USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 355 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 23 HIS : no HE2:sc= -16.1! C(o=-19!,f=-18!) USER MOD Set 1.2: A 27 THR OG1 : rot 72:sc= -3.04 USER MOD Set 2.1: A 25 SER OG : rot -80:sc= -1.57 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 154:sc= 0.295 (180deg=-0.000839) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.339) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl -151:sc= -11.3! (180deg=-15.4!) USER MOD Single : A 16 GLN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00331 USER MOD Single : A 28 MET CE :methyl -166:sc= -1.01 (180deg=-1.69) USER MOD Single : A 29 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.82) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 36 TYR OH : rot 9:sc= -0.223 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.112) USER MOD Single : A 40 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.031) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.17 K(o=-1.2,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.135 64.524 15.474 1.00 0.00 N ATOM 2 CA GLY A 1 -40.842 65.158 15.857 1.00 0.00 C ATOM 3 C GLY A 1 -40.051 64.204 16.754 1.00 0.00 C ATOM 4 O GLY A 1 -40.322 64.083 17.934 1.00 0.00 O ATOM 0 H1 GLY A 1 -42.673 65.173 14.864 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.949 63.639 14.960 1.00 0.00 H new ATOM 0 H3 GLY A 1 -42.687 64.317 16.331 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.264 65.398 14.964 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.026 66.097 16.380 1.00 0.00 H new ATOM 10 N ARG A 2 -39.076 63.528 16.201 1.00 0.00 N ATOM 11 CA ARG A 2 -38.260 62.579 17.014 1.00 0.00 C ATOM 12 C ARG A 2 -36.987 63.280 17.493 1.00 0.00 C ATOM 13 O ARG A 2 -36.086 63.543 16.718 1.00 0.00 O ATOM 14 CB ARG A 2 -37.884 61.368 16.158 1.00 0.00 C ATOM 15 CG ARG A 2 -37.714 60.139 17.056 1.00 0.00 C ATOM 16 CD ARG A 2 -36.654 59.204 16.464 1.00 0.00 C ATOM 17 NE ARG A 2 -37.320 58.029 15.803 1.00 0.00 N ATOM 18 CZ ARG A 2 -38.190 57.266 16.432 1.00 0.00 C ATOM 19 NH1 ARG A 2 -38.380 57.367 17.726 1.00 0.00 N ATOM 20 NH2 ARG A 2 -38.833 56.348 15.764 1.00 0.00 N ATOM 0 H ARG A 2 -38.810 63.593 15.218 1.00 0.00 H new ATOM 0 HA ARG A 2 -38.839 62.249 17.877 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -38.657 61.182 15.412 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -36.959 61.566 15.616 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -37.420 60.448 18.059 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -38.664 59.613 17.151 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -36.045 59.743 15.739 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -35.982 58.858 17.250 1.00 0.00 H new ATOM 0 HE ARG A 2 -37.090 57.815 14.833 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -37.848 58.048 18.268 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -39.060 56.765 18.190 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -38.659 56.228 14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -39.509 55.751 16.240 1.00 0.00 H new ATOM 34 N LYS A 3 -36.910 63.585 18.763 1.00 0.00 N ATOM 35 CA LYS A 3 -35.699 64.270 19.303 1.00 0.00 C ATOM 36 C LYS A 3 -34.525 63.289 19.323 1.00 0.00 C ATOM 37 O LYS A 3 -34.708 62.089 19.246 1.00 0.00 O ATOM 38 CB LYS A 3 -35.980 64.759 20.725 1.00 0.00 C ATOM 39 CG LYS A 3 -36.932 65.956 20.676 1.00 0.00 C ATOM 40 CD LYS A 3 -36.164 67.199 20.220 1.00 0.00 C ATOM 41 CE LYS A 3 -37.092 68.103 19.407 1.00 0.00 C ATOM 42 NZ LYS A 3 -38.310 68.415 20.208 1.00 0.00 N ATOM 0 H LYS A 3 -37.637 63.388 19.451 1.00 0.00 H new ATOM 0 HA LYS A 3 -35.450 65.121 18.669 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -36.419 63.956 21.317 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -35.048 65.042 21.214 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -37.755 65.752 19.991 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -37.370 66.126 21.659 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -35.779 67.739 21.085 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -35.304 66.907 19.618 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -36.575 69.024 19.138 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -37.372 67.611 18.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -38.814 69.216 19.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -38.934 67.584 20.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -38.033 68.664 21.179 1.00 0.00 H new ATOM 56 N ARG A 4 -33.321 63.794 19.425 1.00 0.00 N ATOM 57 CA ARG A 4 -32.128 62.900 19.451 1.00 0.00 C ATOM 58 C ARG A 4 -31.800 62.527 20.898 1.00 0.00 C ATOM 59 O ARG A 4 -32.548 62.830 21.809 1.00 0.00 O ATOM 60 CB ARG A 4 -30.935 63.628 18.828 1.00 0.00 C ATOM 61 CG ARG A 4 -31.228 63.926 17.357 1.00 0.00 C ATOM 62 CD ARG A 4 -31.306 62.615 16.572 1.00 0.00 C ATOM 63 NE ARG A 4 -30.065 61.815 16.812 1.00 0.00 N ATOM 64 CZ ARG A 4 -29.997 60.537 16.490 1.00 0.00 C ATOM 65 NH1 ARG A 4 -31.015 59.910 15.945 1.00 0.00 N ATOM 66 NH2 ARG A 4 -28.893 59.881 16.718 1.00 0.00 N ATOM 0 H ARG A 4 -33.115 64.791 19.491 1.00 0.00 H new ATOM 0 HA ARG A 4 -32.339 61.994 18.883 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -30.741 64.556 19.366 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -30.037 63.016 18.914 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -32.167 64.472 17.266 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -30.447 64.564 16.942 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -32.183 62.046 16.880 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -31.418 62.822 15.508 1.00 0.00 H new ATOM 0 HE ARG A 4 -29.254 62.267 17.234 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -31.884 60.412 15.761 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -30.936 58.922 15.706 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -28.095 60.356 17.140 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -28.827 58.893 16.474 1.00 0.00 H new ATOM 80 N LYS A 5 -30.688 61.872 21.114 1.00 0.00 N ATOM 81 CA LYS A 5 -30.303 61.475 22.500 1.00 0.00 C ATOM 82 C LYS A 5 -29.235 62.434 23.029 1.00 0.00 C ATOM 83 O LYS A 5 -28.691 63.237 22.294 1.00 0.00 O ATOM 84 CB LYS A 5 -29.745 60.050 22.484 1.00 0.00 C ATOM 85 CG LYS A 5 -30.865 59.066 22.144 1.00 0.00 C ATOM 86 CD LYS A 5 -31.708 58.799 23.393 1.00 0.00 C ATOM 87 CE LYS A 5 -30.961 57.836 24.318 1.00 0.00 C ATOM 88 NZ LYS A 5 -31.944 57.006 25.070 1.00 0.00 N ATOM 0 H LYS A 5 -30.029 61.595 20.387 1.00 0.00 H new ATOM 0 HA LYS A 5 -31.180 61.517 23.146 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -28.942 59.971 21.751 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -29.315 59.806 23.455 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -31.491 59.472 21.350 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -30.443 58.133 21.771 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -31.912 59.735 23.913 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -32.671 58.375 23.110 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -30.299 57.196 23.735 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -30.334 58.395 25.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -31.436 56.351 25.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -32.559 57.624 25.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -32.524 56.462 24.400 1.00 0.00 H new ATOM 102 N ILE A 6 -28.933 62.354 24.300 1.00 0.00 N ATOM 103 CA ILE A 6 -27.901 63.256 24.890 1.00 0.00 C ATOM 104 C ILE A 6 -27.094 62.490 25.942 1.00 0.00 C ATOM 105 O ILE A 6 -27.647 61.799 26.776 1.00 0.00 O ATOM 106 CB ILE A 6 -28.585 64.461 25.543 1.00 0.00 C ATOM 107 CG1 ILE A 6 -29.611 63.976 26.574 1.00 0.00 C ATOM 108 CG2 ILE A 6 -29.294 65.287 24.469 1.00 0.00 C ATOM 109 CD1 ILE A 6 -28.972 63.955 27.964 1.00 0.00 C ATOM 0 H ILE A 6 -29.359 61.700 24.956 1.00 0.00 H new ATOM 0 HA ILE A 6 -27.232 63.604 24.104 1.00 0.00 H new ATOM 0 HB ILE A 6 -27.835 65.076 26.041 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -30.481 64.633 26.573 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -29.964 62.979 26.310 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -29.781 66.145 24.932 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -28.565 65.635 23.737 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -30.042 64.670 23.971 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -29.703 63.610 28.695 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -28.116 63.280 27.961 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -28.641 64.960 28.228 1.00 0.00 H new ATOM 121 N ASP A 7 -25.791 62.610 25.905 1.00 0.00 N ATOM 122 CA ASP A 7 -24.939 61.892 26.898 1.00 0.00 C ATOM 123 C ASP A 7 -24.442 62.881 27.955 1.00 0.00 C ATOM 124 O ASP A 7 -23.539 63.659 27.713 1.00 0.00 O ATOM 125 CB ASP A 7 -23.743 61.264 26.181 1.00 0.00 C ATOM 126 CG ASP A 7 -23.011 60.319 27.136 1.00 0.00 C ATOM 127 OD1 ASP A 7 -22.803 60.703 28.275 1.00 0.00 O ATOM 128 OD2 ASP A 7 -22.669 59.227 26.712 1.00 0.00 O ATOM 0 H ASP A 7 -25.280 63.176 25.228 1.00 0.00 H new ATOM 0 HA ASP A 7 -25.524 61.110 27.382 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -24.080 60.718 25.300 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -23.065 62.043 25.833 1.00 0.00 H new ATOM 133 N ARG A 8 -25.034 62.859 29.122 1.00 0.00 N ATOM 134 CA ARG A 8 -24.617 63.791 30.203 1.00 0.00 C ATOM 135 C ARG A 8 -23.157 63.523 30.587 1.00 0.00 C ATOM 136 O ARG A 8 -22.408 64.435 30.885 1.00 0.00 O ATOM 137 CB ARG A 8 -25.521 63.579 31.425 1.00 0.00 C ATOM 138 CG ARG A 8 -26.019 64.930 31.944 1.00 0.00 C ATOM 139 CD ARG A 8 -26.594 64.756 33.350 1.00 0.00 C ATOM 140 NE ARG A 8 -27.873 63.984 33.273 1.00 0.00 N ATOM 141 CZ ARG A 8 -28.422 63.453 34.348 1.00 0.00 C ATOM 142 NH1 ARG A 8 -27.873 63.577 35.534 1.00 0.00 N ATOM 143 NH2 ARG A 8 -29.539 62.788 34.229 1.00 0.00 N ATOM 0 H ARG A 8 -25.795 62.227 29.371 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.708 64.819 29.853 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -26.368 62.948 31.157 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.971 63.058 32.209 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.200 65.649 31.961 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.781 65.330 31.275 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.879 64.233 33.985 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.772 65.730 33.805 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.331 63.866 32.369 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.000 64.094 35.640 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.319 63.156 36.349 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -29.976 62.684 33.313 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.975 62.372 35.052 1.00 0.00 H new ATOM 157 N ASP A 9 -22.754 62.278 30.590 1.00 0.00 N ATOM 158 CA ASP A 9 -21.348 61.935 30.962 1.00 0.00 C ATOM 159 C ASP A 9 -20.366 62.618 30.003 1.00 0.00 C ATOM 160 O ASP A 9 -19.230 62.878 30.352 1.00 0.00 O ATOM 161 CB ASP A 9 -21.160 60.418 30.887 1.00 0.00 C ATOM 162 CG ASP A 9 -19.889 60.022 31.641 1.00 0.00 C ATOM 163 OD1 ASP A 9 -19.899 60.097 32.859 1.00 0.00 O ATOM 164 OD2 ASP A 9 -18.928 59.649 30.988 1.00 0.00 O ATOM 0 H ASP A 9 -23.342 61.480 30.349 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.153 62.282 31.977 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.024 59.912 31.319 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -21.092 60.101 29.846 1.00 0.00 H new ATOM 169 N ALA A 10 -20.793 62.903 28.799 1.00 0.00 N ATOM 170 CA ALA A 10 -19.887 63.562 27.812 1.00 0.00 C ATOM 171 C ALA A 10 -19.476 64.946 28.324 1.00 0.00 C ATOM 172 O ALA A 10 -18.300 65.269 28.393 1.00 0.00 O ATOM 173 CB ALA A 10 -20.615 63.710 26.474 1.00 0.00 C ATOM 0 H ALA A 10 -21.734 62.707 28.457 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.995 62.950 27.679 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.955 64.191 25.752 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.901 62.725 26.104 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.508 64.319 26.611 1.00 0.00 H new ATOM 179 N VAL A 11 -20.431 65.772 28.678 1.00 0.00 N ATOM 180 CA VAL A 11 -20.094 67.140 29.179 1.00 0.00 C ATOM 181 C VAL A 11 -19.213 67.022 30.425 1.00 0.00 C ATOM 182 O VAL A 11 -18.334 67.833 30.656 1.00 0.00 O ATOM 183 CB VAL A 11 -21.378 67.899 29.533 1.00 0.00 C ATOM 184 CG1 VAL A 11 -21.035 69.335 29.961 1.00 0.00 C ATOM 185 CG2 VAL A 11 -22.301 67.937 28.311 1.00 0.00 C ATOM 0 H VAL A 11 -21.428 65.558 28.641 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.560 67.685 28.401 1.00 0.00 H new ATOM 0 HB VAL A 11 -21.880 67.390 30.356 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.952 69.869 30.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.381 69.308 30.833 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.529 69.847 29.143 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -23.214 68.476 28.562 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.795 68.443 27.488 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -22.551 66.919 28.012 1.00 0.00 H new ATOM 195 N LEU A 12 -19.447 66.015 31.222 1.00 0.00 N ATOM 196 CA LEU A 12 -18.633 65.828 32.452 1.00 0.00 C ATOM 197 C LEU A 12 -17.186 65.527 32.061 1.00 0.00 C ATOM 198 O LEU A 12 -16.267 65.902 32.746 1.00 0.00 O ATOM 199 CB LEU A 12 -19.196 64.662 33.266 1.00 0.00 C ATOM 200 CG LEU A 12 -20.344 65.160 34.145 1.00 0.00 C ATOM 201 CD1 LEU A 12 -21.164 63.967 34.639 1.00 0.00 C ATOM 202 CD2 LEU A 12 -19.773 65.917 35.347 1.00 0.00 C ATOM 0 H LEU A 12 -20.171 65.312 31.072 1.00 0.00 H new ATOM 0 HA LEU A 12 -18.667 66.737 33.053 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -19.550 63.876 32.599 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -18.413 64.226 33.886 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.983 65.825 33.565 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -21.982 64.322 35.266 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -21.570 63.426 33.784 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.525 63.302 35.220 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.590 66.273 35.975 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -19.134 65.251 35.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.188 66.767 34.997 1.00 0.00 H new ATOM 214 N ASN A 13 -16.979 64.846 30.967 1.00 0.00 N ATOM 215 CA ASN A 13 -15.585 64.512 30.541 1.00 0.00 C ATOM 216 C ASN A 13 -14.818 65.786 30.159 1.00 0.00 C ATOM 217 O ASN A 13 -13.612 65.856 30.303 1.00 0.00 O ATOM 218 CB ASN A 13 -15.637 63.572 29.335 1.00 0.00 C ATOM 219 CG ASN A 13 -14.227 63.076 29.011 1.00 0.00 C ATOM 220 OD1 ASN A 13 -13.624 63.510 28.049 1.00 0.00 O ATOM 221 ND2 ASN A 13 -13.672 62.178 29.778 1.00 0.00 N ATOM 0 H ASN A 13 -17.714 64.505 30.348 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.070 64.028 31.371 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.291 62.726 29.548 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.058 64.091 28.474 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.732 61.840 29.570 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.178 61.814 30.585 1.00 0.00 H new ATOM 228 N MET A 14 -15.500 66.780 29.653 1.00 0.00 N ATOM 229 CA MET A 14 -14.827 68.031 29.232 1.00 0.00 C ATOM 230 C MET A 14 -14.325 68.834 30.446 1.00 0.00 C ATOM 231 O MET A 14 -13.152 69.123 30.572 1.00 0.00 O ATOM 232 CB MET A 14 -15.838 68.897 28.478 1.00 0.00 C ATOM 233 CG MET A 14 -16.625 68.074 27.435 1.00 0.00 C ATOM 234 SD MET A 14 -17.892 69.103 26.627 1.00 0.00 S ATOM 235 CE MET A 14 -18.612 69.903 28.084 1.00 0.00 C ATOM 0 H MET A 14 -16.510 66.772 29.514 1.00 0.00 H new ATOM 0 HA MET A 14 -13.975 67.768 28.606 1.00 0.00 H new ATOM 0 HB2 MET A 14 -16.533 69.347 29.187 1.00 0.00 H new ATOM 0 HB3 MET A 14 -15.317 69.715 27.980 1.00 0.00 H new ATOM 0 HG2 MET A 14 -15.940 67.677 26.686 1.00 0.00 H new ATOM 0 HG3 MET A 14 -17.098 67.220 27.920 1.00 0.00 H new ATOM 0 HE1 MET A 14 -19.658 70.139 27.890 1.00 0.00 H new ATOM 0 HE2 MET A 14 -18.544 69.231 28.939 1.00 0.00 H new ATOM 0 HE3 MET A 14 -18.067 70.822 28.301 1.00 0.00 H new ATOM 245 N TRP A 15 -15.221 69.243 31.305 1.00 0.00 N ATOM 246 CA TRP A 15 -14.828 70.092 32.484 1.00 0.00 C ATOM 247 C TRP A 15 -14.156 69.292 33.596 1.00 0.00 C ATOM 248 O TRP A 15 -13.213 69.750 34.214 1.00 0.00 O ATOM 249 CB TRP A 15 -16.083 70.732 33.070 1.00 0.00 C ATOM 250 CG TRP A 15 -16.677 71.635 32.068 1.00 0.00 C ATOM 251 CD1 TRP A 15 -17.736 71.334 31.304 1.00 0.00 C ATOM 252 CD2 TRP A 15 -16.263 72.972 31.707 1.00 0.00 C ATOM 253 NE1 TRP A 15 -17.995 72.412 30.472 1.00 0.00 N ATOM 254 CE2 TRP A 15 -17.095 73.446 30.682 1.00 0.00 C ATOM 255 CE3 TRP A 15 -15.243 73.807 32.161 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -16.901 74.716 30.127 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -15.059 75.073 31.613 1.00 0.00 C ATOM 258 CH2 TRP A 15 -15.885 75.522 30.596 1.00 0.00 C ATOM 0 H TRP A 15 -16.216 69.027 31.246 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.116 70.832 32.119 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.800 69.962 33.354 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.835 71.286 33.975 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -18.293 70.409 31.332 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -18.753 72.441 29.790 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -14.587 73.467 32.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.545 75.064 29.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.268 75.709 31.983 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.734 76.503 30.170 1.00 0.00 H new ATOM 269 N GLN A 16 -14.664 68.135 33.890 1.00 0.00 N ATOM 270 CA GLN A 16 -14.101 67.327 35.002 1.00 0.00 C ATOM 271 C GLN A 16 -12.653 66.934 34.699 1.00 0.00 C ATOM 272 O GLN A 16 -11.865 66.721 35.602 1.00 0.00 O ATOM 273 CB GLN A 16 -14.969 66.086 35.195 1.00 0.00 C ATOM 274 CG GLN A 16 -16.440 66.505 35.390 1.00 0.00 C ATOM 275 CD GLN A 16 -16.695 66.790 36.871 1.00 0.00 C ATOM 276 OE1 GLN A 16 -16.459 67.885 37.341 1.00 0.00 O ATOM 277 NE2 GLN A 16 -17.171 65.843 37.633 1.00 0.00 N ATOM 0 H GLN A 16 -15.453 67.709 33.404 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.099 67.915 35.920 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.880 65.430 34.329 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.624 65.520 36.061 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.659 67.391 34.795 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.104 65.714 35.041 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.370 64.923 37.239 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.344 66.023 38.622 1.00 0.00 H new ATOM 286 N GLN A 17 -12.289 66.848 33.443 1.00 0.00 N ATOM 287 CA GLN A 17 -10.883 66.483 33.096 1.00 0.00 C ATOM 288 C GLN A 17 -9.971 67.705 33.268 1.00 0.00 C ATOM 289 O GLN A 17 -8.779 67.570 33.475 1.00 0.00 O ATOM 290 CB GLN A 17 -10.823 65.997 31.648 1.00 0.00 C ATOM 291 CG GLN A 17 -11.516 64.638 31.546 1.00 0.00 C ATOM 292 CD GLN A 17 -10.709 63.592 32.318 1.00 0.00 C ATOM 293 OE1 GLN A 17 -9.510 63.719 32.464 1.00 0.00 O ATOM 294 NE2 GLN A 17 -11.322 62.556 32.823 1.00 0.00 N ATOM 0 H GLN A 17 -12.904 67.014 32.646 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.544 65.687 33.760 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.309 66.717 30.990 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.786 65.916 31.322 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.527 64.703 31.949 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.608 64.343 30.501 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.329 62.449 32.700 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.794 61.853 33.340 1.00 0.00 H new ATOM 303 N GLY A 18 -10.519 68.895 33.184 1.00 0.00 N ATOM 304 CA GLY A 18 -9.684 70.125 33.342 1.00 0.00 C ATOM 305 C GLY A 18 -9.467 70.769 31.972 1.00 0.00 C ATOM 306 O GLY A 18 -8.356 70.851 31.484 1.00 0.00 O ATOM 0 H GLY A 18 -11.510 69.066 33.013 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.176 70.829 34.013 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.725 69.872 33.793 1.00 0.00 H new ATOM 310 N LEU A 19 -10.527 71.207 31.342 1.00 0.00 N ATOM 311 CA LEU A 19 -10.403 71.826 29.993 1.00 0.00 C ATOM 312 C LEU A 19 -10.903 73.263 30.009 1.00 0.00 C ATOM 313 O LEU A 19 -11.209 73.820 31.046 1.00 0.00 O ATOM 314 CB LEU A 19 -11.218 70.996 29.014 1.00 0.00 C ATOM 315 CG LEU A 19 -10.486 69.689 28.757 1.00 0.00 C ATOM 316 CD1 LEU A 19 -11.501 68.570 28.482 1.00 0.00 C ATOM 317 CD2 LEU A 19 -9.542 69.852 27.564 1.00 0.00 C ATOM 0 H LEU A 19 -11.478 71.161 31.709 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.356 71.845 29.692 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.211 70.800 29.420 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.357 71.541 28.080 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.900 69.424 29.637 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.971 67.635 28.298 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.156 68.452 29.345 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.098 68.827 27.607 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.019 68.913 27.383 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.118 70.123 26.679 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.816 70.636 27.779 1.00 0.00 H new ATOM 329 N GLY A 20 -10.964 73.868 28.855 1.00 0.00 N ATOM 330 CA GLY A 20 -11.420 75.293 28.772 1.00 0.00 C ATOM 331 C GLY A 20 -12.212 75.556 27.481 1.00 0.00 C ATOM 332 O GLY A 20 -11.668 75.456 26.412 1.00 0.00 O ATOM 0 H GLY A 20 -10.718 73.440 27.962 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.042 75.528 29.636 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.556 75.956 28.811 1.00 0.00 H new ATOM 336 N ALA A 21 -13.490 75.906 27.620 1.00 0.00 N ATOM 337 CA ALA A 21 -14.433 76.242 26.472 1.00 0.00 C ATOM 338 C ALA A 21 -13.896 75.925 25.066 1.00 0.00 C ATOM 339 O ALA A 21 -14.452 75.107 24.379 1.00 0.00 O ATOM 340 CB ALA A 21 -14.765 77.734 26.533 1.00 0.00 C ATOM 0 H ALA A 21 -13.939 75.975 28.533 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.306 75.604 26.612 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.440 77.990 25.716 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.244 77.961 27.485 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.847 78.315 26.441 1.00 0.00 H new ATOM 346 N SER A 22 -12.851 76.591 24.619 1.00 0.00 N ATOM 347 CA SER A 22 -12.298 76.337 23.240 1.00 0.00 C ATOM 348 C SER A 22 -12.183 74.826 22.966 1.00 0.00 C ATOM 349 O SER A 22 -12.756 74.317 22.022 1.00 0.00 O ATOM 350 CB SER A 22 -10.914 76.976 23.126 1.00 0.00 C ATOM 351 OG SER A 22 -10.993 78.340 23.518 1.00 0.00 O ATOM 0 H SER A 22 -12.354 77.304 25.153 1.00 0.00 H new ATOM 0 HA SER A 22 -12.976 76.774 22.507 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.202 76.445 23.758 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.549 76.901 22.102 1.00 0.00 H new ATOM 0 HG SER A 22 -10.107 78.752 23.448 1.00 0.00 H new ATOM 357 N HIS A 23 -11.458 74.112 23.789 1.00 0.00 N ATOM 358 CA HIS A 23 -11.316 72.640 23.590 1.00 0.00 C ATOM 359 C HIS A 23 -12.548 71.925 24.173 1.00 0.00 C ATOM 360 O HIS A 23 -12.941 70.879 23.701 1.00 0.00 O ATOM 361 CB HIS A 23 -10.038 72.155 24.299 1.00 0.00 C ATOM 362 CG HIS A 23 -9.953 70.649 24.255 1.00 0.00 C ATOM 363 ND1 HIS A 23 -9.000 69.978 23.505 1.00 0.00 N ATOM 364 CD2 HIS A 23 -10.711 69.676 24.859 1.00 0.00 C ATOM 365 CE1 HIS A 23 -9.208 68.659 23.674 1.00 0.00 C ATOM 366 NE2 HIS A 23 -10.240 68.419 24.490 1.00 0.00 N ATOM 0 H HIS A 23 -10.956 74.488 24.594 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.244 72.414 22.526 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -9.161 72.590 23.819 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -10.037 72.496 25.334 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -8.274 70.406 22.930 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.546 69.858 25.520 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.613 67.888 23.207 1.00 0.00 H new ATOM 374 N ILE A 24 -13.140 72.470 25.201 1.00 0.00 N ATOM 375 CA ILE A 24 -14.334 71.809 25.823 1.00 0.00 C ATOM 376 C ILE A 24 -15.485 71.712 24.813 1.00 0.00 C ATOM 377 O ILE A 24 -16.380 70.908 24.963 1.00 0.00 O ATOM 378 CB ILE A 24 -14.779 72.646 27.023 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.642 72.705 28.027 1.00 0.00 C ATOM 380 CG2 ILE A 24 -16.010 72.025 27.706 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.086 73.561 29.200 1.00 0.00 C ATOM 0 H ILE A 24 -12.852 73.344 25.640 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.067 70.800 26.137 1.00 0.00 H new ATOM 0 HB ILE A 24 -15.042 73.644 26.672 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.382 71.702 28.366 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.749 73.127 27.565 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -16.304 72.641 28.556 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -16.833 71.972 26.994 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.766 71.021 28.053 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.283 73.617 29.934 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.326 74.564 28.848 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.969 73.117 29.661 1.00 0.00 H new ATOM 393 N SER A 25 -15.478 72.535 23.807 1.00 0.00 N ATOM 394 CA SER A 25 -16.586 72.512 22.806 1.00 0.00 C ATOM 395 C SER A 25 -16.093 71.942 21.467 1.00 0.00 C ATOM 396 O SER A 25 -16.665 71.009 20.936 1.00 0.00 O ATOM 397 CB SER A 25 -17.115 73.943 22.624 1.00 0.00 C ATOM 398 OG SER A 25 -16.395 74.608 21.591 1.00 0.00 O ATOM 0 H SER A 25 -14.751 73.228 23.630 1.00 0.00 H new ATOM 0 HA SER A 25 -17.390 71.868 23.163 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.177 73.917 22.378 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.018 74.496 23.558 1.00 0.00 H new ATOM 0 HG SER A 25 -15.540 74.931 21.944 1.00 0.00 H new ATOM 404 N LYS A 26 -15.046 72.502 20.918 1.00 0.00 N ATOM 405 CA LYS A 26 -14.519 72.005 19.610 1.00 0.00 C ATOM 406 C LYS A 26 -14.104 70.534 19.730 1.00 0.00 C ATOM 407 O LYS A 26 -14.074 69.812 18.750 1.00 0.00 O ATOM 408 CB LYS A 26 -13.308 72.839 19.200 1.00 0.00 C ATOM 409 CG LYS A 26 -13.770 74.041 18.368 1.00 0.00 C ATOM 410 CD LYS A 26 -14.210 75.185 19.295 1.00 0.00 C ATOM 411 CE LYS A 26 -15.673 75.545 19.022 1.00 0.00 C ATOM 412 NZ LYS A 26 -16.030 76.781 19.774 1.00 0.00 N ATOM 0 H LYS A 26 -14.531 73.285 21.320 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.302 72.094 18.857 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.773 73.181 20.086 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.613 72.230 18.623 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.961 74.378 17.720 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.596 73.749 17.720 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.088 74.888 20.337 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.576 76.057 19.136 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.827 75.699 17.954 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.323 74.723 19.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.810 77.269 19.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.326 76.527 20.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.203 77.410 19.820 1.00 0.00 H new ATOM 426 N THR A 27 -13.780 70.088 20.917 1.00 0.00 N ATOM 427 CA THR A 27 -13.360 68.668 21.101 1.00 0.00 C ATOM 428 C THR A 27 -14.591 67.786 21.309 1.00 0.00 C ATOM 429 O THR A 27 -14.812 66.845 20.568 1.00 0.00 O ATOM 430 CB THR A 27 -12.443 68.562 22.317 1.00 0.00 C ATOM 431 OG1 THR A 27 -11.433 69.557 22.227 1.00 0.00 O ATOM 432 CG2 THR A 27 -11.798 67.179 22.348 1.00 0.00 C ATOM 0 H THR A 27 -13.789 70.649 21.769 1.00 0.00 H new ATOM 0 HA THR A 27 -12.826 68.333 20.212 1.00 0.00 H new ATOM 0 HB THR A 27 -13.022 68.710 23.229 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.826 70.438 22.399 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.143 67.102 23.216 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.575 66.417 22.411 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.215 67.029 21.439 1.00 0.00 H new ATOM 440 N MET A 28 -15.400 68.079 22.301 1.00 0.00 N ATOM 441 CA MET A 28 -16.607 67.268 22.542 1.00 0.00 C ATOM 442 C MET A 28 -17.556 67.460 21.335 1.00 0.00 C ATOM 443 O MET A 28 -17.343 66.858 20.298 1.00 0.00 O ATOM 444 CB MET A 28 -17.230 67.719 23.877 1.00 0.00 C ATOM 445 CG MET A 28 -18.590 67.053 24.081 1.00 0.00 C ATOM 446 SD MET A 28 -18.512 65.859 25.443 1.00 0.00 S ATOM 447 CE MET A 28 -17.159 64.852 24.787 1.00 0.00 C ATOM 0 H MET A 28 -15.263 68.853 22.951 1.00 0.00 H new ATOM 0 HA MET A 28 -16.388 66.204 22.627 1.00 0.00 H new ATOM 0 HB2 MET A 28 -16.565 67.462 24.701 1.00 0.00 H new ATOM 0 HB3 MET A 28 -17.344 68.803 23.885 1.00 0.00 H new ATOM 0 HG2 MET A 28 -19.344 67.810 24.296 1.00 0.00 H new ATOM 0 HG3 MET A 28 -18.896 66.549 23.164 1.00 0.00 H new ATOM 0 HE1 MET A 28 -17.103 63.914 25.339 1.00 0.00 H new ATOM 0 HE2 MET A 28 -17.339 64.643 23.733 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.218 65.392 24.894 1.00 0.00 H new ATOM 457 N ASN A 29 -18.597 68.265 21.442 1.00 0.00 N ATOM 458 CA ASN A 29 -19.517 68.434 20.284 1.00 0.00 C ATOM 459 C ASN A 29 -20.401 69.687 20.457 1.00 0.00 C ATOM 460 O ASN A 29 -21.607 69.581 20.560 1.00 0.00 O ATOM 461 CB ASN A 29 -20.388 67.191 20.242 1.00 0.00 C ATOM 462 CG ASN A 29 -21.349 67.249 19.050 1.00 0.00 C ATOM 463 OD1 ASN A 29 -22.532 67.467 19.219 1.00 0.00 O ATOM 464 ND2 ASN A 29 -20.885 67.062 17.844 1.00 0.00 N ATOM 0 H ASN A 29 -18.839 68.802 22.275 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.951 68.563 19.361 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.761 66.303 20.168 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -20.954 67.105 21.169 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.516 67.099 17.043 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.892 66.879 17.702 1.00 0.00 H new ATOM 471 N ILE A 30 -19.819 70.867 20.472 1.00 0.00 N ATOM 472 CA ILE A 30 -20.647 72.120 20.627 1.00 0.00 C ATOM 473 C ILE A 30 -19.749 73.361 20.525 1.00 0.00 C ATOM 474 O ILE A 30 -18.560 73.265 20.289 1.00 0.00 O ATOM 475 CB ILE A 30 -21.373 72.151 21.996 1.00 0.00 C ATOM 476 CG1 ILE A 30 -20.631 71.299 23.039 1.00 0.00 C ATOM 477 CG2 ILE A 30 -22.803 71.628 21.841 1.00 0.00 C ATOM 478 CD1 ILE A 30 -21.111 71.675 24.442 1.00 0.00 C ATOM 0 H ILE A 30 -18.814 71.020 20.385 1.00 0.00 H new ATOM 0 HA ILE A 30 -21.390 72.122 19.829 1.00 0.00 H new ATOM 0 HB ILE A 30 -21.392 73.185 22.342 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -20.811 70.240 22.853 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -19.556 71.459 22.956 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -23.306 71.653 22.808 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -23.345 72.255 21.133 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -22.777 70.603 21.472 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -20.585 71.071 25.181 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -20.908 72.730 24.625 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -22.183 71.492 24.521 1.00 0.00 H new ATOM 490 N ALA A 31 -20.321 74.527 20.724 1.00 0.00 N ATOM 491 CA ALA A 31 -19.526 75.794 20.676 1.00 0.00 C ATOM 492 C ALA A 31 -19.180 76.179 22.117 1.00 0.00 C ATOM 493 O ALA A 31 -19.676 75.573 23.035 1.00 0.00 O ATOM 494 CB ALA A 31 -20.357 76.903 20.028 1.00 0.00 C ATOM 0 H ALA A 31 -21.314 74.654 20.919 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.619 75.655 20.088 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.774 77.823 19.996 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.628 76.609 19.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -21.262 77.068 20.612 1.00 0.00 H new ATOM 500 N ARG A 32 -18.328 77.156 22.330 1.00 0.00 N ATOM 501 CA ARG A 32 -17.949 77.531 23.722 1.00 0.00 C ATOM 502 C ARG A 32 -19.147 78.073 24.509 1.00 0.00 C ATOM 503 O ARG A 32 -19.375 77.683 25.642 1.00 0.00 O ATOM 504 CB ARG A 32 -16.834 78.580 23.673 1.00 0.00 C ATOM 505 CG ARG A 32 -17.269 79.799 22.849 1.00 0.00 C ATOM 506 CD ARG A 32 -17.832 80.879 23.777 1.00 0.00 C ATOM 507 NE ARG A 32 -16.793 81.930 24.006 1.00 0.00 N ATOM 508 CZ ARG A 32 -17.103 83.100 24.530 1.00 0.00 C ATOM 509 NH1 ARG A 32 -18.335 83.395 24.877 1.00 0.00 N ATOM 510 NH2 ARG A 32 -16.162 83.987 24.708 1.00 0.00 N ATOM 0 H ARG A 32 -17.881 77.707 21.597 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.599 76.636 24.236 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.578 78.892 24.685 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.936 78.143 23.237 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.420 80.193 22.290 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.023 79.505 22.119 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.724 81.324 23.336 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.133 80.437 24.727 1.00 0.00 H new ATOM 0 HE ARG A 32 -15.824 81.738 23.752 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.080 82.711 24.743 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.547 84.308 25.280 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.201 83.771 24.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.388 84.896 25.112 1.00 0.00 H new ATOM 524 N SER A 33 -19.909 78.964 23.934 1.00 0.00 N ATOM 525 CA SER A 33 -21.082 79.524 24.671 1.00 0.00 C ATOM 526 C SER A 33 -22.121 78.418 24.854 1.00 0.00 C ATOM 527 O SER A 33 -22.783 78.327 25.873 1.00 0.00 O ATOM 528 CB SER A 33 -21.692 80.675 23.870 1.00 0.00 C ATOM 529 OG SER A 33 -22.264 81.618 24.767 1.00 0.00 O ATOM 0 H SER A 33 -19.773 79.328 22.991 1.00 0.00 H new ATOM 0 HA SER A 33 -20.764 79.899 25.644 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.927 81.154 23.259 1.00 0.00 H new ATOM 0 HB3 SER A 33 -22.453 80.296 23.188 1.00 0.00 H new ATOM 0 HG SER A 33 -22.655 82.359 24.258 1.00 0.00 H new ATOM 535 N THR A 34 -22.248 77.567 23.872 1.00 0.00 N ATOM 536 CA THR A 34 -23.221 76.442 23.955 1.00 0.00 C ATOM 537 C THR A 34 -22.848 75.551 25.138 1.00 0.00 C ATOM 538 O THR A 34 -23.702 75.009 25.831 1.00 0.00 O ATOM 539 CB THR A 34 -23.144 75.626 22.666 1.00 0.00 C ATOM 540 OG1 THR A 34 -23.332 76.488 21.552 1.00 0.00 O ATOM 541 CG2 THR A 34 -24.230 74.551 22.673 1.00 0.00 C ATOM 0 H THR A 34 -21.712 77.605 23.005 1.00 0.00 H new ATOM 0 HA THR A 34 -24.231 76.828 24.088 1.00 0.00 H new ATOM 0 HB THR A 34 -22.167 75.148 22.595 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.281 75.967 20.723 1.00 0.00 H new ATOM 0 HG21 THR A 34 -24.173 73.970 21.752 1.00 0.00 H new ATOM 0 HG22 THR A 34 -24.083 73.891 23.528 1.00 0.00 H new ATOM 0 HG23 THR A 34 -25.210 75.024 22.744 1.00 0.00 H new ATOM 549 N VAL A 35 -21.570 75.411 25.385 1.00 0.00 N ATOM 550 CA VAL A 35 -21.125 74.576 26.524 1.00 0.00 C ATOM 551 C VAL A 35 -21.614 75.215 27.814 1.00 0.00 C ATOM 552 O VAL A 35 -21.931 74.527 28.750 1.00 0.00 O ATOM 553 CB VAL A 35 -19.598 74.484 26.574 1.00 0.00 C ATOM 554 CG1 VAL A 35 -19.197 73.398 27.570 1.00 0.00 C ATOM 555 CG2 VAL A 35 -19.026 74.138 25.198 1.00 0.00 C ATOM 0 H VAL A 35 -20.821 75.842 24.843 1.00 0.00 H new ATOM 0 HA VAL A 35 -21.533 73.572 26.402 1.00 0.00 H new ATOM 0 HB VAL A 35 -19.200 75.451 26.883 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.110 73.326 27.612 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.582 73.650 28.558 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -19.612 72.442 27.252 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.939 74.078 25.260 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.424 73.178 24.870 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.307 74.911 24.482 1.00 0.00 H new ATOM 565 N TYR A 36 -21.668 76.529 27.869 1.00 0.00 N ATOM 566 CA TYR A 36 -22.133 77.199 29.126 1.00 0.00 C ATOM 567 C TYR A 36 -23.636 77.092 29.286 1.00 0.00 C ATOM 568 O TYR A 36 -24.147 77.245 30.378 1.00 0.00 O ATOM 569 CB TYR A 36 -21.644 78.647 29.187 1.00 0.00 C ATOM 570 CG TYR A 36 -20.173 78.642 29.560 1.00 0.00 C ATOM 571 CD1 TYR A 36 -19.702 77.838 30.620 1.00 0.00 C ATOM 572 CD2 TYR A 36 -19.278 79.415 28.826 1.00 0.00 C ATOM 573 CE1 TYR A 36 -18.349 77.814 30.942 1.00 0.00 C ATOM 574 CE2 TYR A 36 -17.917 79.401 29.145 1.00 0.00 C ATOM 575 CZ TYR A 36 -17.447 78.602 30.203 1.00 0.00 C ATOM 576 OH TYR A 36 -16.104 78.603 30.518 1.00 0.00 O ATOM 0 H TYR A 36 -21.413 77.157 27.107 1.00 0.00 H new ATOM 0 HA TYR A 36 -21.691 76.675 29.973 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -21.789 79.137 28.224 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -22.219 79.211 29.921 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -20.398 77.236 31.186 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -19.635 80.026 28.010 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -17.993 77.195 31.753 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.225 80.005 28.578 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.922 77.903 31.179 1.00 0.00 H new ATOM 586 N LYS A 37 -24.348 76.747 28.248 1.00 0.00 N ATOM 587 CA LYS A 37 -25.805 76.527 28.411 1.00 0.00 C ATOM 588 C LYS A 37 -25.949 75.278 29.290 1.00 0.00 C ATOM 589 O LYS A 37 -26.794 75.186 30.159 1.00 0.00 O ATOM 590 CB LYS A 37 -26.443 76.259 27.056 1.00 0.00 C ATOM 591 CG LYS A 37 -26.914 77.577 26.437 1.00 0.00 C ATOM 592 CD LYS A 37 -25.702 78.436 26.079 1.00 0.00 C ATOM 593 CE LYS A 37 -26.113 79.502 25.062 1.00 0.00 C ATOM 594 NZ LYS A 37 -27.146 80.392 25.664 1.00 0.00 N ATOM 0 H LYS A 37 -23.985 76.610 27.305 1.00 0.00 H new ATOM 0 HA LYS A 37 -26.290 77.397 28.853 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.726 75.772 26.396 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -27.286 75.577 27.169 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -27.509 77.380 25.545 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -27.557 78.110 27.137 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -25.301 78.909 26.975 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -24.910 77.811 25.667 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.244 80.087 24.762 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -26.505 79.029 24.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -27.254 81.245 25.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -28.054 79.887 25.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -26.852 80.666 26.623 1.00 0.00 H new ATOM 608 N VAL A 38 -25.093 74.319 29.039 1.00 0.00 N ATOM 609 CA VAL A 38 -25.091 73.042 29.802 1.00 0.00 C ATOM 610 C VAL A 38 -24.499 73.238 31.227 1.00 0.00 C ATOM 611 O VAL A 38 -25.104 72.881 32.218 1.00 0.00 O ATOM 612 CB VAL A 38 -24.249 72.047 28.963 1.00 0.00 C ATOM 613 CG1 VAL A 38 -23.514 71.004 29.819 1.00 0.00 C ATOM 614 CG2 VAL A 38 -25.176 71.336 27.982 1.00 0.00 C ATOM 0 H VAL A 38 -24.377 74.375 28.315 1.00 0.00 H new ATOM 0 HA VAL A 38 -26.103 72.666 29.953 1.00 0.00 H new ATOM 0 HB VAL A 38 -23.482 72.621 28.443 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -22.943 70.338 29.171 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -22.836 71.510 30.507 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -24.240 70.423 30.387 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -24.600 70.631 27.383 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -25.946 70.798 28.534 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -25.645 72.070 27.327 1.00 0.00 H new ATOM 624 N ILE A 39 -23.306 73.761 31.310 1.00 0.00 N ATOM 625 CA ILE A 39 -22.611 73.956 32.628 1.00 0.00 C ATOM 626 C ILE A 39 -23.489 74.793 33.551 1.00 0.00 C ATOM 627 O ILE A 39 -23.518 74.598 34.752 1.00 0.00 O ATOM 628 CB ILE A 39 -21.265 74.647 32.381 1.00 0.00 C ATOM 629 CG1 ILE A 39 -20.479 73.869 31.339 1.00 0.00 C ATOM 630 CG2 ILE A 39 -20.407 74.710 33.642 1.00 0.00 C ATOM 631 CD1 ILE A 39 -19.745 74.850 30.472 1.00 0.00 C ATOM 0 H ILE A 39 -22.766 74.071 30.502 1.00 0.00 H new ATOM 0 HA ILE A 39 -22.433 72.993 33.107 1.00 0.00 H new ATOM 0 HB ILE A 39 -21.487 75.661 32.049 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -19.777 73.190 31.822 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.150 73.257 30.736 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.464 75.208 33.416 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -20.936 75.268 34.415 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.207 73.699 33.997 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.174 74.311 29.716 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.461 75.510 29.983 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.066 75.442 31.086 1.00 0.00 H new ATOM 643 N ASN A 40 -24.226 75.699 32.982 1.00 0.00 N ATOM 644 CA ASN A 40 -25.145 76.545 33.786 1.00 0.00 C ATOM 645 C ASN A 40 -26.264 75.658 34.323 1.00 0.00 C ATOM 646 O ASN A 40 -26.682 75.783 35.459 1.00 0.00 O ATOM 647 CB ASN A 40 -25.750 77.623 32.890 1.00 0.00 C ATOM 648 CG ASN A 40 -26.502 78.642 33.748 1.00 0.00 C ATOM 649 OD1 ASN A 40 -26.013 79.728 33.989 1.00 0.00 O ATOM 650 ND2 ASN A 40 -27.678 78.336 34.223 1.00 0.00 N ATOM 0 H ASN A 40 -24.231 75.892 31.981 1.00 0.00 H new ATOM 0 HA ASN A 40 -24.604 77.016 34.607 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -24.964 78.121 32.322 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -26.428 77.170 32.167 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -28.187 79.008 34.797 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -28.088 77.424 34.021 1.00 0.00 H new ATOM 657 N GLU A 41 -26.747 74.755 33.505 1.00 0.00 N ATOM 658 CA GLU A 41 -27.840 73.843 33.950 1.00 0.00 C ATOM 659 C GLU A 41 -27.339 72.964 35.100 1.00 0.00 C ATOM 660 O GLU A 41 -28.106 72.530 35.938 1.00 0.00 O ATOM 661 CB GLU A 41 -28.271 72.955 32.781 1.00 0.00 C ATOM 662 CG GLU A 41 -29.036 73.795 31.757 1.00 0.00 C ATOM 663 CD GLU A 41 -29.200 72.998 30.462 1.00 0.00 C ATOM 664 OE1 GLU A 41 -29.947 72.033 30.474 1.00 0.00 O ATOM 665 OE2 GLU A 41 -28.575 73.365 29.480 1.00 0.00 O ATOM 0 H GLU A 41 -26.429 74.612 32.546 1.00 0.00 H new ATOM 0 HA GLU A 41 -28.689 74.435 34.290 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -27.397 72.501 32.314 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -28.900 72.141 33.142 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -30.013 74.069 32.154 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -28.500 74.723 31.560 1.00 0.00 H new ATOM 672 N SER A 42 -26.055 72.696 35.143 1.00 0.00 N ATOM 673 CA SER A 42 -25.492 71.844 36.235 1.00 0.00 C ATOM 674 C SER A 42 -26.128 70.453 36.180 1.00 0.00 C ATOM 675 O SER A 42 -26.317 69.807 37.193 1.00 0.00 O ATOM 676 CB SER A 42 -25.782 72.484 37.595 1.00 0.00 C ATOM 677 OG SER A 42 -24.768 72.107 38.517 1.00 0.00 O ATOM 0 H SER A 42 -25.371 73.033 34.465 1.00 0.00 H new ATOM 0 HA SER A 42 -24.414 71.757 36.101 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.817 73.569 37.499 1.00 0.00 H new ATOM 0 HB3 SER A 42 -26.758 72.164 37.960 1.00 0.00 H new ATOM 0 HG SER A 42 -24.950 72.516 39.389 1.00 0.00 H new ATOM 683 N ASN A 43 -26.458 69.991 35.001 1.00 0.00 N ATOM 684 CA ASN A 43 -27.083 68.643 34.865 1.00 0.00 C ATOM 685 C ASN A 43 -27.285 68.322 33.382 1.00 0.00 C ATOM 686 O ASN A 43 -26.404 67.707 32.804 1.00 0.00 O ATOM 687 CB ASN A 43 -28.435 68.632 35.582 1.00 0.00 C ATOM 688 CG ASN A 43 -28.777 67.203 36.008 1.00 0.00 C ATOM 689 OD1 ASN A 43 -28.443 66.257 35.323 1.00 0.00 O ATOM 690 ND2 ASN A 43 -29.434 67.006 37.118 1.00 0.00 N ATOM 691 OXT ASN A 43 -28.316 68.699 32.848 1.00 0.00 O ATOM 0 H ASN A 43 -26.320 70.493 34.124 1.00 0.00 H new ATOM 0 HA ASN A 43 -26.431 67.893 35.312 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -28.401 69.284 36.455 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -29.211 69.022 34.923 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -29.667 66.057 37.411 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -29.714 67.801 37.693 1.00 0.00 H new TER 698 ASN A 43