USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 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 36 CYS SG : rot 44:sc= -1.36! USER MOD Set 1.2: A 38 MET CE :methyl 155:sc= -0.186 (180deg=-0.902) USER MOD Set 1.3: A 49 CYS SG : rot 29:sc= 1.22 USER MOD Set 2.1: A 28 SER OG : rot 63:sc= 1.99 USER MOD Set 2.2: A 33 CYS SG : rot 128:sc= 0.896 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 5 MET CE :methyl -162:sc= -0.119 (180deg=-0.719) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.23 (180deg=1.1) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.21) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 111:sc= 0.416 USER MOD Single : A 13 ASN : amide:sc= -0.0909 X(o=-0.091,f=-0.0045) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00677 USER MOD Single : A 25 GLN : amide:sc= -0.825 K(o=-0.82,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.1) USER MOD Single : A 35 ASN : amide:sc= 1.06 K(o=1.1,f=-0.12) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -39:sc= 0.188 USER MOD Single : A 45 ASN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= -1.02 K(o=-1,f=-1.9!) USER MOD Single : A 56 HIS : no HE2:sc= 0.485 K(o=0.48,f=-2.3!) USER MOD Single : A 58 HIS : no HE2:sc= 1.03 K(o=1,f=-4.1!) USER MOD Single : A 66 MET CE :methyl -117:sc= -1.94 (180deg=-5!) USER MOD Single : A 67 ASN : amide:sc= -2.26! C(o=-2.3!,f=-5.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 165:sc= -2.24! (180deg=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00938) USER MOD Single : A 79 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 83 THR OG1 : rot 46:sc= 0.0994 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 19:sc= 0.822 USER MOD Single : A 87 GLN : amide:sc= -2.08 K(o=-2.1,f=-0.42) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.379 -15.982 -5.342 1.00 0.00 N ATOM 2 CA MET A 1 -3.691 -15.955 -4.029 1.00 0.00 C ATOM 3 C MET A 1 -3.701 -14.544 -3.449 1.00 0.00 C ATOM 4 O MET A 1 -4.000 -14.356 -2.270 1.00 0.00 O ATOM 5 CB MET A 1 -2.252 -16.460 -4.164 1.00 0.00 C ATOM 6 CG MET A 1 -1.490 -16.508 -2.847 1.00 0.00 C ATOM 7 SD MET A 1 -2.297 -17.553 -1.618 1.00 0.00 S ATOM 8 CE MET A 1 -1.140 -17.436 -0.255 1.00 0.00 C ATOM 0 H1 MET A 1 -4.619 -16.964 -5.588 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.249 -15.415 -5.290 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.752 -15.586 -6.071 1.00 0.00 H new ATOM 0 HA MET A 1 -4.229 -16.616 -3.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.267 -17.459 -4.601 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.715 -15.816 -4.860 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.481 -16.879 -3.028 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.392 -15.497 -2.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.503 -18.032 0.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.166 -17.810 -0.571 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.046 -16.395 0.054 1.00 0.00 H new ATOM 20 N GLU A 2 -3.382 -13.551 -4.283 1.00 0.00 N ATOM 21 CA GLU A 2 -3.412 -12.150 -3.863 1.00 0.00 C ATOM 22 C GLU A 2 -4.826 -11.743 -3.473 1.00 0.00 C ATOM 23 O GLU A 2 -5.030 -10.863 -2.640 1.00 0.00 O ATOM 24 CB GLU A 2 -2.913 -11.230 -4.987 1.00 0.00 C ATOM 25 CG GLU A 2 -1.421 -11.329 -5.277 1.00 0.00 C ATOM 26 CD GLU A 2 -1.007 -12.653 -5.890 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.838 -13.293 -6.569 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.164 -13.050 -5.714 1.00 0.00 O ATOM 0 H GLU A 2 -3.100 -13.693 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.753 -12.047 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.463 -11.463 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.151 -10.199 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.136 -10.521 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.869 -11.179 -4.349 1.00 0.00 H new ATOM 35 N ASP A 3 -5.796 -12.414 -4.077 1.00 0.00 N ATOM 36 CA ASP A 3 -7.208 -12.141 -3.835 1.00 0.00 C ATOM 37 C ASP A 3 -7.627 -12.566 -2.429 1.00 0.00 C ATOM 38 O ASP A 3 -8.664 -12.139 -1.931 1.00 0.00 O ATOM 39 CB ASP A 3 -8.070 -12.855 -4.880 1.00 0.00 C ATOM 40 CG ASP A 3 -7.910 -14.364 -4.850 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.786 -14.854 -5.104 1.00 0.00 O ATOM 42 OD2 ASP A 3 -8.909 -15.066 -4.594 1.00 0.00 O ATOM 0 H ASP A 3 -5.628 -13.163 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.359 -11.065 -3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.117 -12.603 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.808 -12.487 -5.872 1.00 0.00 H new ATOM 47 N GLU A 4 -6.817 -13.403 -1.790 1.00 0.00 N ATOM 48 CA GLU A 4 -7.095 -13.834 -0.425 1.00 0.00 C ATOM 49 C GLU A 4 -6.549 -12.832 0.585 1.00 0.00 C ATOM 50 O GLU A 4 -7.017 -12.767 1.722 1.00 0.00 O ATOM 51 CB GLU A 4 -6.497 -15.215 -0.157 1.00 0.00 C ATOM 52 CG GLU A 4 -7.299 -16.351 -0.767 1.00 0.00 C ATOM 53 CD GLU A 4 -8.716 -16.399 -0.235 1.00 0.00 C ATOM 54 OE1 GLU A 4 -9.661 -16.202 -1.023 1.00 0.00 O ATOM 55 OE2 GLU A 4 -8.888 -16.614 0.985 1.00 0.00 O ATOM 0 H GLU A 4 -5.966 -13.795 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.178 -13.891 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.481 -15.245 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.425 -15.369 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.323 -16.236 -1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.802 -17.298 -0.558 1.00 0.00 H new ATOM 62 N MET A 5 -5.559 -12.054 0.164 1.00 0.00 N ATOM 63 CA MET A 5 -4.945 -11.053 1.029 1.00 0.00 C ATOM 64 C MET A 5 -4.903 -9.698 0.328 1.00 0.00 C ATOM 65 O MET A 5 -3.836 -9.222 -0.058 1.00 0.00 O ATOM 66 CB MET A 5 -3.523 -11.474 1.416 1.00 0.00 C ATOM 67 CG MET A 5 -3.450 -12.807 2.142 1.00 0.00 C ATOM 68 SD MET A 5 -1.772 -13.226 2.657 1.00 0.00 S ATOM 69 CE MET A 5 -0.933 -13.266 1.075 1.00 0.00 C ATOM 0 H MET A 5 -5.163 -12.097 -0.775 1.00 0.00 H new ATOM 0 HA MET A 5 -5.549 -10.970 1.933 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.913 -11.529 0.514 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.086 -10.702 2.050 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.098 -12.775 3.018 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.833 -13.593 1.491 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.006 -13.810 1.175 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.565 -13.765 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.729 -12.247 0.745 1.00 0.00 H new ATOM 79 N PRO A 6 -6.068 -9.045 0.177 1.00 0.00 N ATOM 80 CA PRO A 6 -6.173 -7.784 -0.563 1.00 0.00 C ATOM 81 C PRO A 6 -5.467 -6.632 0.148 1.00 0.00 C ATOM 82 O PRO A 6 -5.640 -6.426 1.349 1.00 0.00 O ATOM 83 CB PRO A 6 -7.681 -7.527 -0.622 1.00 0.00 C ATOM 84 CG PRO A 6 -8.238 -8.262 0.546 1.00 0.00 C ATOM 85 CD PRO A 6 -7.369 -9.474 0.724 1.00 0.00 C ATOM 0 HA PRO A 6 -5.699 -7.849 -1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.903 -6.462 -0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.108 -7.889 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.227 -7.639 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.275 -8.548 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.289 -9.761 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.766 -10.336 0.187 1.00 0.00 H new ATOM 93 N LYS A 7 -4.663 -5.885 -0.594 1.00 0.00 N ATOM 94 CA LYS A 7 -3.988 -4.715 -0.045 1.00 0.00 C ATOM 95 C LYS A 7 -4.807 -3.455 -0.314 1.00 0.00 C ATOM 96 O LYS A 7 -4.343 -2.338 -0.089 1.00 0.00 O ATOM 97 CB LYS A 7 -2.582 -4.560 -0.644 1.00 0.00 C ATOM 98 CG LYS A 7 -1.602 -5.648 -0.228 1.00 0.00 C ATOM 99 CD LYS A 7 -0.212 -5.395 -0.799 1.00 0.00 C ATOM 100 CE LYS A 7 0.804 -6.398 -0.268 1.00 0.00 C ATOM 101 NZ LYS A 7 2.166 -6.161 -0.822 1.00 0.00 N ATOM 0 H LYS A 7 -4.461 -6.067 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.892 -4.856 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.661 -4.555 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.179 -3.591 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.547 -5.693 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.966 -6.617 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.249 -5.455 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.107 -4.384 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.840 -6.336 0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.481 -7.408 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.811 -6.906 -0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.126 -6.178 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.514 -5.234 -0.504 1.00 0.00 H new ATOM 115 N THR A 8 -6.025 -3.648 -0.799 1.00 0.00 N ATOM 116 CA THR A 8 -6.907 -2.541 -1.119 1.00 0.00 C ATOM 117 C THR A 8 -8.079 -2.489 -0.139 1.00 0.00 C ATOM 118 O THR A 8 -8.861 -3.438 -0.040 1.00 0.00 O ATOM 119 CB THR A 8 -7.442 -2.670 -2.560 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.345 -2.844 -3.467 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.238 -1.437 -2.959 1.00 0.00 C ATOM 0 H THR A 8 -6.425 -4.569 -0.980 1.00 0.00 H new ATOM 0 HA THR A 8 -6.333 -1.618 -1.037 1.00 0.00 H new ATOM 0 HB THR A 8 -8.102 -3.537 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.687 -2.927 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.603 -1.554 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.084 -1.315 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.598 -0.557 -2.902 1.00 0.00 H new ATOM 129 N LEU A 9 -8.188 -1.389 0.590 1.00 0.00 N ATOM 130 CA LEU A 9 -9.257 -1.216 1.559 1.00 0.00 C ATOM 131 C LEU A 9 -10.444 -0.500 0.930 1.00 0.00 C ATOM 132 O LEU A 9 -10.285 0.502 0.233 1.00 0.00 O ATOM 133 CB LEU A 9 -8.764 -0.451 2.793 1.00 0.00 C ATOM 134 CG LEU A 9 -7.898 -1.256 3.776 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.625 -2.510 4.231 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.552 -1.616 3.164 1.00 0.00 C ATOM 0 H LEU A 9 -7.545 -0.599 0.528 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.580 -2.206 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.191 0.413 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.631 -0.069 3.331 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.714 -0.625 4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.994 -3.064 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.554 -2.232 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.849 -3.135 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.965 -2.185 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.709 -2.218 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.017 -0.704 2.899 1.00 0.00 H new ATOM 148 N TYR A 10 -11.623 -1.041 1.175 1.00 0.00 N ATOM 149 CA TYR A 10 -12.866 -0.494 0.660 1.00 0.00 C ATOM 150 C TYR A 10 -13.593 0.260 1.767 1.00 0.00 C ATOM 151 O TYR A 10 -14.280 -0.344 2.593 1.00 0.00 O ATOM 152 CB TYR A 10 -13.738 -1.642 0.132 1.00 0.00 C ATOM 153 CG TYR A 10 -15.053 -1.220 -0.487 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.204 -1.107 0.283 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.145 -0.958 -1.845 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.410 -0.743 -0.284 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.346 -0.590 -2.420 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.476 -0.485 -1.636 1.00 0.00 C ATOM 159 OH TYR A 10 -18.677 -0.122 -2.206 1.00 0.00 O ATOM 0 H TYR A 10 -11.747 -1.880 1.742 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.657 0.201 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.167 -2.199 -0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.945 -2.327 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.155 -1.307 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.264 -1.043 -2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.296 -0.661 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.400 -0.385 -3.479 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.637 0.817 -2.484 1.00 0.00 H new ATOM 169 N VAL A 11 -13.421 1.568 1.801 1.00 0.00 N ATOM 170 CA VAL A 11 -14.073 2.384 2.814 1.00 0.00 C ATOM 171 C VAL A 11 -15.310 3.054 2.240 1.00 0.00 C ATOM 172 O VAL A 11 -15.219 3.837 1.300 1.00 0.00 O ATOM 173 CB VAL A 11 -13.130 3.458 3.395 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.843 4.284 4.460 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.882 2.810 3.968 1.00 0.00 C ATOM 0 H VAL A 11 -12.839 2.088 1.144 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.358 1.714 3.625 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.834 4.128 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.159 5.035 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.709 4.778 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.171 3.630 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.226 3.580 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.163 2.117 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.360 2.267 3.180 1.00 0.00 H new ATOM 185 N GLY A 12 -16.460 2.732 2.805 1.00 0.00 N ATOM 186 CA GLY A 12 -17.706 3.280 2.322 1.00 0.00 C ATOM 187 C GLY A 12 -18.324 4.259 3.297 1.00 0.00 C ATOM 188 O GLY A 12 -17.847 4.407 4.429 1.00 0.00 O ATOM 0 H GLY A 12 -16.553 2.095 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.534 3.780 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.408 2.468 2.133 1.00 0.00 H new ATOM 192 N ASN A 13 -19.379 4.922 2.841 1.00 0.00 N ATOM 193 CA ASN A 13 -20.124 5.897 3.633 1.00 0.00 C ATOM 194 C ASN A 13 -19.279 7.133 3.894 1.00 0.00 C ATOM 195 O ASN A 13 -19.138 7.593 5.029 1.00 0.00 O ATOM 196 CB ASN A 13 -20.629 5.297 4.952 1.00 0.00 C ATOM 197 CG ASN A 13 -21.775 6.100 5.548 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.940 5.883 5.210 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.461 7.022 6.446 1.00 0.00 N ATOM 0 H ASN A 13 -19.748 4.797 1.898 1.00 0.00 H new ATOM 0 HA ASN A 13 -20.999 6.188 3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.957 4.272 4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -19.808 5.254 5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.195 7.580 6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.485 7.174 6.701 1.00 0.00 H new ATOM 206 N LEU A 14 -18.699 7.659 2.830 1.00 0.00 N ATOM 207 CA LEU A 14 -17.982 8.911 2.908 1.00 0.00 C ATOM 208 C LEU A 14 -18.948 10.069 2.740 1.00 0.00 C ATOM 209 O LEU A 14 -19.762 10.094 1.813 1.00 0.00 O ATOM 210 CB LEU A 14 -16.899 8.994 1.842 1.00 0.00 C ATOM 211 CG LEU A 14 -15.779 7.965 1.960 1.00 0.00 C ATOM 212 CD1 LEU A 14 -14.771 8.161 0.842 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.097 8.063 3.318 1.00 0.00 C ATOM 0 H LEU A 14 -18.713 7.235 1.902 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.505 8.966 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.368 8.884 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.458 9.990 1.874 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.212 6.969 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.976 7.422 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.267 8.040 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.345 9.162 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.302 7.320 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.673 9.060 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.827 7.879 4.106 1.00 0.00 H new ATOM 225 N SER A 15 -18.848 11.017 3.639 1.00 0.00 N ATOM 226 CA SER A 15 -19.682 12.202 3.602 1.00 0.00 C ATOM 227 C SER A 15 -18.958 13.290 2.819 1.00 0.00 C ATOM 228 O SER A 15 -17.761 13.178 2.558 1.00 0.00 O ATOM 229 CB SER A 15 -19.989 12.677 5.032 1.00 0.00 C ATOM 230 OG SER A 15 -20.886 13.777 5.030 1.00 0.00 O ATOM 0 H SER A 15 -18.189 10.993 4.417 1.00 0.00 H new ATOM 0 HA SER A 15 -20.628 11.973 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.419 11.856 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 15 -19.062 12.962 5.529 1.00 0.00 H new ATOM 0 HG SER A 15 -21.064 14.056 5.953 1.00 0.00 H new ATOM 236 N ARG A 16 -19.676 14.342 2.452 1.00 0.00 N ATOM 237 CA ARG A 16 -19.079 15.455 1.723 1.00 0.00 C ATOM 238 C ARG A 16 -18.242 16.296 2.678 1.00 0.00 C ATOM 239 O ARG A 16 -17.497 17.183 2.262 1.00 0.00 O ATOM 240 CB ARG A 16 -20.149 16.323 1.047 1.00 0.00 C ATOM 241 CG ARG A 16 -20.889 15.631 -0.094 1.00 0.00 C ATOM 242 CD ARG A 16 -21.920 14.635 0.413 1.00 0.00 C ATOM 243 NE ARG A 16 -22.969 15.285 1.199 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.840 14.632 1.971 1.00 0.00 C ATOM 245 NH1 ARG A 16 -23.796 13.308 2.071 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.755 15.310 2.648 1.00 0.00 N ATOM 0 H ARG A 16 -20.672 14.449 2.646 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.442 15.049 0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.874 16.636 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.677 17.228 0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.383 16.381 -0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.171 15.116 -0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.370 14.116 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.425 13.880 1.023 1.00 0.00 H new ATOM 0 HE ARG A 16 -23.039 16.302 1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.092 12.781 1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.466 12.819 2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.792 16.327 2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -25.423 14.815 3.239 1.00 0.00 H new ATOM 260 N ASP A 17 -18.383 15.993 3.965 1.00 0.00 N ATOM 261 CA ASP A 17 -17.602 16.634 5.019 1.00 0.00 C ATOM 262 C ASP A 17 -16.256 15.926 5.168 1.00 0.00 C ATOM 263 O ASP A 17 -15.305 16.463 5.736 1.00 0.00 O ATOM 264 CB ASP A 17 -18.380 16.577 6.340 1.00 0.00 C ATOM 265 CG ASP A 17 -17.786 17.449 7.428 1.00 0.00 C ATOM 266 OD1 ASP A 17 -16.940 16.959 8.199 1.00 0.00 O ATOM 267 OD2 ASP A 17 -18.190 18.627 7.530 1.00 0.00 O ATOM 0 H ASP A 17 -19.043 15.295 4.307 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.423 17.677 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.410 16.885 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.413 15.545 6.689 1.00 0.00 H new ATOM 272 N VAL A 18 -16.186 14.715 4.622 1.00 0.00 N ATOM 273 CA VAL A 18 -14.996 13.884 4.726 1.00 0.00 C ATOM 274 C VAL A 18 -14.012 14.208 3.604 1.00 0.00 C ATOM 275 O VAL A 18 -14.246 13.881 2.439 1.00 0.00 O ATOM 276 CB VAL A 18 -15.362 12.382 4.679 1.00 0.00 C ATOM 277 CG1 VAL A 18 -14.115 11.519 4.768 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.333 12.032 5.798 1.00 0.00 C ATOM 0 H VAL A 18 -16.949 14.286 4.098 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.526 14.099 5.685 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.848 12.181 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.397 10.467 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.455 11.746 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.596 11.724 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.578 10.971 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.873 12.253 6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.244 12.621 5.687 1.00 0.00 H new ATOM 288 N THR A 19 -12.918 14.860 3.966 1.00 0.00 N ATOM 289 CA THR A 19 -11.881 15.217 3.010 1.00 0.00 C ATOM 290 C THR A 19 -10.869 14.082 2.854 1.00 0.00 C ATOM 291 O THR A 19 -10.612 13.322 3.794 1.00 0.00 O ATOM 292 CB THR A 19 -11.147 16.508 3.435 1.00 0.00 C ATOM 293 OG1 THR A 19 -10.074 16.789 2.525 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.597 16.391 4.849 1.00 0.00 C ATOM 0 H THR A 19 -12.724 15.155 4.923 1.00 0.00 H new ATOM 0 HA THR A 19 -12.371 15.392 2.052 1.00 0.00 H new ATOM 0 HB THR A 19 -11.869 17.324 3.412 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.616 17.610 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.086 17.315 5.118 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.417 16.213 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.893 15.560 4.898 1.00 0.00 H new ATOM 302 N GLU A 20 -10.294 13.979 1.657 1.00 0.00 N ATOM 303 CA GLU A 20 -9.299 12.955 1.357 1.00 0.00 C ATOM 304 C GLU A 20 -8.064 13.157 2.225 1.00 0.00 C ATOM 305 O GLU A 20 -7.399 12.200 2.608 1.00 0.00 O ATOM 306 CB GLU A 20 -8.901 13.011 -0.121 1.00 0.00 C ATOM 307 CG GLU A 20 -7.977 14.170 -0.457 1.00 0.00 C ATOM 308 CD GLU A 20 -7.685 14.290 -1.935 1.00 0.00 C ATOM 309 OE1 GLU A 20 -8.478 14.944 -2.647 1.00 0.00 O ATOM 310 OE2 GLU A 20 -6.657 13.752 -2.388 1.00 0.00 O ATOM 0 H GLU A 20 -10.504 14.599 0.874 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.735 11.979 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.411 12.076 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.802 13.087 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.427 15.099 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.038 14.046 0.083 1.00 0.00 H new ATOM 317 N ALA A 21 -7.780 14.416 2.546 1.00 0.00 N ATOM 318 CA ALA A 21 -6.607 14.767 3.334 1.00 0.00 C ATOM 319 C ALA A 21 -6.711 14.203 4.742 1.00 0.00 C ATOM 320 O ALA A 21 -5.707 14.022 5.428 1.00 0.00 O ATOM 321 CB ALA A 21 -6.428 16.274 3.378 1.00 0.00 C ATOM 0 H ALA A 21 -8.352 15.214 2.269 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.732 14.327 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.547 16.519 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.301 16.655 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.308 16.732 3.830 1.00 0.00 H new ATOM 327 N LEU A 22 -7.936 13.930 5.163 1.00 0.00 N ATOM 328 CA LEU A 22 -8.189 13.326 6.457 1.00 0.00 C ATOM 329 C LEU A 22 -8.076 11.804 6.339 1.00 0.00 C ATOM 330 O LEU A 22 -7.342 11.168 7.096 1.00 0.00 O ATOM 331 CB LEU A 22 -9.584 13.763 6.949 1.00 0.00 C ATOM 332 CG LEU A 22 -10.000 13.337 8.365 1.00 0.00 C ATOM 333 CD1 LEU A 22 -10.626 11.951 8.356 1.00 0.00 C ATOM 334 CD2 LEU A 22 -8.814 13.392 9.318 1.00 0.00 C ATOM 0 H LEU A 22 -8.777 14.121 4.619 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.451 13.657 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.634 14.851 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.325 13.375 6.249 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.752 14.041 8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.911 11.674 9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.510 11.955 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.906 11.229 7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.133 13.086 10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.032 12.719 8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.426 14.410 9.358 1.00 0.00 H new ATOM 346 N ILE A 23 -8.785 11.239 5.362 1.00 0.00 N ATOM 347 CA ILE A 23 -8.778 9.796 5.119 1.00 0.00 C ATOM 348 C ILE A 23 -7.371 9.292 4.821 1.00 0.00 C ATOM 349 O ILE A 23 -6.847 8.422 5.521 1.00 0.00 O ATOM 350 CB ILE A 23 -9.711 9.424 3.941 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.163 9.731 4.298 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.555 7.960 3.554 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.653 9.019 5.546 1.00 0.00 C ATOM 0 H ILE A 23 -9.377 11.765 4.720 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.141 9.318 6.029 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.425 10.029 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.273 10.806 4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.800 9.452 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.223 7.730 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.525 7.771 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.805 7.329 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.692 9.288 5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.577 7.941 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.042 9.316 6.398 1.00 0.00 H new ATOM 365 N LEU A 24 -6.756 9.868 3.798 1.00 0.00 N ATOM 366 CA LEU A 24 -5.444 9.437 3.342 1.00 0.00 C ATOM 367 C LEU A 24 -4.395 9.591 4.430 1.00 0.00 C ATOM 368 O LEU A 24 -3.452 8.807 4.506 1.00 0.00 O ATOM 369 CB LEU A 24 -5.039 10.214 2.087 1.00 0.00 C ATOM 370 CG LEU A 24 -5.829 9.837 0.838 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.281 10.563 -0.379 1.00 0.00 C ATOM 372 CD2 LEU A 24 -5.801 8.329 0.629 1.00 0.00 C ATOM 0 H LEU A 24 -7.150 10.643 3.264 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.506 8.377 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.166 11.280 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.979 10.048 1.897 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.866 10.144 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.857 10.282 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.356 11.639 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.236 10.290 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.369 8.075 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.770 7.997 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.244 7.834 1.493 1.00 0.00 H new ATOM 384 N GLN A 25 -4.577 10.585 5.282 1.00 0.00 N ATOM 385 CA GLN A 25 -3.641 10.839 6.367 1.00 0.00 C ATOM 386 C GLN A 25 -3.703 9.720 7.398 1.00 0.00 C ATOM 387 O GLN A 25 -2.675 9.192 7.823 1.00 0.00 O ATOM 388 CB GLN A 25 -3.965 12.169 7.035 1.00 0.00 C ATOM 389 CG GLN A 25 -2.932 12.604 8.052 1.00 0.00 C ATOM 390 CD GLN A 25 -3.349 13.858 8.791 1.00 0.00 C ATOM 391 OE1 GLN A 25 -2.968 14.067 9.939 1.00 0.00 O ATOM 392 NE2 GLN A 25 -4.151 14.695 8.144 1.00 0.00 N ATOM 0 H GLN A 25 -5.365 11.231 5.244 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.634 10.880 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.054 12.939 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.936 12.093 7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.769 11.799 8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.981 12.780 7.549 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.445 14.485 7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.473 15.548 8.601 1.00 0.00 H new ATOM 401 N LEU A 26 -4.920 9.355 7.779 1.00 0.00 N ATOM 402 CA LEU A 26 -5.135 8.322 8.780 1.00 0.00 C ATOM 403 C LEU A 26 -4.557 6.986 8.324 1.00 0.00 C ATOM 404 O LEU A 26 -3.950 6.261 9.111 1.00 0.00 O ATOM 405 CB LEU A 26 -6.621 8.184 9.085 1.00 0.00 C ATOM 406 CG LEU A 26 -7.273 9.434 9.671 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.685 9.120 10.107 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.460 9.973 10.839 1.00 0.00 C ATOM 0 H LEU A 26 -5.777 9.763 7.406 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.615 8.619 9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.143 7.916 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.759 7.358 9.783 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.304 10.204 8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.145 10.016 10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.264 8.781 9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.666 8.336 10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.945 10.863 11.239 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.395 9.214 11.618 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.457 10.229 10.497 1.00 0.00 H new ATOM 420 N PHE A 27 -4.735 6.673 7.046 1.00 0.00 N ATOM 421 CA PHE A 27 -4.213 5.434 6.487 1.00 0.00 C ATOM 422 C PHE A 27 -2.695 5.495 6.311 1.00 0.00 C ATOM 423 O PHE A 27 -2.004 4.493 6.498 1.00 0.00 O ATOM 424 CB PHE A 27 -4.895 5.117 5.155 1.00 0.00 C ATOM 425 CG PHE A 27 -6.299 4.602 5.310 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.526 3.285 5.673 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.385 5.430 5.092 1.00 0.00 C ATOM 428 CE1 PHE A 27 -7.811 2.803 5.818 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.675 4.953 5.234 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.888 3.638 5.597 1.00 0.00 C ATOM 0 H PHE A 27 -5.236 7.260 6.379 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.434 4.633 7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.912 6.017 4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.302 4.377 4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.687 2.627 5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.224 6.459 4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.974 1.774 6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.516 5.609 5.061 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.895 3.263 5.708 1.00 0.00 H new ATOM 440 N SER A 28 -2.176 6.673 5.973 1.00 0.00 N ATOM 441 CA SER A 28 -0.735 6.856 5.826 1.00 0.00 C ATOM 442 C SER A 28 -0.031 6.675 7.168 1.00 0.00 C ATOM 443 O SER A 28 1.150 6.330 7.225 1.00 0.00 O ATOM 444 CB SER A 28 -0.420 8.239 5.247 1.00 0.00 C ATOM 445 OG SER A 28 -0.948 8.374 3.936 1.00 0.00 O ATOM 0 H SER A 28 -2.729 7.512 5.796 1.00 0.00 H new ATOM 0 HA SER A 28 -0.367 6.099 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.838 9.011 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.659 8.391 5.226 1.00 0.00 H new ATOM 0 HG SER A 28 -1.925 8.304 3.968 1.00 0.00 H new ATOM 451 N GLN A 29 -0.770 6.911 8.245 1.00 0.00 N ATOM 452 CA GLN A 29 -0.262 6.702 9.591 1.00 0.00 C ATOM 453 C GLN A 29 -0.124 5.206 9.884 1.00 0.00 C ATOM 454 O GLN A 29 0.666 4.799 10.737 1.00 0.00 O ATOM 455 CB GLN A 29 -1.203 7.353 10.608 1.00 0.00 C ATOM 456 CG GLN A 29 -0.703 7.300 12.045 1.00 0.00 C ATOM 457 CD GLN A 29 -1.716 7.846 13.035 1.00 0.00 C ATOM 458 OE1 GLN A 29 -2.926 7.749 12.821 1.00 0.00 O ATOM 459 NE2 GLN A 29 -1.231 8.432 14.121 1.00 0.00 N ATOM 0 H GLN A 29 -1.731 7.250 8.209 1.00 0.00 H new ATOM 0 HA GLN A 29 0.723 7.162 9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.358 8.395 10.327 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.174 6.861 10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.465 6.269 12.305 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.222 7.871 12.125 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.222 8.492 14.261 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.866 8.823 14.817 1.00 0.00 H new ATOM 468 N ILE A 30 -0.885 4.390 9.164 1.00 0.00 N ATOM 469 CA ILE A 30 -0.866 2.950 9.385 1.00 0.00 C ATOM 470 C ILE A 30 0.126 2.258 8.451 1.00 0.00 C ATOM 471 O ILE A 30 1.004 1.524 8.907 1.00 0.00 O ATOM 472 CB ILE A 30 -2.264 2.323 9.189 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.302 3.020 10.074 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.222 0.832 9.499 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.995 2.948 11.557 1.00 0.00 C ATOM 0 H ILE A 30 -1.519 4.699 8.427 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.554 2.799 10.418 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.556 2.458 8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.373 4.067 9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.279 2.571 9.893 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.214 0.403 9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.515 0.341 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.907 0.684 10.532 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.776 3.464 12.116 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.954 1.905 11.870 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.034 3.423 11.753 1.00 0.00 H new ATOM 487 N GLY A 31 0.003 2.503 7.149 1.00 0.00 N ATOM 488 CA GLY A 31 0.858 1.826 6.192 1.00 0.00 C ATOM 489 C GLY A 31 1.224 2.693 5.009 1.00 0.00 C ATOM 490 O GLY A 31 0.780 3.837 4.909 1.00 0.00 O ATOM 0 H GLY A 31 -0.669 3.154 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.770 1.502 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.354 0.928 5.835 1.00 0.00 H new ATOM 494 N PRO A 32 2.053 2.165 4.101 1.00 0.00 N ATOM 495 CA PRO A 32 2.444 2.866 2.878 1.00 0.00 C ATOM 496 C PRO A 32 1.334 2.858 1.826 1.00 0.00 C ATOM 497 O PRO A 32 1.017 1.816 1.244 1.00 0.00 O ATOM 498 CB PRO A 32 3.653 2.071 2.388 1.00 0.00 C ATOM 499 CG PRO A 32 3.454 0.694 2.921 1.00 0.00 C ATOM 500 CD PRO A 32 2.690 0.838 4.210 1.00 0.00 C ATOM 0 HA PRO A 32 2.656 3.920 3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.708 2.068 1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.584 2.504 2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.902 0.079 2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.412 0.202 3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.948 0.047 4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.352 0.783 5.074 1.00 0.00 H new ATOM 508 N CYS A 33 0.749 4.025 1.590 1.00 0.00 N ATOM 509 CA CYS A 33 -0.330 4.169 0.622 1.00 0.00 C ATOM 510 C CYS A 33 0.217 4.133 -0.804 1.00 0.00 C ATOM 511 O CYS A 33 1.168 4.841 -1.134 1.00 0.00 O ATOM 512 CB CYS A 33 -1.077 5.482 0.867 1.00 0.00 C ATOM 513 SG CYS A 33 -1.753 5.642 2.538 1.00 0.00 S ATOM 0 H CYS A 33 1.007 4.893 2.060 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.022 3.336 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.399 6.315 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.891 5.565 0.147 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.366 6.769 3.057 1.00 0.00 H new ATOM 519 N LYS A 34 -0.383 3.293 -1.638 1.00 0.00 N ATOM 520 CA LYS A 34 0.020 3.157 -3.030 1.00 0.00 C ATOM 521 C LYS A 34 -0.747 4.145 -3.897 1.00 0.00 C ATOM 522 O LYS A 34 -0.162 4.918 -4.654 1.00 0.00 O ATOM 523 CB LYS A 34 -0.250 1.728 -3.516 1.00 0.00 C ATOM 524 CG LYS A 34 0.261 1.446 -4.923 1.00 0.00 C ATOM 525 CD LYS A 34 -0.279 0.131 -5.465 1.00 0.00 C ATOM 526 CE LYS A 34 -1.770 0.222 -5.752 1.00 0.00 C ATOM 527 NZ LYS A 34 -2.353 -1.088 -6.154 1.00 0.00 N ATOM 0 H LYS A 34 -1.160 2.689 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 34 1.087 3.368 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.215 1.026 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.324 1.542 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.031 2.260 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.351 1.416 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.254 -0.135 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.093 -0.665 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.286 0.589 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.941 0.951 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.383 -1.068 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.146 -1.267 -7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.938 -1.845 -5.574 1.00 0.00 H new ATOM 541 N ASN A 35 -2.064 4.106 -3.774 1.00 0.00 N ATOM 542 CA ASN A 35 -2.938 4.960 -4.562 1.00 0.00 C ATOM 543 C ASN A 35 -4.318 5.030 -3.933 1.00 0.00 C ATOM 544 O ASN A 35 -4.797 4.058 -3.344 1.00 0.00 O ATOM 545 CB ASN A 35 -3.033 4.448 -6.005 1.00 0.00 C ATOM 546 CG ASN A 35 -4.164 5.087 -6.793 1.00 0.00 C ATOM 547 OD1 ASN A 35 -4.030 6.201 -7.303 1.00 0.00 O ATOM 548 ND2 ASN A 35 -5.269 4.373 -6.935 1.00 0.00 N ATOM 0 H ASN A 35 -2.555 3.486 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.514 5.964 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.089 4.641 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.173 3.367 -5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.047 4.741 -7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.342 3.455 -6.498 1.00 0.00 H new ATOM 555 N CYS A 36 -4.935 6.191 -4.042 1.00 0.00 N ATOM 556 CA CYS A 36 -6.282 6.393 -3.548 1.00 0.00 C ATOM 557 C CYS A 36 -7.252 6.536 -4.706 1.00 0.00 C ATOM 558 O CYS A 36 -7.046 7.343 -5.613 1.00 0.00 O ATOM 559 CB CYS A 36 -6.352 7.639 -2.672 1.00 0.00 C ATOM 560 SG CYS A 36 -8.017 8.042 -2.090 1.00 0.00 S ATOM 0 H CYS A 36 -4.519 7.016 -4.473 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.557 5.523 -2.951 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.701 7.500 -1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.960 8.487 -3.234 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.609 6.958 -1.685 1.00 0.00 H new ATOM 566 N LYS A 37 -8.296 5.738 -4.684 1.00 0.00 N ATOM 567 CA LYS A 37 -9.362 5.869 -5.651 1.00 0.00 C ATOM 568 C LYS A 37 -10.603 6.374 -4.941 1.00 0.00 C ATOM 569 O LYS A 37 -10.998 5.839 -3.908 1.00 0.00 O ATOM 570 CB LYS A 37 -9.647 4.530 -6.311 1.00 0.00 C ATOM 571 CG LYS A 37 -10.206 4.638 -7.721 1.00 0.00 C ATOM 572 CD LYS A 37 -9.185 5.222 -8.685 1.00 0.00 C ATOM 573 CE LYS A 37 -9.739 5.305 -10.096 1.00 0.00 C ATOM 574 NZ LYS A 37 -8.736 5.840 -11.052 1.00 0.00 N ATOM 0 H LYS A 37 -8.429 4.989 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.066 6.574 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.726 3.949 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.354 3.976 -5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.512 3.651 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.098 5.264 -7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.892 6.217 -8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.285 4.606 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.058 4.314 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.623 5.942 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.152 5.881 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.450 6.796 -10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.903 5.218 -11.065 1.00 0.00 H new ATOM 588 N MET A 38 -11.210 7.398 -5.488 1.00 0.00 N ATOM 589 CA MET A 38 -12.355 8.026 -4.847 1.00 0.00 C ATOM 590 C MET A 38 -13.560 8.006 -5.777 1.00 0.00 C ATOM 591 O MET A 38 -13.603 8.721 -6.778 1.00 0.00 O ATOM 592 CB MET A 38 -12.005 9.454 -4.399 1.00 0.00 C ATOM 593 CG MET A 38 -11.422 10.335 -5.497 1.00 0.00 C ATOM 594 SD MET A 38 -10.770 11.897 -4.870 1.00 0.00 S ATOM 595 CE MET A 38 -9.433 11.314 -3.826 1.00 0.00 C ATOM 0 H MET A 38 -10.936 7.820 -6.375 1.00 0.00 H new ATOM 0 HA MET A 38 -12.617 7.457 -3.955 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.905 9.930 -4.008 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.291 9.399 -3.577 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.626 9.793 -6.007 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.193 10.541 -6.239 1.00 0.00 H new ATOM 0 HE1 MET A 38 -8.681 12.097 -3.727 1.00 0.00 H new ATOM 0 HE2 MET A 38 -9.825 11.060 -2.841 1.00 0.00 H new ATOM 0 HE3 MET A 38 -8.980 10.430 -4.275 1.00 0.00 H new ATOM 605 N ILE A 39 -14.525 7.158 -5.454 1.00 0.00 N ATOM 606 CA ILE A 39 -15.681 6.961 -6.314 1.00 0.00 C ATOM 607 C ILE A 39 -16.895 7.695 -5.761 1.00 0.00 C ATOM 608 O ILE A 39 -17.452 7.310 -4.728 1.00 0.00 O ATOM 609 CB ILE A 39 -16.031 5.465 -6.455 1.00 0.00 C ATOM 610 CG1 ILE A 39 -14.768 4.627 -6.689 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.024 5.256 -7.588 1.00 0.00 C ATOM 612 CD1 ILE A 39 -13.988 5.010 -7.930 1.00 0.00 C ATOM 0 H ILE A 39 -14.530 6.596 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.421 7.361 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.490 5.135 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.116 4.723 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.051 3.577 -6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.260 4.195 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.936 5.815 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.588 5.608 -8.523 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.111 4.369 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.620 4.887 -8.809 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.671 6.050 -7.854 1.00 0.00 H new ATOM 624 N MET A 40 -17.294 8.755 -6.443 1.00 0.00 N ATOM 625 CA MET A 40 -18.472 9.508 -6.053 1.00 0.00 C ATOM 626 C MET A 40 -19.728 8.847 -6.608 1.00 0.00 C ATOM 627 O MET A 40 -19.966 8.833 -7.819 1.00 0.00 O ATOM 628 CB MET A 40 -18.376 10.974 -6.510 1.00 0.00 C ATOM 629 CG MET A 40 -18.101 11.172 -8.001 1.00 0.00 C ATOM 630 SD MET A 40 -16.431 10.692 -8.495 1.00 0.00 S ATOM 631 CE MET A 40 -16.488 11.029 -10.256 1.00 0.00 C ATOM 0 H MET A 40 -16.818 9.113 -7.271 1.00 0.00 H new ATOM 0 HA MET A 40 -18.530 9.508 -4.965 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.309 11.479 -6.258 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.585 11.464 -5.942 1.00 0.00 H new ATOM 0 HG2 MET A 40 -18.823 10.591 -8.576 1.00 0.00 H new ATOM 0 HG3 MET A 40 -18.260 12.220 -8.256 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.526 10.782 -10.705 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.269 10.425 -10.717 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.703 12.085 -10.418 1.00 0.00 H new ATOM 641 N ASP A 41 -20.517 8.276 -5.715 1.00 0.00 N ATOM 642 CA ASP A 41 -21.751 7.610 -6.106 1.00 0.00 C ATOM 643 C ASP A 41 -22.899 8.593 -6.077 1.00 0.00 C ATOM 644 O ASP A 41 -23.271 9.109 -5.021 1.00 0.00 O ATOM 645 CB ASP A 41 -22.079 6.449 -5.181 1.00 0.00 C ATOM 646 CG ASP A 41 -23.260 5.631 -5.682 1.00 0.00 C ATOM 647 OD1 ASP A 41 -23.034 4.555 -6.269 1.00 0.00 O ATOM 648 OD2 ASP A 41 -24.420 6.060 -5.497 1.00 0.00 O ATOM 0 H ASP A 41 -20.327 8.259 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 41 -21.607 7.223 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.206 5.803 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.301 6.832 -4.185 1.00 0.00 H new ATOM 653 N THR A 42 -23.429 8.878 -7.239 1.00 0.00 N ATOM 654 CA THR A 42 -24.539 9.790 -7.362 1.00 0.00 C ATOM 655 C THR A 42 -25.849 9.024 -7.567 1.00 0.00 C ATOM 656 O THR A 42 -26.902 9.615 -7.802 1.00 0.00 O ATOM 657 CB THR A 42 -24.272 10.769 -8.515 1.00 0.00 C ATOM 658 OG1 THR A 42 -25.175 11.880 -8.456 1.00 0.00 O ATOM 659 CG2 THR A 42 -24.384 10.081 -9.870 1.00 0.00 C ATOM 0 H THR A 42 -23.105 8.487 -8.124 1.00 0.00 H new ATOM 0 HA THR A 42 -24.641 10.362 -6.440 1.00 0.00 H new ATOM 0 HB THR A 42 -23.251 11.134 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 42 -26.065 11.565 -8.192 1.00 0.00 H new ATOM 0 HG21 THR A 42 -24.189 10.804 -10.662 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.655 9.273 -9.929 1.00 0.00 H new ATOM 0 HG23 THR A 42 -25.388 9.674 -9.989 1.00 0.00 H new ATOM 667 N ALA A 43 -25.773 7.704 -7.454 1.00 0.00 N ATOM 668 CA ALA A 43 -26.914 6.850 -7.736 1.00 0.00 C ATOM 669 C ALA A 43 -27.743 6.610 -6.480 1.00 0.00 C ATOM 670 O ALA A 43 -28.830 7.170 -6.326 1.00 0.00 O ATOM 671 CB ALA A 43 -26.453 5.528 -8.335 1.00 0.00 C ATOM 0 H ALA A 43 -24.931 7.204 -7.169 1.00 0.00 H new ATOM 0 HA ALA A 43 -27.547 7.359 -8.463 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -27.320 4.900 -8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.914 5.717 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -25.795 5.019 -7.631 1.00 0.00 H new ATOM 677 N GLY A 44 -27.219 5.804 -5.568 1.00 0.00 N ATOM 678 CA GLY A 44 -27.970 5.461 -4.376 1.00 0.00 C ATOM 679 C GLY A 44 -27.128 4.754 -3.336 1.00 0.00 C ATOM 680 O GLY A 44 -27.653 4.193 -2.373 1.00 0.00 O ATOM 0 H GLY A 44 -26.292 5.383 -5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -28.389 6.369 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.810 4.823 -4.652 1.00 0.00 H new ATOM 684 N ASN A 45 -25.818 4.782 -3.524 1.00 0.00 N ATOM 685 CA ASN A 45 -24.901 4.153 -2.586 1.00 0.00 C ATOM 686 C ASN A 45 -24.130 5.226 -1.844 1.00 0.00 C ATOM 687 O ASN A 45 -24.013 6.358 -2.317 1.00 0.00 O ATOM 688 CB ASN A 45 -23.909 3.229 -3.308 1.00 0.00 C ATOM 689 CG ASN A 45 -24.585 2.162 -4.146 1.00 0.00 C ATOM 690 OD1 ASN A 45 -24.945 1.094 -3.643 1.00 0.00 O ATOM 691 ND2 ASN A 45 -24.719 2.422 -5.438 1.00 0.00 N ATOM 0 H ASN A 45 -25.365 5.234 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.485 3.552 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -23.264 3.830 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -23.267 2.749 -2.570 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -25.133 1.726 -6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -24.408 3.318 -5.813 1.00 0.00 H new ATOM 698 N ASP A 46 -23.629 4.881 -0.676 1.00 0.00 N ATOM 699 CA ASP A 46 -22.741 5.769 0.051 1.00 0.00 C ATOM 700 C ASP A 46 -21.379 5.793 -0.631 1.00 0.00 C ATOM 701 O ASP A 46 -20.814 4.742 -0.936 1.00 0.00 O ATOM 702 CB ASP A 46 -22.619 5.340 1.518 1.00 0.00 C ATOM 703 CG ASP A 46 -22.455 3.844 1.700 1.00 0.00 C ATOM 704 OD1 ASP A 46 -21.349 3.318 1.474 1.00 0.00 O ATOM 705 OD2 ASP A 46 -23.442 3.190 2.091 1.00 0.00 O ATOM 0 H ASP A 46 -23.820 3.994 -0.209 1.00 0.00 H new ATOM 0 HA ASP A 46 -23.157 6.776 0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -21.766 5.848 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.506 5.669 2.059 1.00 0.00 H new ATOM 710 N PRO A 47 -20.862 7.002 -0.918 1.00 0.00 N ATOM 711 CA PRO A 47 -19.584 7.179 -1.610 1.00 0.00 C ATOM 712 C PRO A 47 -18.470 6.383 -0.954 1.00 0.00 C ATOM 713 O PRO A 47 -18.284 6.440 0.262 1.00 0.00 O ATOM 714 CB PRO A 47 -19.319 8.681 -1.499 1.00 0.00 C ATOM 715 CG PRO A 47 -20.670 9.286 -1.366 1.00 0.00 C ATOM 716 CD PRO A 47 -21.489 8.294 -0.589 1.00 0.00 C ATOM 0 HA PRO A 47 -19.620 6.824 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.694 8.911 -0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.799 9.059 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.620 10.243 -0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.111 9.476 -2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.455 8.496 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.538 8.319 -0.885 1.00 0.00 H new ATOM 724 N TYR A 48 -17.735 5.645 -1.764 1.00 0.00 N ATOM 725 CA TYR A 48 -16.730 4.732 -1.258 1.00 0.00 C ATOM 726 C TYR A 48 -15.366 5.028 -1.860 1.00 0.00 C ATOM 727 O TYR A 48 -15.254 5.529 -2.981 1.00 0.00 O ATOM 728 CB TYR A 48 -17.143 3.278 -1.524 1.00 0.00 C ATOM 729 CG TYR A 48 -17.644 3.017 -2.931 1.00 0.00 C ATOM 730 CD1 TYR A 48 -18.979 3.223 -3.258 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.789 2.560 -3.927 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.448 2.982 -4.533 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.253 2.318 -5.206 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.583 2.531 -5.505 1.00 0.00 C ATOM 735 OH TYR A 48 -19.048 2.294 -6.779 1.00 0.00 O ATOM 0 H TYR A 48 -17.817 5.661 -2.781 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.653 4.876 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.289 2.629 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -17.923 2.999 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.662 3.578 -2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.747 2.392 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.489 3.146 -4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.576 1.963 -5.969 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.310 1.981 -7.344 1.00 0.00 H new ATOM 745 N CYS A 49 -14.334 4.727 -1.095 1.00 0.00 N ATOM 746 CA CYS A 49 -12.972 4.993 -1.502 1.00 0.00 C ATOM 747 C CYS A 49 -12.139 3.720 -1.468 1.00 0.00 C ATOM 748 O CYS A 49 -12.234 2.921 -0.533 1.00 0.00 O ATOM 749 CB CYS A 49 -12.349 6.051 -0.586 1.00 0.00 C ATOM 750 SG CYS A 49 -10.634 6.462 -0.978 1.00 0.00 S ATOM 0 H CYS A 49 -14.418 4.292 -0.176 1.00 0.00 H new ATOM 0 HA CYS A 49 -12.986 5.367 -2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.949 6.959 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.399 5.697 0.444 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.427 6.292 -2.250 1.00 0.00 H new ATOM 756 N PHE A 50 -11.341 3.531 -2.505 1.00 0.00 N ATOM 757 CA PHE A 50 -10.398 2.431 -2.555 1.00 0.00 C ATOM 758 C PHE A 50 -9.030 2.904 -2.097 1.00 0.00 C ATOM 759 O PHE A 50 -8.358 3.663 -2.800 1.00 0.00 O ATOM 760 CB PHE A 50 -10.292 1.867 -3.969 1.00 0.00 C ATOM 761 CG PHE A 50 -11.525 1.148 -4.424 1.00 0.00 C ATOM 762 CD1 PHE A 50 -11.750 -0.164 -4.049 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.460 1.784 -5.224 1.00 0.00 C ATOM 764 CE1 PHE A 50 -12.884 -0.832 -4.466 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.596 1.122 -5.644 1.00 0.00 C ATOM 766 CZ PHE A 50 -13.810 -0.189 -5.264 1.00 0.00 C ATOM 0 H PHE A 50 -11.329 4.132 -3.329 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.757 1.644 -1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.081 2.682 -4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.445 1.183 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.031 -0.672 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.298 2.809 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.047 -1.857 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.317 1.628 -6.269 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.699 -0.709 -5.590 1.00 0.00 H new ATOM 776 N VAL A 51 -8.631 2.480 -0.913 1.00 0.00 N ATOM 777 CA VAL A 51 -7.330 2.843 -0.385 1.00 0.00 C ATOM 778 C VAL A 51 -6.360 1.684 -0.558 1.00 0.00 C ATOM 779 O VAL A 51 -6.440 0.678 0.148 1.00 0.00 O ATOM 780 CB VAL A 51 -7.403 3.247 1.103 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.060 3.779 1.581 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.499 4.277 1.329 1.00 0.00 C ATOM 0 H VAL A 51 -9.188 1.885 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.976 3.708 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.646 2.358 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.133 4.058 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.300 3.007 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.784 4.653 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.532 4.547 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.291 5.166 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.460 3.857 1.031 1.00 0.00 H new ATOM 792 N GLU A 52 -5.464 1.818 -1.519 1.00 0.00 N ATOM 793 CA GLU A 52 -4.521 0.761 -1.837 1.00 0.00 C ATOM 794 C GLU A 52 -3.217 0.949 -1.075 1.00 0.00 C ATOM 795 O GLU A 52 -2.631 2.029 -1.086 1.00 0.00 O ATOM 796 CB GLU A 52 -4.248 0.746 -3.338 1.00 0.00 C ATOM 797 CG GLU A 52 -5.503 0.640 -4.190 1.00 0.00 C ATOM 798 CD GLU A 52 -5.192 0.639 -5.671 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.147 1.731 -6.275 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.966 -0.456 -6.230 1.00 0.00 O ATOM 0 H GLU A 52 -5.369 2.654 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.958 -0.192 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.712 1.655 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.591 -0.092 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.038 -0.274 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.167 1.474 -3.961 1.00 0.00 H new ATOM 807 N PHE A 53 -2.773 -0.106 -0.413 1.00 0.00 N ATOM 808 CA PHE A 53 -1.518 -0.091 0.323 1.00 0.00 C ATOM 809 C PHE A 53 -0.463 -0.918 -0.391 1.00 0.00 C ATOM 810 O PHE A 53 -0.768 -1.707 -1.283 1.00 0.00 O ATOM 811 CB PHE A 53 -1.719 -0.655 1.730 1.00 0.00 C ATOM 812 CG PHE A 53 -2.407 0.281 2.677 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.782 0.429 2.651 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.676 1.005 3.602 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.415 1.284 3.530 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.303 1.863 4.482 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.674 2.002 4.446 1.00 0.00 C ATOM 0 H PHE A 53 -3.270 -0.996 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.182 0.944 0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.300 -1.575 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.747 -0.922 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.366 -0.130 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.602 0.897 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.489 1.391 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.721 2.425 5.198 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.168 2.672 5.134 1.00 0.00 H new ATOM 827 N HIS A 54 0.784 -0.726 0.014 1.00 0.00 N ATOM 828 CA HIS A 54 1.881 -1.560 -0.464 1.00 0.00 C ATOM 829 C HIS A 54 2.079 -2.717 0.495 1.00 0.00 C ATOM 830 O HIS A 54 2.841 -3.642 0.231 1.00 0.00 O ATOM 831 CB HIS A 54 3.197 -0.777 -0.548 1.00 0.00 C ATOM 832 CG HIS A 54 3.240 0.282 -1.605 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.735 0.062 -2.871 1.00 0.00 N ATOM 834 CD2 HIS A 54 2.876 1.585 -1.566 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.676 1.183 -3.564 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.157 2.121 -2.796 1.00 0.00 N ATOM 0 H HIS A 54 1.063 0.000 0.673 1.00 0.00 H new ATOM 0 HA HIS A 54 1.620 -1.912 -1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.387 -0.311 0.419 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.010 -1.481 -0.728 1.00 0.00 H new ATOM 0 HD1 HIS A 54 4.091 -0.828 -3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.445 2.105 -0.723 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.998 1.311 -4.587 1.00 0.00 H new ATOM 845 N GLU A 55 1.371 -2.659 1.609 1.00 0.00 N ATOM 846 CA GLU A 55 1.658 -3.530 2.727 1.00 0.00 C ATOM 847 C GLU A 55 0.367 -4.020 3.390 1.00 0.00 C ATOM 848 O GLU A 55 -0.389 -3.235 3.962 1.00 0.00 O ATOM 849 CB GLU A 55 2.529 -2.752 3.709 1.00 0.00 C ATOM 850 CG GLU A 55 3.668 -3.563 4.278 1.00 0.00 C ATOM 851 CD GLU A 55 3.166 -4.675 5.153 1.00 0.00 C ATOM 852 OE1 GLU A 55 3.443 -5.854 4.855 1.00 0.00 O ATOM 853 OE2 GLU A 55 2.457 -4.365 6.127 1.00 0.00 O ATOM 0 H GLU A 55 0.593 -2.016 1.760 1.00 0.00 H new ATOM 0 HA GLU A 55 2.187 -4.420 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.934 -1.874 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.906 -2.391 4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.263 -3.979 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.327 -2.913 4.855 1.00 0.00 H new ATOM 860 N HIS A 56 0.127 -5.325 3.305 1.00 0.00 N ATOM 861 CA HIS A 56 -1.107 -5.926 3.806 1.00 0.00 C ATOM 862 C HIS A 56 -1.072 -6.105 5.322 1.00 0.00 C ATOM 863 O HIS A 56 -2.113 -6.049 5.978 1.00 0.00 O ATOM 864 CB HIS A 56 -1.356 -7.274 3.116 1.00 0.00 C ATOM 865 CG HIS A 56 -2.620 -7.959 3.549 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.872 -7.583 3.108 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.819 -8.997 4.395 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.783 -8.357 3.665 1.00 0.00 C ATOM 869 NE2 HIS A 56 -4.173 -9.225 4.447 1.00 0.00 N ATOM 0 H HIS A 56 0.777 -5.993 2.890 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.927 -5.247 3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.391 -7.117 2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.511 -7.934 3.315 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -4.063 -6.825 2.453 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.056 -9.544 4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.849 -8.291 3.507 1.00 0.00 H new ATOM 878 N ARG A 57 0.118 -6.312 5.872 1.00 0.00 N ATOM 879 CA ARG A 57 0.275 -6.536 7.308 1.00 0.00 C ATOM 880 C ARG A 57 -0.191 -5.310 8.090 1.00 0.00 C ATOM 881 O ARG A 57 -0.779 -5.425 9.166 1.00 0.00 O ATOM 882 CB ARG A 57 1.740 -6.850 7.619 1.00 0.00 C ATOM 883 CG ARG A 57 2.015 -7.226 9.063 1.00 0.00 C ATOM 884 CD ARG A 57 3.511 -7.309 9.320 1.00 0.00 C ATOM 885 NE ARG A 57 3.821 -7.822 10.651 1.00 0.00 N ATOM 886 CZ ARG A 57 4.596 -7.187 11.531 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.036 -5.961 11.274 1.00 0.00 N ATOM 888 NH2 ARG A 57 4.923 -7.781 12.670 1.00 0.00 N ATOM 0 H ARG A 57 0.992 -6.330 5.346 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.340 -7.384 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.067 -7.668 6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.346 -5.981 7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.567 -6.488 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.548 -8.184 9.290 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.970 -7.953 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.952 -6.319 9.204 1.00 0.00 H new ATOM 0 HE ARG A 57 3.421 -8.720 10.924 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.781 -5.501 10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.629 -5.480 11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.582 -8.721 12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.516 -7.298 13.345 1.00 0.00 H new ATOM 902 N HIS A 58 0.072 -4.135 7.534 1.00 0.00 N ATOM 903 CA HIS A 58 -0.391 -2.888 8.127 1.00 0.00 C ATOM 904 C HIS A 58 -1.840 -2.626 7.736 1.00 0.00 C ATOM 905 O HIS A 58 -2.611 -2.068 8.511 1.00 0.00 O ATOM 906 CB HIS A 58 0.485 -1.715 7.687 1.00 0.00 C ATOM 907 CG HIS A 58 1.855 -1.724 8.288 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.937 -2.314 7.684 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.317 -1.185 9.437 1.00 0.00 C ATOM 910 CE1 HIS A 58 4.010 -2.130 8.426 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.663 -1.449 9.501 1.00 0.00 N ATOM 0 H HIS A 58 0.604 -4.019 6.672 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.323 -2.983 9.211 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.575 -1.729 6.601 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.012 -0.782 7.954 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.914 -2.817 6.797 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.735 -0.646 10.170 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.006 -2.478 8.193 1.00 0.00 H new ATOM 920 N ALA A 59 -2.203 -3.048 6.529 1.00 0.00 N ATOM 921 CA ALA A 59 -3.565 -2.898 6.033 1.00 0.00 C ATOM 922 C ALA A 59 -4.553 -3.619 6.945 1.00 0.00 C ATOM 923 O ALA A 59 -5.684 -3.175 7.133 1.00 0.00 O ATOM 924 CB ALA A 59 -3.658 -3.432 4.613 1.00 0.00 C ATOM 0 H ALA A 59 -1.567 -3.500 5.872 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.823 -1.839 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.678 -3.317 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.977 -2.875 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.385 -4.487 4.603 1.00 0.00 H new ATOM 930 N ALA A 60 -4.100 -4.731 7.517 1.00 0.00 N ATOM 931 CA ALA A 60 -4.885 -5.488 8.485 1.00 0.00 C ATOM 932 C ALA A 60 -5.277 -4.611 9.669 1.00 0.00 C ATOM 933 O ALA A 60 -6.442 -4.577 10.077 1.00 0.00 O ATOM 934 CB ALA A 60 -4.084 -6.686 8.969 1.00 0.00 C ATOM 0 H ALA A 60 -3.182 -5.131 7.323 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.797 -5.834 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.673 -7.250 9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.840 -7.327 8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.164 -6.342 9.441 1.00 0.00 H new ATOM 940 N ALA A 61 -4.294 -3.898 10.206 1.00 0.00 N ATOM 941 CA ALA A 61 -4.514 -3.007 11.338 1.00 0.00 C ATOM 942 C ALA A 61 -5.384 -1.826 10.929 1.00 0.00 C ATOM 943 O ALA A 61 -6.263 -1.400 11.677 1.00 0.00 O ATOM 944 CB ALA A 61 -3.180 -2.524 11.895 1.00 0.00 C ATOM 0 H ALA A 61 -3.330 -3.921 9.872 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.036 -3.559 12.119 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.358 -1.859 12.740 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.592 -3.380 12.225 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.635 -1.987 11.119 1.00 0.00 H new ATOM 950 N ALA A 62 -5.141 -1.315 9.728 1.00 0.00 N ATOM 951 CA ALA A 62 -5.912 -0.197 9.195 1.00 0.00 C ATOM 952 C ALA A 62 -7.396 -0.535 9.133 1.00 0.00 C ATOM 953 O ALA A 62 -8.245 0.283 9.484 1.00 0.00 O ATOM 954 CB ALA A 62 -5.404 0.185 7.815 1.00 0.00 C ATOM 0 H ALA A 62 -4.413 -1.659 9.102 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.784 0.651 9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.989 1.020 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.356 0.476 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.502 -0.667 7.142 1.00 0.00 H new ATOM 960 N LEU A 63 -7.700 -1.752 8.694 1.00 0.00 N ATOM 961 CA LEU A 63 -9.079 -2.221 8.610 1.00 0.00 C ATOM 962 C LEU A 63 -9.762 -2.152 9.975 1.00 0.00 C ATOM 963 O LEU A 63 -10.807 -1.522 10.129 1.00 0.00 O ATOM 964 CB LEU A 63 -9.118 -3.664 8.105 1.00 0.00 C ATOM 965 CG LEU A 63 -10.519 -4.238 7.893 1.00 0.00 C ATOM 966 CD1 LEU A 63 -11.028 -3.918 6.501 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.525 -5.734 8.138 1.00 0.00 C ATOM 0 H LEU A 63 -7.006 -2.435 8.389 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.610 -1.573 7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.574 -3.718 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.587 -4.296 8.816 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.191 -3.771 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.026 -4.337 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.068 -2.837 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.356 -4.350 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.531 -6.124 7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.836 -6.219 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.212 -5.936 9.162 1.00 0.00 H new ATOM 979 N ALA A 64 -9.146 -2.791 10.961 1.00 0.00 N ATOM 980 CA ALA A 64 -9.744 -2.930 12.284 1.00 0.00 C ATOM 981 C ALA A 64 -9.819 -1.594 13.020 1.00 0.00 C ATOM 982 O ALA A 64 -10.821 -1.292 13.671 1.00 0.00 O ATOM 983 CB ALA A 64 -8.960 -3.943 13.106 1.00 0.00 C ATOM 0 H ALA A 64 -8.227 -3.224 10.869 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.766 -3.285 12.150 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.414 -4.040 14.092 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.975 -4.910 12.603 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.929 -3.605 13.213 1.00 0.00 H new ATOM 989 N ALA A 65 -8.766 -0.796 12.907 1.00 0.00 N ATOM 990 CA ALA A 65 -8.689 0.465 13.627 1.00 0.00 C ATOM 991 C ALA A 65 -9.603 1.521 13.015 1.00 0.00 C ATOM 992 O ALA A 65 -10.167 2.352 13.729 1.00 0.00 O ATOM 993 CB ALA A 65 -7.251 0.963 13.662 1.00 0.00 C ATOM 0 H ALA A 65 -7.955 -1.000 12.324 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.030 0.287 14.647 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.206 1.908 14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.623 0.227 14.164 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.892 1.111 12.643 1.00 0.00 H new ATOM 999 N MET A 66 -9.764 1.480 11.698 1.00 0.00 N ATOM 1000 CA MET A 66 -10.534 2.503 11.001 1.00 0.00 C ATOM 1001 C MET A 66 -12.021 2.166 10.978 1.00 0.00 C ATOM 1002 O MET A 66 -12.859 3.041 11.178 1.00 0.00 O ATOM 1003 CB MET A 66 -10.028 2.657 9.568 1.00 0.00 C ATOM 1004 CG MET A 66 -10.514 3.919 8.876 1.00 0.00 C ATOM 1005 SD MET A 66 -9.701 5.399 9.505 1.00 0.00 S ATOM 1006 CE MET A 66 -7.990 5.010 9.129 1.00 0.00 C ATOM 0 H MET A 66 -9.375 0.755 11.095 1.00 0.00 H new ATOM 0 HA MET A 66 -10.402 3.440 11.542 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.938 2.655 9.576 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.344 1.791 8.986 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.334 3.836 7.804 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.591 4.013 9.012 1.00 0.00 H new ATOM 0 HE1 MET A 66 -7.420 4.941 10.056 1.00 0.00 H new ATOM 0 HE2 MET A 66 -7.941 4.058 8.601 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.568 5.795 8.501 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.348 0.899 10.755 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.747 0.493 10.627 1.00 0.00 C ATOM 1018 C ASN A 67 -14.452 0.580 11.971 1.00 0.00 C ATOM 1019 O ASN A 67 -13.908 0.158 12.991 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.861 -0.933 10.078 1.00 0.00 C ATOM 1021 CG ASN A 67 -15.300 -1.331 9.801 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -16.129 -0.494 9.443 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.607 -2.608 9.961 1.00 0.00 N ATOM 0 H ASN A 67 -11.673 0.140 10.659 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.226 1.175 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.281 -1.013 9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.425 -1.631 10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.559 -2.929 9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.892 -3.271 10.259 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.650 1.144 11.974 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.409 1.243 13.201 1.00 0.00 C ATOM 1032 C GLY A 68 -15.942 2.380 14.079 1.00 0.00 C ATOM 1033 O GLY A 68 -16.312 2.460 15.250 1.00 0.00 O ATOM 0 H GLY A 68 -16.109 1.534 11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.463 1.382 12.962 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.328 0.306 13.752 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.095 3.241 13.531 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.576 4.364 14.289 1.00 0.00 C ATOM 1039 C ARG A 69 -15.334 5.634 13.938 1.00 0.00 C ATOM 1040 O ARG A 69 -15.472 5.985 12.768 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.075 4.542 14.035 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.462 5.674 14.845 1.00 0.00 C ATOM 1043 CD ARG A 69 -10.946 5.604 14.875 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.341 5.832 13.564 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.062 6.165 13.394 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.263 6.289 14.445 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.568 6.358 12.180 1.00 0.00 N ATOM 0 H ARG A 69 -14.756 3.182 12.571 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.718 4.159 15.350 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.559 3.612 14.274 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.912 4.733 12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.771 6.630 14.422 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.846 5.638 15.865 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.567 6.345 15.579 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.640 4.626 15.246 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.928 5.731 12.736 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.627 6.129 15.384 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.284 6.544 14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.168 6.252 11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.587 6.613 12.063 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.836 6.304 14.962 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.571 7.547 14.787 1.00 0.00 C ATOM 1063 C LYS A 70 -15.671 8.638 14.206 1.00 0.00 C ATOM 1064 O LYS A 70 -14.733 9.110 14.853 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.167 7.986 16.125 1.00 0.00 C ATOM 1066 CG LYS A 70 -16.163 8.000 17.267 1.00 0.00 C ATOM 1067 CD LYS A 70 -16.801 8.474 18.556 1.00 0.00 C ATOM 1068 CE LYS A 70 -17.427 9.846 18.387 1.00 0.00 C ATOM 1069 NZ LYS A 70 -18.001 10.352 19.661 1.00 0.00 N ATOM 0 H LYS A 70 -15.747 6.004 15.933 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.382 7.379 14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.591 8.984 16.014 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.988 7.318 16.383 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.755 6.999 17.407 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.328 8.652 17.011 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.562 7.761 18.872 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.050 8.509 19.345 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.675 10.546 18.024 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.210 9.798 17.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.419 11.291 19.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.737 9.697 19.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.250 10.422 20.377 1.00 0.00 H new ATOM 1083 N ILE A 71 -15.969 9.028 12.978 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.165 10.004 12.252 1.00 0.00 C ATOM 1085 C ILE A 71 -16.072 11.017 11.567 1.00 0.00 C ATOM 1086 O ILE A 71 -16.979 10.633 10.826 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.267 9.319 11.192 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.288 8.347 11.863 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.508 10.357 10.374 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.439 7.563 10.887 1.00 0.00 C ATOM 0 H ILE A 71 -16.772 8.680 12.455 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.522 10.509 12.973 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.909 8.754 10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.633 8.908 12.530 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.851 7.649 12.482 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.884 9.853 9.636 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.218 11.009 9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.879 10.952 11.036 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.773 6.898 11.437 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.084 6.973 10.236 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.847 8.252 10.284 1.00 0.00 H new ATOM 1102 N MET A 72 -15.839 12.302 11.836 1.00 0.00 N ATOM 1103 CA MET A 72 -16.661 13.380 11.276 1.00 0.00 C ATOM 1104 C MET A 72 -18.124 13.217 11.682 1.00 0.00 C ATOM 1105 O MET A 72 -19.033 13.675 10.985 1.00 0.00 O ATOM 1106 CB MET A 72 -16.528 13.432 9.744 1.00 0.00 C ATOM 1107 CG MET A 72 -15.364 14.281 9.251 1.00 0.00 C ATOM 1108 SD MET A 72 -13.793 13.869 10.036 1.00 0.00 S ATOM 1109 CE MET A 72 -12.753 15.176 9.394 1.00 0.00 C ATOM 0 H MET A 72 -15.084 12.625 12.441 1.00 0.00 H new ATOM 0 HA MET A 72 -16.297 14.324 11.683 1.00 0.00 H new ATOM 0 HB2 MET A 72 -16.410 12.417 9.365 1.00 0.00 H new ATOM 0 HB3 MET A 72 -17.454 13.823 9.322 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.266 14.158 8.172 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.588 15.332 9.433 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.834 15.229 9.977 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.510 14.969 8.352 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.281 16.127 9.462 1.00 0.00 H new ATOM 1119 N GLY A 73 -18.340 12.557 12.820 1.00 0.00 N ATOM 1120 CA GLY A 73 -19.687 12.301 13.299 1.00 0.00 C ATOM 1121 C GLY A 73 -20.428 11.299 12.435 1.00 0.00 C ATOM 1122 O GLY A 73 -21.651 11.175 12.524 1.00 0.00 O ATOM 0 H GLY A 73 -17.600 12.194 13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -19.641 11.930 14.323 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.245 13.237 13.324 1.00 0.00 H new ATOM 1126 N LYS A 74 -19.688 10.583 11.599 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.275 9.623 10.674 1.00 0.00 C ATOM 1128 C LYS A 74 -19.819 8.206 10.985 1.00 0.00 C ATOM 1129 O LYS A 74 -18.808 7.992 11.658 1.00 0.00 O ATOM 1130 CB LYS A 74 -19.893 9.967 9.230 1.00 0.00 C ATOM 1131 CG LYS A 74 -20.497 11.263 8.706 1.00 0.00 C ATOM 1132 CD LYS A 74 -21.953 11.104 8.279 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.905 11.071 9.465 1.00 0.00 C ATOM 1134 NZ LYS A 74 -24.317 10.926 9.030 1.00 0.00 N ATOM 0 H LYS A 74 -18.672 10.650 11.543 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.357 9.678 10.791 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -18.807 10.034 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.204 9.148 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.431 12.028 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -19.910 11.615 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.227 11.927 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.062 10.185 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.640 10.243 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.795 11.987 10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.937 10.907 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -24.578 11.729 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.427 10.040 8.497 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.586 7.253 10.485 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.269 5.840 10.616 1.00 0.00 C ATOM 1150 C GLU A 75 -19.459 5.384 9.405 1.00 0.00 C ATOM 1151 O GLU A 75 -19.983 5.306 8.293 1.00 0.00 O ATOM 1152 CB GLU A 75 -21.569 5.034 10.715 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.376 3.526 10.682 1.00 0.00 C ATOM 1154 CD GLU A 75 -20.777 2.975 11.956 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -21.547 2.632 12.878 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -19.542 2.852 12.032 1.00 0.00 O ATOM 0 H GLU A 75 -21.450 7.437 9.975 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.679 5.678 11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -22.080 5.303 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.225 5.322 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -22.339 3.047 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.731 3.267 9.843 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.188 5.091 9.625 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.303 4.674 8.545 1.00 0.00 C ATOM 1165 C VAL A 76 -17.274 3.158 8.430 1.00 0.00 C ATOM 1166 O VAL A 76 -17.385 2.446 9.429 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.863 5.184 8.758 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.834 6.701 8.844 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.263 4.561 10.002 1.00 0.00 C ATOM 0 H VAL A 76 -17.744 5.134 10.542 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.698 5.108 7.627 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.261 4.886 7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.808 7.037 8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.223 7.125 7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.450 7.030 9.681 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.247 4.930 10.140 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.867 4.827 10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.244 3.477 9.893 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.122 2.662 7.216 1.00 0.00 N ATOM 1180 CA LYS A 77 -17.083 1.227 6.989 1.00 0.00 C ATOM 1181 C LYS A 77 -15.875 0.846 6.159 1.00 0.00 C ATOM 1182 O LYS A 77 -15.709 1.322 5.041 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.360 0.767 6.293 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.620 1.071 7.081 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.842 0.474 6.403 1.00 0.00 C ATOM 1186 CE LYS A 77 -22.104 0.673 7.227 1.00 0.00 C ATOM 1187 NZ LYS A 77 -22.506 2.100 7.306 1.00 0.00 N ATOM 0 H LYS A 77 -17.024 3.229 6.374 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.007 0.731 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.426 1.248 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.302 -0.307 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.528 0.671 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.743 2.150 7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.973 0.932 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.681 -0.591 6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.916 0.093 6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.943 0.287 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.398 2.181 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.765 2.643 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.637 2.477 6.346 1.00 0.00 H new ATOM 1201 N VAL A 78 -15.031 -0.006 6.713 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.837 -0.455 6.018 1.00 0.00 C ATOM 1203 C VAL A 78 -13.925 -1.945 5.743 1.00 0.00 C ATOM 1204 O VAL A 78 -13.985 -2.753 6.668 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.551 -0.172 6.822 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.318 -0.443 5.977 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.541 1.259 7.331 1.00 0.00 C ATOM 0 H VAL A 78 -15.151 -0.402 7.645 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.784 0.104 5.084 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.533 -0.843 7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.423 -0.237 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.314 -1.487 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.331 0.200 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.626 1.438 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.587 1.946 6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.403 1.421 7.977 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.948 -2.297 4.473 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.994 -3.690 4.063 1.00 0.00 C ATOM 1219 C ASN A 79 -12.730 -4.038 3.296 1.00 0.00 C ATOM 1220 O ASN A 79 -12.162 -3.189 2.614 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.217 -3.956 3.175 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.533 -3.610 3.851 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -17.147 -4.448 4.512 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.975 -2.371 3.686 1.00 0.00 N ATOM 0 H ASN A 79 -13.936 -1.632 3.699 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.069 -4.310 4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.124 -3.376 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.228 -5.008 2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.854 -2.082 4.115 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -16.436 -1.707 3.131 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.280 -5.272 3.419 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.144 -5.736 2.642 1.00 0.00 C ATOM 1233 C TRP A 80 -11.623 -6.253 1.290 1.00 0.00 C ATOM 1234 O TRP A 80 -12.170 -7.350 1.181 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.329 -6.790 3.415 1.00 0.00 C ATOM 1236 CG TRP A 80 -11.146 -7.800 4.170 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.974 -7.554 5.224 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -11.176 -9.219 3.960 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -12.542 -8.722 5.663 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -12.062 -9.760 4.909 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -10.543 -10.082 3.061 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -12.339 -11.123 4.980 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -10.817 -11.435 3.134 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -11.704 -11.943 4.088 1.00 0.00 C ATOM 0 H TRP A 80 -12.681 -5.969 4.046 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.469 -4.899 2.464 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -9.687 -7.319 2.710 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.674 -6.276 4.119 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.156 -6.579 5.652 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -13.213 -8.805 6.427 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -9.853 -9.699 2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -13.029 -11.518 5.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -10.338 -12.111 2.442 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -11.892 -13.006 4.121 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.428 -5.428 0.266 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.990 -5.681 -1.057 1.00 0.00 C ATOM 1257 C ALA A 81 -11.302 -6.845 -1.754 1.00 0.00 C ATOM 1258 O ALA A 81 -10.258 -6.679 -2.393 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.916 -4.423 -1.913 1.00 0.00 C ATOM 0 H ALA A 81 -10.880 -4.570 0.328 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.036 -5.957 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.339 -4.627 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.481 -3.623 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.875 -4.117 -2.022 1.00 0.00 H new ATOM 1265 N THR A 82 -11.886 -8.022 -1.612 1.00 0.00 N ATOM 1266 CA THR A 82 -11.418 -9.205 -2.306 1.00 0.00 C ATOM 1267 C THR A 82 -11.989 -9.266 -3.722 1.00 0.00 C ATOM 1268 O THR A 82 -12.353 -8.241 -4.304 1.00 0.00 O ATOM 1269 CB THR A 82 -11.829 -10.476 -1.543 1.00 0.00 C ATOM 1270 OG1 THR A 82 -13.203 -10.379 -1.140 1.00 0.00 O ATOM 1271 CG2 THR A 82 -10.955 -10.690 -0.321 1.00 0.00 C ATOM 0 H THR A 82 -12.696 -8.183 -1.013 1.00 0.00 H new ATOM 0 HA THR A 82 -10.331 -9.149 -2.360 1.00 0.00 H new ATOM 0 HB THR A 82 -11.700 -11.328 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.460 -11.191 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.270 -11.596 0.197 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.915 -10.792 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.052 -9.836 0.349 1.00 0.00 H new ATOM 1279 N THR A 83 -12.063 -10.465 -4.274 1.00 0.00 N ATOM 1280 CA THR A 83 -12.662 -10.668 -5.577 1.00 0.00 C ATOM 1281 C THR A 83 -14.176 -10.460 -5.521 1.00 0.00 C ATOM 1282 O THR A 83 -14.866 -11.084 -4.711 1.00 0.00 O ATOM 1283 CB THR A 83 -12.349 -12.081 -6.089 1.00 0.00 C ATOM 1284 OG1 THR A 83 -12.253 -12.977 -4.972 1.00 0.00 O ATOM 1285 CG2 THR A 83 -11.049 -12.095 -6.881 1.00 0.00 C ATOM 0 H THR A 83 -11.713 -11.316 -3.835 1.00 0.00 H new ATOM 0 HA THR A 83 -12.238 -9.935 -6.263 1.00 0.00 H new ATOM 0 HB THR A 83 -13.152 -12.402 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.005 -12.822 -4.363 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.848 -13.107 -7.233 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.136 -11.424 -7.735 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.230 -11.764 -6.242 1.00 0.00 H new ATOM 1293 N PRO A 84 -14.709 -9.563 -6.365 1.00 0.00 N ATOM 1294 CA PRO A 84 -16.141 -9.264 -6.412 1.00 0.00 C ATOM 1295 C PRO A 84 -16.932 -10.366 -7.109 1.00 0.00 C ATOM 1296 O PRO A 84 -17.368 -10.207 -8.252 1.00 0.00 O ATOM 1297 CB PRO A 84 -16.220 -7.955 -7.219 1.00 0.00 C ATOM 1298 CG PRO A 84 -14.807 -7.523 -7.445 1.00 0.00 C ATOM 1299 CD PRO A 84 -13.966 -8.761 -7.339 1.00 0.00 C ATOM 0 HA PRO A 84 -16.571 -9.183 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.736 -8.111 -8.166 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.778 -7.194 -6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.694 -7.059 -8.425 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.504 -6.782 -6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.871 -9.271 -8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.956 -8.538 -6.996 1.00 0.00 H new ATOM 1307 N SER A 85 -17.112 -11.482 -6.419 1.00 0.00 N ATOM 1308 CA SER A 85 -17.832 -12.613 -6.976 1.00 0.00 C ATOM 1309 C SER A 85 -19.326 -12.321 -7.016 1.00 0.00 C ATOM 1310 O SER A 85 -19.843 -11.593 -6.164 1.00 0.00 O ATOM 1311 CB SER A 85 -17.563 -13.877 -6.156 1.00 0.00 C ATOM 1312 OG SER A 85 -18.222 -14.999 -6.719 1.00 0.00 O ATOM 0 H SER A 85 -16.768 -11.627 -5.470 1.00 0.00 H new ATOM 0 HA SER A 85 -17.479 -12.778 -7.994 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.490 -14.065 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 85 -17.902 -13.728 -5.131 1.00 0.00 H new ATOM 0 HG SER A 85 -18.033 -15.794 -6.178 1.00 0.00 H new ATOM 1318 N SER A 86 -20.004 -12.887 -8.016 1.00 0.00 N ATOM 1319 CA SER A 86 -21.445 -12.707 -8.220 1.00 0.00 C ATOM 1320 C SER A 86 -21.825 -11.228 -8.197 1.00 0.00 C ATOM 1321 O SER A 86 -22.874 -10.835 -7.683 1.00 0.00 O ATOM 1322 CB SER A 86 -22.260 -13.516 -7.197 1.00 0.00 C ATOM 1323 OG SER A 86 -21.889 -13.218 -5.859 1.00 0.00 O ATOM 0 H SER A 86 -19.566 -13.489 -8.714 1.00 0.00 H new ATOM 0 HA SER A 86 -21.691 -13.093 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 86 -23.321 -13.307 -7.333 1.00 0.00 H new ATOM 0 HB3 SER A 86 -22.119 -14.581 -7.383 1.00 0.00 H new ATOM 0 HG SER A 86 -21.413 -12.362 -5.834 1.00 0.00 H new ATOM 1329 N GLN A 87 -20.949 -10.416 -8.761 1.00 0.00 N ATOM 1330 CA GLN A 87 -21.165 -8.987 -8.856 1.00 0.00 C ATOM 1331 C GLN A 87 -20.616 -8.503 -10.191 1.00 0.00 C ATOM 1332 O GLN A 87 -19.648 -7.743 -10.252 1.00 0.00 O ATOM 1333 CB GLN A 87 -20.486 -8.271 -7.685 1.00 0.00 C ATOM 1334 CG GLN A 87 -20.926 -6.826 -7.506 1.00 0.00 C ATOM 1335 CD GLN A 87 -20.283 -6.163 -6.303 1.00 0.00 C ATOM 1336 OE1 GLN A 87 -20.872 -5.281 -5.676 1.00 0.00 O ATOM 1337 NE2 GLN A 87 -19.069 -6.582 -5.971 1.00 0.00 N ATOM 0 H GLN A 87 -20.067 -10.731 -9.166 1.00 0.00 H new ATOM 0 HA GLN A 87 -22.230 -8.762 -8.804 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -20.694 -8.820 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.406 -8.296 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.676 -6.261 -8.404 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -22.010 -6.791 -7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.616 -7.315 -6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.589 -6.171 -5.170 1.00 0.00 H new ATOM 1346 N LYS A 88 -21.238 -8.981 -11.260 1.00 0.00 N ATOM 1347 CA LYS A 88 -20.768 -8.729 -12.614 1.00 0.00 C ATOM 1348 C LYS A 88 -21.098 -7.303 -13.055 1.00 0.00 C ATOM 1349 O LYS A 88 -22.057 -7.066 -13.791 1.00 0.00 O ATOM 1350 CB LYS A 88 -21.387 -9.755 -13.574 1.00 0.00 C ATOM 1351 CG LYS A 88 -20.844 -9.698 -14.994 1.00 0.00 C ATOM 1352 CD LYS A 88 -19.349 -9.967 -15.036 1.00 0.00 C ATOM 1353 CE LYS A 88 -18.841 -10.008 -16.466 1.00 0.00 C ATOM 1354 NZ LYS A 88 -17.362 -10.132 -16.533 1.00 0.00 N ATOM 0 H LYS A 88 -22.081 -9.553 -11.213 1.00 0.00 H new ATOM 0 HA LYS A 88 -19.683 -8.834 -12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -21.219 -10.755 -13.174 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -22.466 -9.601 -13.604 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.363 -10.431 -15.612 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.049 -8.717 -15.423 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.821 -9.191 -14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.133 -10.915 -14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.298 -10.848 -16.988 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.152 -9.102 -16.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.060 -10.156 -17.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.923 -9.317 -16.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.065 -11.009 -16.060 1.00 0.00 H new ATOM 1368 N LYS A 89 -20.294 -6.356 -12.598 1.00 0.00 N ATOM 1369 CA LYS A 89 -20.461 -4.964 -12.981 1.00 0.00 C ATOM 1370 C LYS A 89 -19.802 -4.700 -14.328 1.00 0.00 C ATOM 1371 O LYS A 89 -18.785 -4.011 -14.418 1.00 0.00 O ATOM 1372 CB LYS A 89 -19.877 -4.032 -11.917 1.00 0.00 C ATOM 1373 CG LYS A 89 -20.642 -4.049 -10.604 1.00 0.00 C ATOM 1374 CD LYS A 89 -20.030 -3.089 -9.596 1.00 0.00 C ATOM 1375 CE LYS A 89 -20.863 -3.009 -8.325 1.00 0.00 C ATOM 1376 NZ LYS A 89 -20.258 -2.091 -7.323 1.00 0.00 N ATOM 0 H LYS A 89 -19.517 -6.527 -11.960 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.529 -4.763 -13.066 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.841 -4.315 -11.728 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -19.863 -3.014 -12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.682 -3.777 -10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -20.642 -5.059 -10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.019 -3.414 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.947 -2.097 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.868 -2.667 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.962 -4.005 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.855 -2.064 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.309 -2.431 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.187 -1.135 -7.726 1.00 0.00 H new ATOM 1390 N ASP A 90 -20.377 -5.275 -15.372 1.00 0.00 N ATOM 1391 CA ASP A 90 -19.887 -5.065 -16.726 1.00 0.00 C ATOM 1392 C ASP A 90 -20.499 -3.800 -17.311 1.00 0.00 C ATOM 1393 O ASP A 90 -19.878 -3.105 -18.115 1.00 0.00 O ATOM 1394 CB ASP A 90 -20.222 -6.272 -17.606 1.00 0.00 C ATOM 1395 CG ASP A 90 -19.734 -6.106 -19.030 1.00 0.00 C ATOM 1396 OD1 ASP A 90 -18.550 -6.396 -19.292 1.00 0.00 O ATOM 1397 OD2 ASP A 90 -20.528 -5.685 -19.895 1.00 0.00 O ATOM 0 H ASP A 90 -21.186 -5.893 -15.308 1.00 0.00 H new ATOM 0 HA ASP A 90 -18.804 -4.950 -16.694 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -19.775 -7.167 -17.174 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -21.301 -6.425 -17.611 1.00 0.00 H new ATOM 1402 N THR A 91 -21.714 -3.501 -16.882 1.00 0.00 N ATOM 1403 CA THR A 91 -22.418 -2.313 -17.326 1.00 0.00 C ATOM 1404 C THR A 91 -22.631 -1.369 -16.140 1.00 0.00 C ATOM 1405 O THR A 91 -22.812 -1.822 -15.008 1.00 0.00 O ATOM 1406 CB THR A 91 -23.775 -2.687 -17.971 1.00 0.00 C ATOM 1407 OG1 THR A 91 -24.426 -1.519 -18.484 1.00 0.00 O ATOM 1408 CG2 THR A 91 -24.686 -3.385 -16.968 1.00 0.00 C ATOM 0 H THR A 91 -22.237 -4.073 -16.219 1.00 0.00 H new ATOM 0 HA THR A 91 -21.815 -1.808 -18.081 1.00 0.00 H new ATOM 0 HB THR A 91 -23.573 -3.374 -18.793 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.281 -1.773 -18.890 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.632 -3.636 -17.449 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.206 -4.297 -16.614 1.00 0.00 H new ATOM 0 HG23 THR A 91 -24.873 -2.722 -16.123 1.00 0.00 H new ATOM 1416 N SER A 92 -22.568 -0.068 -16.388 1.00 0.00 N ATOM 1417 CA SER A 92 -22.738 0.922 -15.330 1.00 0.00 C ATOM 1418 C SER A 92 -23.249 2.237 -15.911 1.00 0.00 C ATOM 1419 O SER A 92 -24.438 2.559 -15.707 1.00 0.00 O ATOM 1420 CB SER A 92 -21.415 1.156 -14.591 1.00 0.00 C ATOM 1421 OG SER A 92 -20.869 -0.064 -14.109 1.00 0.00 O ATOM 1422 OXT SER A 92 -22.460 2.931 -16.589 1.00 0.00 O ATOM 0 H SER A 92 -22.400 0.328 -17.313 1.00 0.00 H new ATOM 0 HA SER A 92 -23.471 0.540 -14.620 1.00 0.00 H new ATOM 0 HB2 SER A 92 -20.702 1.636 -15.261 1.00 0.00 H new ATOM 0 HB3 SER A 92 -21.578 1.838 -13.757 1.00 0.00 H new ATOM 0 HG SER A 92 -20.025 0.116 -13.644 1.00 0.00 H new TER 1428 SER A 92