 -8.882 -3.474 1.00 0.00 C ATOM 1378 C THR A 125 -4.614 -10.016 -4.307 1.00 0.00 C ATOM 1379 O THR A 125 -5.024 -9.830 -5.434 1.00 0.00 O ATOM 1380 CB THR A 125 -4.638 -8.874 -2.074 1.00 0.00 C ATOM 1381 OG1 THR A 125 -4.411 -10.132 -1.453 1.00 0.00 O ATOM 1382 CG2 THR A 125 -6.141 -8.617 -2.177 1.00 0.00 C ATOM 0 H THR A 125 -5.194 -7.574 -4.689 1.00 0.00 H new ATOM 0 HA THR A 125 -2.944 -9.036 -3.451 1.00 0.00 H new ATOM 0 HB THR A 125 -4.178 -8.086 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 125 -4.803 -10.129 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 125 -6.578 -8.612 -1.179 1.00 0.00 H new ATOM 0 HG22 THR A 125 -6.313 -7.652 -2.654 1.00 0.00 H new ATOM 0 HG23 THR A 125 -6.605 -9.404 -2.772 1.00 0.00 H new ATOM 1390 N SER A 126 -4.659 -11.190 -3.754 1.00 0.00 N ATOM 1391 CA SER A 126 -5.227 -12.346 -4.500 1.00 0.00 C ATOM 1392 C SER A 126 -5.753 -13.392 -3.519 1.00 0.00 C ATOM 1393 O SER A 126 -6.945 -13.552 -3.344 1.00 0.00 O ATOM 1394 CB SER A 126 -4.062 -12.905 -5.316 1.00 0.00 C ATOM 1395 OG SER A 126 -4.359 -12.781 -6.700 1.00 0.00 O ATOM 0 H SER A 126 -4.326 -11.403 -2.814 1.00 0.00 H new ATOM 0 HA SER A 126 -6.063 -12.059 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 126 -3.145 -12.366 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 126 -3.892 -13.951 -5.061 1.00 0.00 H new ATOM 0 HG SER A 126 -3.527 -12.812 -7.217 1.00 0.00 H new ATOM 1401 N GLU A 127 -4.873 -14.100 -2.874 1.00 0.00 N ATOM 1402 CA GLU A 127 -5.316 -15.134 -1.896 1.00 0.00 C ATOM 1403 C GLU A 127 -6.112 -14.484 -0.761 1.00 0.00 C ATOM 1404 O GLU A 127 -5.571 -13.750 0.043 1.00 0.00 O ATOM 1405 CB GLU A 127 -4.023 -15.746 -1.360 1.00 0.00 C ATOM 1406 CG GLU A 127 -3.558 -16.856 -2.302 1.00 0.00 C ATOM 1407 CD GLU A 127 -3.468 -18.176 -1.533 1.00 0.00 C ATOM 1408 OE1 GLU A 127 -4.507 -18.760 -1.276 1.00 0.00 O ATOM 1409 OE2 GLU A 127 -2.362 -18.580 -1.215 1.00 0.00 O ATOM 0 H GLU A 127 -3.863 -14.009 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.966 -15.882 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.253 -14.979 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.185 -16.147 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.254 -16.955 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.586 -16.604 -2.727 1.00 0.00 H new ATOM 1416 N LEU A 128 -7.392 -14.743 -0.695 1.00 0.00 N ATOM 1417 CA LEU A 128 -8.230 -14.145 0.376 1.00 0.00 C ATOM 1418 C LEU A 128 -7.464 -14.105 1.701 1.00 0.00 C ATOM 1419 O LEU A 128 -6.889 -13.100 2.068 1.00 0.00 O ATOM 1420 CB LEU A 128 -9.445 -15.067 0.488 1.00 0.00 C ATOM 1421 CG LEU A 128 -10.311 -14.923 -0.764 1.00 0.00 C ATOM 1422 CD1 LEU A 128 -10.239 -16.211 -1.585 1.00 0.00 C ATOM 1423 CD2 LEU A 128 -11.761 -14.662 -0.352 1.00 0.00 C ATOM 0 H LEU A 128 -7.893 -15.349 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 128 -8.513 -13.118 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -9.121 -16.101 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -10.025 -14.815 1.376 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.947 -14.089 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.856 -16.109 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -9.206 -16.399 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -10.603 -17.045 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -12.380 -14.559 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.125 -15.496 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.813 -13.744 0.234 1.00 0.00 H new TER 1435 LEU A 128