USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 462 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -172:sc= -0.229 (180deg=-0.252) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00653) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.369 K(o=-0.37,f=-3.2!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.825 K(o=-0.83,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -150:sc= -2.79! USER MOD Single : A 32 SER OG : rot 79:sc= -0.276 USER MOD Single : A 33 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.21) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.72) USER MOD Single : A 45 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.35) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0802 USER MOD Single : A 51 SER OG : rot 83:sc= 0.437! USER MOD Single : A 52 ASN : amide:sc= -1.34 K(o=-1.3,f=-9.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 56:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 45.776 53.280 -35.384 1.00 0.00 N ATOM 2 CA LEU A 1 45.085 52.772 -34.164 1.00 0.00 C ATOM 3 C LEU A 1 43.598 52.573 -34.466 1.00 0.00 C ATOM 4 O LEU A 1 43.124 51.461 -34.593 1.00 0.00 O ATOM 5 CB LEU A 1 45.243 53.787 -33.030 1.00 0.00 C ATOM 6 CG LEU A 1 44.540 53.265 -31.776 1.00 0.00 C ATOM 7 CD1 LEU A 1 45.548 52.522 -30.898 1.00 0.00 C ATOM 8 CD2 LEU A 1 43.954 54.443 -30.993 1.00 0.00 C ATOM 0 H1 LEU A 1 46.804 53.287 -35.223 1.00 0.00 H new ATOM 0 H2 LEU A 1 45.556 52.662 -36.191 1.00 0.00 H new ATOM 0 H3 LEU A 1 45.451 54.246 -35.590 1.00 0.00 H new ATOM 0 HA LEU A 1 45.526 51.821 -33.865 1.00 0.00 H new ATOM 0 HB2 LEU A 1 46.300 53.956 -32.824 1.00 0.00 H new ATOM 0 HB3 LEU A 1 44.818 54.747 -33.325 1.00 0.00 H new ATOM 0 HG LEU A 1 43.739 52.585 -32.065 1.00 0.00 H new ATOM 0 HD11 LEU A 1 45.047 52.150 -30.004 1.00 0.00 H new ATOM 0 HD12 LEU A 1 45.967 51.684 -31.455 1.00 0.00 H new ATOM 0 HD13 LEU A 1 46.349 53.202 -30.608 1.00 0.00 H new ATOM 0 HD21 LEU A 1 43.453 54.072 -30.099 1.00 0.00 H new ATOM 0 HD22 LEU A 1 44.756 55.123 -30.704 1.00 0.00 H new ATOM 0 HD23 LEU A 1 43.236 54.974 -31.618 1.00 0.00 H new ATOM 22 N LYS A 2 42.860 53.642 -34.581 1.00 0.00 N ATOM 23 CA LYS A 2 41.404 53.517 -34.873 1.00 0.00 C ATOM 24 C LYS A 2 41.067 54.317 -36.133 1.00 0.00 C ATOM 25 O LYS A 2 41.933 54.664 -36.911 1.00 0.00 O ATOM 26 CB LYS A 2 40.598 54.060 -33.691 1.00 0.00 C ATOM 27 CG LYS A 2 39.691 52.960 -33.141 1.00 0.00 C ATOM 28 CD LYS A 2 40.477 52.094 -32.154 1.00 0.00 C ATOM 29 CE LYS A 2 40.286 50.616 -32.505 1.00 0.00 C ATOM 30 NZ LYS A 2 40.785 49.771 -31.384 1.00 0.00 N ATOM 0 H LYS A 2 43.202 54.598 -34.485 1.00 0.00 H new ATOM 0 HA LYS A 2 41.153 52.468 -35.031 1.00 0.00 H new ATOM 0 HB2 LYS A 2 41.271 54.414 -32.911 1.00 0.00 H new ATOM 0 HB3 LYS A 2 40.000 54.914 -34.008 1.00 0.00 H new ATOM 0 HG2 LYS A 2 38.826 53.401 -32.645 1.00 0.00 H new ATOM 0 HG3 LYS A 2 39.311 52.346 -33.957 1.00 0.00 H new ATOM 0 HD2 LYS A 2 41.535 52.353 -32.189 1.00 0.00 H new ATOM 0 HD3 LYS A 2 40.136 52.284 -31.136 1.00 0.00 H new ATOM 0 HE2 LYS A 2 39.232 50.408 -32.690 1.00 0.00 H new ATOM 0 HE3 LYS A 2 40.824 50.377 -33.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 40.656 48.767 -31.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 41.795 49.962 -31.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 40.253 49.993 -30.518 1.00 0.00 H new ATOM 44 N LYS A 3 39.813 54.612 -36.339 1.00 0.00 N ATOM 45 CA LYS A 3 39.416 55.389 -37.547 1.00 0.00 C ATOM 46 C LYS A 3 39.238 56.862 -37.169 1.00 0.00 C ATOM 47 O LYS A 3 38.140 57.319 -36.922 1.00 0.00 O ATOM 48 CB LYS A 3 38.094 54.844 -38.092 1.00 0.00 C ATOM 49 CG LYS A 3 38.370 53.928 -39.285 1.00 0.00 C ATOM 50 CD LYS A 3 37.079 53.212 -39.687 1.00 0.00 C ATOM 51 CE LYS A 3 37.072 52.978 -41.198 1.00 0.00 C ATOM 52 NZ LYS A 3 36.396 54.120 -41.875 1.00 0.00 N ATOM 0 H LYS A 3 39.045 54.348 -35.722 1.00 0.00 H new ATOM 0 HA LYS A 3 40.191 55.297 -38.308 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.567 54.294 -37.313 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.447 55.667 -38.395 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.752 54.510 -40.124 1.00 0.00 H new ATOM 0 HG3 LYS A 3 39.138 53.199 -39.027 1.00 0.00 H new ATOM 0 HD2 LYS A 3 37.000 52.261 -39.161 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.214 53.809 -39.397 1.00 0.00 H new ATOM 0 HE2 LYS A 3 38.093 52.876 -41.566 1.00 0.00 H new ATOM 0 HE3 LYS A 3 36.556 52.047 -41.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 36.361 53.945 -42.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 35.428 54.218 -41.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 36.926 54.996 -41.691 1.00 0.00 H new ATOM 66 N VAL A 4 40.308 57.609 -37.120 1.00 0.00 N ATOM 67 CA VAL A 4 40.188 59.049 -36.755 1.00 0.00 C ATOM 68 C VAL A 4 39.236 59.742 -37.735 1.00 0.00 C ATOM 69 O VAL A 4 39.533 59.888 -38.904 1.00 0.00 O ATOM 70 CB VAL A 4 41.560 59.712 -36.831 1.00 0.00 C ATOM 71 CG1 VAL A 4 42.060 59.693 -38.276 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.452 61.158 -36.355 1.00 0.00 C ATOM 0 H VAL A 4 41.255 57.286 -37.316 1.00 0.00 H new ATOM 0 HA VAL A 4 39.799 59.135 -35.740 1.00 0.00 H new ATOM 0 HB VAL A 4 42.259 59.168 -36.197 1.00 0.00 H new ATOM 0 HG11 VAL A 4 43.040 60.167 -38.328 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.137 58.662 -38.621 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.360 60.237 -38.910 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.432 61.633 -36.409 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.751 61.699 -36.991 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.096 61.176 -35.325 1.00 0.00 H new ATOM 82 N VAL A 5 38.090 60.154 -37.272 1.00 0.00 N ATOM 83 CA VAL A 5 37.110 60.819 -38.176 1.00 0.00 C ATOM 84 C VAL A 5 37.326 62.334 -38.202 1.00 0.00 C ATOM 85 O VAL A 5 37.414 62.974 -37.185 1.00 0.00 O ATOM 86 CB VAL A 5 35.704 60.508 -37.686 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.656 60.711 -36.176 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.711 61.447 -38.366 1.00 0.00 C ATOM 0 H VAL A 5 37.788 60.059 -36.302 1.00 0.00 H new ATOM 0 HA VAL A 5 37.249 60.442 -39.189 1.00 0.00 H new ATOM 0 HB VAL A 5 35.442 59.478 -37.927 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.653 60.491 -35.811 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.371 60.043 -35.696 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.910 61.744 -35.940 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.703 61.226 -38.016 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.961 62.480 -38.122 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.759 61.307 -39.446 1.00 0.00 H new ATOM 98 N ALA A 6 37.378 62.911 -39.366 1.00 0.00 N ATOM 99 CA ALA A 6 37.575 64.387 -39.470 1.00 0.00 C ATOM 100 C ALA A 6 36.572 65.119 -38.573 1.00 0.00 C ATOM 101 O ALA A 6 35.768 64.510 -37.896 1.00 0.00 O ATOM 102 CB ALA A 6 37.358 64.819 -40.922 1.00 0.00 C ATOM 0 H ALA A 6 37.292 62.424 -40.258 1.00 0.00 H new ATOM 0 HA ALA A 6 38.587 64.636 -39.150 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.500 65.896 -41.006 1.00 0.00 H new ATOM 0 HB2 ALA A 6 38.074 64.307 -41.565 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.345 64.562 -41.231 1.00 0.00 H new ATOM 108 N LEU A 7 36.622 66.428 -38.562 1.00 0.00 N ATOM 109 CA LEU A 7 35.679 67.208 -37.707 1.00 0.00 C ATOM 110 C LEU A 7 35.321 68.528 -38.391 1.00 0.00 C ATOM 111 O LEU A 7 34.201 68.736 -38.815 1.00 0.00 O ATOM 112 CB LEU A 7 36.348 67.515 -36.364 1.00 0.00 C ATOM 113 CG LEU A 7 35.419 67.144 -35.208 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.277 68.158 -35.125 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.845 65.743 -35.431 1.00 0.00 C ATOM 0 H LEU A 7 37.276 66.989 -39.109 1.00 0.00 H new ATOM 0 HA LEU A 7 34.774 66.621 -37.552 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.282 66.960 -36.281 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.601 68.574 -36.310 1.00 0.00 H new ATOM 0 HG LEU A 7 35.984 67.155 -34.276 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.615 67.893 -34.301 1.00 0.00 H new ATOM 0 HD12 LEU A 7 34.686 69.154 -34.956 1.00 0.00 H new ATOM 0 HD13 LEU A 7 33.715 68.150 -36.059 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.184 65.485 -34.604 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.282 65.725 -36.364 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.659 65.020 -35.484 1.00 0.00 H new ATOM 127 N TYR A 8 36.259 69.432 -38.487 1.00 0.00 N ATOM 128 CA TYR A 8 35.966 70.748 -39.123 1.00 0.00 C ATOM 129 C TYR A 8 36.719 70.877 -40.451 1.00 0.00 C ATOM 130 O TYR A 8 36.825 71.951 -41.009 1.00 0.00 O ATOM 131 CB TYR A 8 36.395 71.867 -38.174 1.00 0.00 C ATOM 132 CG TYR A 8 35.869 71.573 -36.789 1.00 0.00 C ATOM 133 CD1 TYR A 8 34.495 71.644 -36.532 1.00 0.00 C ATOM 134 CD2 TYR A 8 36.756 71.226 -35.761 1.00 0.00 C ATOM 135 CE1 TYR A 8 34.007 71.371 -35.248 1.00 0.00 C ATOM 136 CE2 TYR A 8 36.267 70.952 -34.478 1.00 0.00 C ATOM 137 CZ TYR A 8 34.892 71.025 -34.221 1.00 0.00 C ATOM 138 OH TYR A 8 34.411 70.755 -32.956 1.00 0.00 O ATOM 0 H TYR A 8 37.215 69.315 -38.152 1.00 0.00 H new ATOM 0 HA TYR A 8 34.897 70.821 -39.322 1.00 0.00 H new ATOM 0 HB2 TYR A 8 37.482 71.946 -38.154 1.00 0.00 H new ATOM 0 HB3 TYR A 8 36.012 72.825 -38.526 1.00 0.00 H new ATOM 0 HD1 TYR A 8 33.811 71.909 -37.324 1.00 0.00 H new ATOM 0 HD2 TYR A 8 37.816 71.170 -35.958 1.00 0.00 H new ATOM 0 HE1 TYR A 8 32.947 71.428 -35.050 1.00 0.00 H new ATOM 0 HE2 TYR A 8 36.951 70.684 -33.686 1.00 0.00 H new ATOM 0 HH TYR A 8 35.158 70.530 -32.363 1.00 0.00 H new ATOM 148 N ASP A 9 37.227 69.792 -40.967 1.00 0.00 N ATOM 149 CA ASP A 9 37.956 69.852 -42.268 1.00 0.00 C ATOM 150 C ASP A 9 39.360 70.417 -42.056 1.00 0.00 C ATOM 151 O ASP A 9 39.615 71.149 -41.119 1.00 0.00 O ATOM 152 CB ASP A 9 37.189 70.749 -43.243 1.00 0.00 C ATOM 153 CG ASP A 9 37.425 70.267 -44.675 1.00 0.00 C ATOM 154 OD1 ASP A 9 38.558 69.940 -44.990 1.00 0.00 O ATOM 155 OD2 ASP A 9 36.470 70.233 -45.432 1.00 0.00 O ATOM 0 H ASP A 9 37.169 68.865 -40.545 1.00 0.00 H new ATOM 0 HA ASP A 9 38.034 68.845 -42.679 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.124 70.728 -43.012 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.517 71.783 -43.137 1.00 0.00 H new ATOM 160 N TYR A 10 40.271 70.081 -42.926 1.00 0.00 N ATOM 161 CA TYR A 10 41.661 70.591 -42.793 1.00 0.00 C ATOM 162 C TYR A 10 42.361 70.475 -44.147 1.00 0.00 C ATOM 163 O TYR A 10 42.515 69.396 -44.678 1.00 0.00 O ATOM 164 CB TYR A 10 42.413 69.756 -41.757 1.00 0.00 C ATOM 165 CG TYR A 10 43.665 70.484 -41.338 1.00 0.00 C ATOM 166 CD1 TYR A 10 44.806 70.438 -42.148 1.00 0.00 C ATOM 167 CD2 TYR A 10 43.686 71.207 -40.140 1.00 0.00 C ATOM 168 CE1 TYR A 10 45.968 71.115 -41.759 1.00 0.00 C ATOM 169 CE2 TYR A 10 44.848 71.885 -39.751 1.00 0.00 C ATOM 170 CZ TYR A 10 45.989 71.839 -40.561 1.00 0.00 C ATOM 171 OH TYR A 10 47.134 72.507 -40.179 1.00 0.00 O ATOM 0 H TYR A 10 40.110 69.471 -43.728 1.00 0.00 H new ATOM 0 HA TYR A 10 41.645 71.633 -42.472 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.778 69.574 -40.890 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.668 68.782 -42.175 1.00 0.00 H new ATOM 0 HD1 TYR A 10 44.790 69.880 -43.073 1.00 0.00 H new ATOM 0 HD2 TYR A 10 42.806 71.242 -39.515 1.00 0.00 H new ATOM 0 HE1 TYR A 10 46.849 71.079 -42.383 1.00 0.00 H new ATOM 0 HE2 TYR A 10 44.864 72.443 -38.827 1.00 0.00 H new ATOM 0 HH TYR A 10 46.979 72.960 -39.324 1.00 0.00 H new ATOM 181 N MET A 11 42.782 71.571 -44.714 1.00 0.00 N ATOM 182 CA MET A 11 43.462 71.505 -46.035 1.00 0.00 C ATOM 183 C MET A 11 44.921 71.088 -45.837 1.00 0.00 C ATOM 184 O MET A 11 45.467 71.238 -44.762 1.00 0.00 O ATOM 185 CB MET A 11 43.408 72.879 -46.707 1.00 0.00 C ATOM 186 CG MET A 11 41.975 73.171 -47.156 1.00 0.00 C ATOM 187 SD MET A 11 41.873 74.863 -47.788 1.00 0.00 S ATOM 188 CE MET A 11 40.119 75.132 -47.437 1.00 0.00 C ATOM 0 H MET A 11 42.684 72.507 -44.320 1.00 0.00 H new ATOM 0 HA MET A 11 42.958 70.773 -46.667 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.747 73.648 -46.013 1.00 0.00 H new ATOM 0 HB3 MET A 11 44.081 72.903 -47.564 1.00 0.00 H new ATOM 0 HG2 MET A 11 41.674 72.464 -47.929 1.00 0.00 H new ATOM 0 HG3 MET A 11 41.287 73.042 -46.320 1.00 0.00 H new ATOM 0 HE1 MET A 11 39.834 76.135 -47.754 1.00 0.00 H new ATOM 0 HE2 MET A 11 39.523 74.398 -47.979 1.00 0.00 H new ATOM 0 HE3 MET A 11 39.942 75.025 -46.367 1.00 0.00 H new ATOM 198 N PRO A 12 45.507 70.568 -46.885 1.00 0.00 N ATOM 199 CA PRO A 12 46.905 70.106 -46.864 1.00 0.00 C ATOM 200 C PRO A 12 47.869 71.291 -46.965 1.00 0.00 C ATOM 201 O PRO A 12 48.001 71.911 -48.002 1.00 0.00 O ATOM 202 CB PRO A 12 47.007 69.215 -48.104 1.00 0.00 C ATOM 203 CG PRO A 12 45.870 69.658 -49.055 1.00 0.00 C ATOM 204 CD PRO A 12 44.830 70.391 -48.187 1.00 0.00 C ATOM 0 HA PRO A 12 47.166 69.584 -45.944 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.980 69.326 -48.583 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.902 68.164 -47.836 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.253 70.313 -49.837 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.423 68.797 -49.551 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.550 71.349 -48.624 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.915 69.808 -48.084 1.00 0.00 H new ATOM 211 N MET A 13 48.551 71.603 -45.898 1.00 0.00 N ATOM 212 CA MET A 13 49.513 72.739 -45.936 1.00 0.00 C ATOM 213 C MET A 13 50.805 72.279 -46.614 1.00 0.00 C ATOM 214 O MET A 13 51.656 73.075 -46.957 1.00 0.00 O ATOM 215 CB MET A 13 49.820 73.198 -44.509 1.00 0.00 C ATOM 216 CG MET A 13 48.864 74.327 -44.118 1.00 0.00 C ATOM 217 SD MET A 13 49.768 75.585 -43.180 1.00 0.00 S ATOM 218 CE MET A 13 49.688 76.897 -44.423 1.00 0.00 C ATOM 0 H MET A 13 48.484 71.120 -45.002 1.00 0.00 H new ATOM 0 HA MET A 13 49.080 73.568 -46.495 1.00 0.00 H new ATOM 0 HB2 MET A 13 49.715 72.363 -43.817 1.00 0.00 H new ATOM 0 HB3 MET A 13 50.852 73.541 -44.440 1.00 0.00 H new ATOM 0 HG2 MET A 13 48.423 74.770 -45.011 1.00 0.00 H new ATOM 0 HG3 MET A 13 48.043 73.932 -43.520 1.00 0.00 H new ATOM 0 HE1 MET A 13 50.195 77.786 -44.047 1.00 0.00 H new ATOM 0 HE2 MET A 13 50.175 76.561 -45.338 1.00 0.00 H new ATOM 0 HE3 MET A 13 48.645 77.136 -44.634 1.00 0.00 H new ATOM 228 N ASN A 14 50.955 70.996 -46.810 1.00 0.00 N ATOM 229 CA ASN A 14 52.189 70.480 -47.466 1.00 0.00 C ATOM 230 C ASN A 14 51.817 69.814 -48.793 1.00 0.00 C ATOM 231 O ASN A 14 52.065 70.349 -49.855 1.00 0.00 O ATOM 232 CB ASN A 14 52.863 69.455 -46.550 1.00 0.00 C ATOM 233 CG ASN A 14 54.032 70.116 -45.818 1.00 0.00 C ATOM 234 OD1 ASN A 14 54.262 71.301 -45.962 1.00 0.00 O ATOM 235 ND2 ASN A 14 54.788 69.395 -45.035 1.00 0.00 N ATOM 0 H ASN A 14 50.275 70.284 -46.544 1.00 0.00 H new ATOM 0 HA ASN A 14 52.876 71.305 -47.653 1.00 0.00 H new ATOM 0 HB2 ASN A 14 52.143 69.066 -45.830 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.219 68.607 -47.135 1.00 0.00 H new ATOM 0 HD21 ASN A 14 55.571 69.826 -44.544 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.595 68.401 -44.914 1.00 0.00 H new ATOM 242 N ALA A 15 51.225 68.652 -48.743 1.00 0.00 N ATOM 243 CA ALA A 15 50.840 67.961 -50.006 1.00 0.00 C ATOM 244 C ALA A 15 50.164 66.625 -49.683 1.00 0.00 C ATOM 245 O ALA A 15 49.027 66.392 -50.041 1.00 0.00 O ATOM 246 CB ALA A 15 52.092 67.708 -50.849 1.00 0.00 C ATOM 0 H ALA A 15 50.992 68.153 -47.885 1.00 0.00 H new ATOM 0 HA ALA A 15 50.144 68.590 -50.562 1.00 0.00 H new ATOM 0 HB1 ALA A 15 51.812 67.203 -51.773 1.00 0.00 H new ATOM 0 HB2 ALA A 15 52.570 68.659 -51.086 1.00 0.00 H new ATOM 0 HB3 ALA A 15 52.787 67.082 -50.289 1.00 0.00 H new ATOM 252 N ASN A 16 50.859 65.742 -49.017 1.00 0.00 N ATOM 253 CA ASN A 16 50.260 64.418 -48.678 1.00 0.00 C ATOM 254 C ASN A 16 49.081 64.611 -47.722 1.00 0.00 C ATOM 255 O ASN A 16 48.130 63.857 -47.738 1.00 0.00 O ATOM 256 CB ASN A 16 51.318 63.539 -48.009 1.00 0.00 C ATOM 257 CG ASN A 16 52.143 62.827 -49.082 1.00 0.00 C ATOM 258 OD1 ASN A 16 51.963 61.649 -49.321 1.00 0.00 O ATOM 259 ND2 ASN A 16 53.047 63.495 -49.745 1.00 0.00 N ATOM 0 H ASN A 16 51.816 65.880 -48.693 1.00 0.00 H new ATOM 0 HA ASN A 16 49.907 63.938 -49.591 1.00 0.00 H new ATOM 0 HB2 ASN A 16 51.968 64.148 -47.380 1.00 0.00 H new ATOM 0 HB3 ASN A 16 50.839 62.807 -47.358 1.00 0.00 H new ATOM 0 HD21 ASN A 16 53.602 63.028 -50.463 1.00 0.00 H new ATOM 0 HD22 ASN A 16 53.199 64.484 -49.545 1.00 0.00 H new ATOM 266 N ASP A 17 49.139 65.615 -46.891 1.00 0.00 N ATOM 267 CA ASP A 17 48.028 65.867 -45.924 1.00 0.00 C ATOM 268 C ASP A 17 46.673 65.600 -46.589 1.00 0.00 C ATOM 269 O ASP A 17 46.367 66.150 -47.628 1.00 0.00 O ATOM 270 CB ASP A 17 48.088 67.329 -45.477 1.00 0.00 C ATOM 271 CG ASP A 17 49.397 67.581 -44.726 1.00 0.00 C ATOM 272 OD1 ASP A 17 50.415 67.072 -45.162 1.00 0.00 O ATOM 273 OD2 ASP A 17 49.357 68.279 -43.725 1.00 0.00 O ATOM 0 H ASP A 17 49.913 66.277 -46.838 1.00 0.00 H new ATOM 0 HA ASP A 17 48.138 65.202 -45.068 1.00 0.00 H new ATOM 0 HB2 ASP A 17 48.021 67.988 -46.343 1.00 0.00 H new ATOM 0 HB3 ASP A 17 47.238 67.559 -44.835 1.00 0.00 H new ATOM 278 N LEU A 18 45.847 64.768 -45.999 1.00 0.00 N ATOM 279 CA LEU A 18 44.516 64.495 -46.612 1.00 0.00 C ATOM 280 C LEU A 18 43.566 65.639 -46.268 1.00 0.00 C ATOM 281 O LEU A 18 43.274 65.890 -45.117 1.00 0.00 O ATOM 282 CB LEU A 18 43.949 63.190 -46.037 1.00 0.00 C ATOM 283 CG LEU A 18 44.179 61.977 -46.967 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.165 62.292 -48.105 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.737 60.831 -46.128 1.00 0.00 C ATOM 0 H LEU A 18 46.038 64.272 -45.128 1.00 0.00 H new ATOM 0 HA LEU A 18 44.622 64.407 -47.693 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.411 62.993 -45.070 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.880 63.310 -45.861 1.00 0.00 H new ATOM 0 HG LEU A 18 43.226 61.712 -47.424 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.293 61.408 -48.730 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.774 63.111 -48.709 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.128 62.580 -47.683 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.907 59.963 -46.765 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.679 61.138 -45.674 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.024 60.572 -45.345 1.00 0.00 H new ATOM 297 N GLN A 19 43.077 66.331 -47.257 1.00 0.00 N ATOM 298 CA GLN A 19 42.138 67.451 -46.971 1.00 0.00 C ATOM 299 C GLN A 19 40.907 66.881 -46.266 1.00 0.00 C ATOM 300 O GLN A 19 39.995 66.383 -46.895 1.00 0.00 O ATOM 301 CB GLN A 19 41.722 68.132 -48.279 1.00 0.00 C ATOM 302 CG GLN A 19 40.594 69.129 -48.005 1.00 0.00 C ATOM 303 CD GLN A 19 39.876 69.465 -49.315 1.00 0.00 C ATOM 304 OE1 GLN A 19 38.747 69.912 -49.304 1.00 0.00 O ATOM 305 NE2 GLN A 19 40.489 69.269 -50.451 1.00 0.00 N ATOM 0 H GLN A 19 43.284 66.172 -48.243 1.00 0.00 H new ATOM 0 HA GLN A 19 42.623 68.191 -46.335 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.576 68.646 -48.720 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.392 67.385 -49.001 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.888 68.707 -47.289 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.998 70.037 -47.557 1.00 0.00 H new ATOM 0 HE21 GLN A 19 41.437 68.894 -50.461 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.020 69.491 -51.329 1.00 0.00 H new ATOM 314 N LEU A 20 40.883 66.930 -44.962 1.00 0.00 N ATOM 315 CA LEU A 20 39.718 66.368 -44.224 1.00 0.00 C ATOM 316 C LEU A 20 38.416 66.791 -44.904 1.00 0.00 C ATOM 317 O LEU A 20 38.384 67.716 -45.689 1.00 0.00 O ATOM 318 CB LEU A 20 39.726 66.863 -42.775 1.00 0.00 C ATOM 319 CG LEU A 20 40.958 66.332 -42.022 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.541 65.944 -40.605 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.547 65.097 -42.723 1.00 0.00 C ATOM 0 H LEU A 20 41.616 67.333 -44.379 1.00 0.00 H new ATOM 0 HA LEU A 20 39.789 65.280 -44.231 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.726 67.953 -42.758 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.817 66.537 -42.270 1.00 0.00 H new ATOM 0 HG LEU A 20 41.717 67.114 -42.003 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.407 65.566 -40.062 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.143 66.819 -40.090 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.775 65.170 -40.650 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.416 64.744 -42.168 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.796 64.308 -42.762 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.847 65.362 -43.737 1.00 0.00 H new ATOM 333 N ARG A 21 37.340 66.118 -44.603 1.00 0.00 N ATOM 334 CA ARG A 21 36.035 66.478 -45.227 1.00 0.00 C ATOM 335 C ARG A 21 34.939 66.435 -44.166 1.00 0.00 C ATOM 336 O ARG A 21 33.786 66.192 -44.455 1.00 0.00 O ATOM 337 CB ARG A 21 35.706 65.490 -46.348 1.00 0.00 C ATOM 338 CG ARG A 21 35.982 66.143 -47.704 1.00 0.00 C ATOM 339 CD ARG A 21 34.991 65.606 -48.739 1.00 0.00 C ATOM 340 NE ARG A 21 35.246 66.257 -50.055 1.00 0.00 N ATOM 341 CZ ARG A 21 34.252 66.751 -50.742 1.00 0.00 C ATOM 342 NH1 ARG A 21 34.160 68.040 -50.921 1.00 0.00 N ATOM 343 NH2 ARG A 21 33.350 65.956 -51.250 1.00 0.00 N ATOM 0 H ARG A 21 37.308 65.334 -43.952 1.00 0.00 H new ATOM 0 HA ARG A 21 36.098 67.483 -45.645 1.00 0.00 H new ATOM 0 HB2 ARG A 21 36.307 64.587 -46.239 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.661 65.187 -46.285 1.00 0.00 H new ATOM 0 HG2 ARG A 21 35.890 67.226 -47.624 1.00 0.00 H new ATOM 0 HG3 ARG A 21 37.004 65.933 -48.020 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.094 64.525 -48.830 1.00 0.00 H new ATOM 0 HD3 ARG A 21 33.969 65.803 -48.416 1.00 0.00 H new ATOM 0 HE ARG A 21 36.197 66.317 -50.419 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.865 68.662 -50.524 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.383 68.426 -51.458 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.422 64.948 -51.110 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.574 66.343 -51.787 1.00 0.00 H new ATOM 357 N LYS A 22 35.310 66.681 -42.942 1.00 0.00 N ATOM 358 CA LYS A 22 34.329 66.674 -41.813 1.00 0.00 C ATOM 359 C LYS A 22 33.235 65.632 -42.051 1.00 0.00 C ATOM 360 O LYS A 22 32.260 65.894 -42.726 1.00 0.00 O ATOM 361 CB LYS A 22 33.668 68.049 -41.695 1.00 0.00 C ATOM 362 CG LYS A 22 34.736 69.138 -41.621 1.00 0.00 C ATOM 363 CD LYS A 22 34.094 70.500 -41.895 1.00 0.00 C ATOM 364 CE LYS A 22 33.544 70.530 -43.322 1.00 0.00 C ATOM 365 NZ LYS A 22 32.117 70.962 -43.296 1.00 0.00 N ATOM 0 H LYS A 22 36.270 66.891 -42.667 1.00 0.00 H new ATOM 0 HA LYS A 22 34.869 66.430 -40.898 1.00 0.00 H new ATOM 0 HB2 LYS A 22 33.018 68.224 -42.552 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.039 68.084 -40.805 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.205 69.136 -40.637 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.523 68.941 -42.350 1.00 0.00 H new ATOM 0 HD2 LYS A 22 33.291 70.685 -41.181 1.00 0.00 H new ATOM 0 HD3 LYS A 22 34.829 71.293 -41.761 1.00 0.00 H new ATOM 0 HE2 LYS A 22 34.131 71.214 -43.935 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.628 69.543 -43.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.743 70.982 -44.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 31.562 70.293 -42.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.050 71.912 -42.879 1.00 0.00 H new ATOM 379 N GLY A 23 33.371 64.461 -41.498 1.00 0.00 N ATOM 380 CA GLY A 23 32.313 63.432 -41.702 1.00 0.00 C ATOM 381 C GLY A 23 32.962 62.112 -42.095 1.00 0.00 C ATOM 382 O GLY A 23 32.975 61.165 -41.332 1.00 0.00 O ATOM 0 H GLY A 23 34.160 64.172 -40.919 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.731 63.306 -40.789 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.621 63.755 -42.479 1.00 0.00 H new ATOM 386 N ASP A 24 33.518 62.041 -43.269 1.00 0.00 N ATOM 387 CA ASP A 24 34.180 60.780 -43.682 1.00 0.00 C ATOM 388 C ASP A 24 35.220 60.443 -42.621 1.00 0.00 C ATOM 389 O ASP A 24 35.915 61.308 -42.141 1.00 0.00 O ATOM 390 CB ASP A 24 34.862 60.975 -45.038 1.00 0.00 C ATOM 391 CG ASP A 24 33.798 61.101 -46.130 1.00 0.00 C ATOM 392 OD1 ASP A 24 33.120 60.119 -46.386 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.680 62.177 -46.692 1.00 0.00 O ATOM 0 H ASP A 24 33.542 62.796 -43.955 1.00 0.00 H new ATOM 0 HA ASP A 24 33.453 59.973 -43.777 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.486 61.869 -45.018 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.519 60.132 -45.251 1.00 0.00 H new ATOM 398 N GLU A 25 35.328 59.212 -42.226 1.00 0.00 N ATOM 399 CA GLU A 25 36.326 58.880 -41.176 1.00 0.00 C ATOM 400 C GLU A 25 37.676 58.595 -41.822 1.00 0.00 C ATOM 401 O GLU A 25 37.792 58.477 -43.026 1.00 0.00 O ATOM 402 CB GLU A 25 35.861 57.658 -40.385 1.00 0.00 C ATOM 403 CG GLU A 25 34.447 57.902 -39.855 1.00 0.00 C ATOM 404 CD GLU A 25 33.498 56.844 -40.422 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.437 55.767 -39.853 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.850 57.129 -41.415 1.00 0.00 O ATOM 0 H GLU A 25 34.778 58.428 -42.577 1.00 0.00 H new ATOM 0 HA GLU A 25 36.425 59.726 -40.496 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.875 56.773 -41.021 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.543 57.466 -39.557 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.444 57.862 -38.766 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.108 58.899 -40.138 1.00 0.00 H new ATOM 413 N TYR A 26 38.702 58.498 -41.027 1.00 0.00 N ATOM 414 CA TYR A 26 40.051 58.237 -41.587 1.00 0.00 C ATOM 415 C TYR A 26 40.699 57.063 -40.843 1.00 0.00 C ATOM 416 O TYR A 26 40.773 57.046 -39.630 1.00 0.00 O ATOM 417 CB TYR A 26 40.902 59.498 -41.423 1.00 0.00 C ATOM 418 CG TYR A 26 40.216 60.667 -42.098 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.986 61.148 -41.619 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.811 61.273 -43.210 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.363 62.229 -42.260 1.00 0.00 C ATOM 422 CE2 TYR A 26 40.184 62.353 -43.844 1.00 0.00 C ATOM 423 CZ TYR A 26 38.961 62.828 -43.368 1.00 0.00 C ATOM 424 OH TYR A 26 38.334 63.884 -43.995 1.00 0.00 O ATOM 0 H TYR A 26 38.663 58.589 -40.012 1.00 0.00 H new ATOM 0 HA TYR A 26 39.975 57.981 -42.644 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.051 59.713 -40.365 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.889 59.342 -41.859 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.522 60.687 -40.760 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.757 60.907 -43.581 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.417 62.599 -41.894 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.647 62.818 -44.702 1.00 0.00 H new ATOM 0 HH TYR A 26 38.563 63.881 -44.948 1.00 0.00 H new ATOM 434 N PHE A 27 41.172 56.082 -41.566 1.00 0.00 N ATOM 435 CA PHE A 27 41.822 54.906 -40.918 1.00 0.00 C ATOM 436 C PHE A 27 43.328 55.140 -40.878 1.00 0.00 C ATOM 437 O PHE A 27 43.924 55.541 -41.856 1.00 0.00 O ATOM 438 CB PHE A 27 41.523 53.645 -41.733 1.00 0.00 C ATOM 439 CG PHE A 27 41.183 52.502 -40.804 1.00 0.00 C ATOM 440 CD1 PHE A 27 41.938 52.291 -39.644 1.00 0.00 C ATOM 441 CD2 PHE A 27 40.112 51.652 -41.107 1.00 0.00 C ATOM 442 CE1 PHE A 27 41.621 51.232 -38.786 1.00 0.00 C ATOM 443 CE2 PHE A 27 39.795 50.593 -40.248 1.00 0.00 C ATOM 444 CZ PHE A 27 40.549 50.383 -39.087 1.00 0.00 C ATOM 0 H PHE A 27 41.135 56.045 -42.585 1.00 0.00 H new ATOM 0 HA PHE A 27 41.438 54.779 -39.906 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.693 53.830 -42.415 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.386 53.384 -42.345 1.00 0.00 H new ATOM 0 HD1 PHE A 27 42.765 52.946 -39.411 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.531 51.813 -42.003 1.00 0.00 H new ATOM 0 HE1 PHE A 27 42.203 51.069 -37.891 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.969 49.938 -40.481 1.00 0.00 H new ATOM 0 HZ PHE A 27 40.304 49.567 -38.424 1.00 0.00 H new ATOM 454 N ILE A 28 43.946 54.915 -39.755 1.00 0.00 N ATOM 455 CA ILE A 28 45.409 55.154 -39.658 1.00 0.00 C ATOM 456 C ILE A 28 46.199 53.998 -40.253 1.00 0.00 C ATOM 457 O ILE A 28 46.432 52.989 -39.619 1.00 0.00 O ATOM 458 CB ILE A 28 45.799 55.336 -38.195 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.741 56.190 -37.480 1.00 0.00 C ATOM 460 CG2 ILE A 28 47.159 56.030 -38.123 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.191 57.265 -38.429 1.00 0.00 C ATOM 0 H ILE A 28 43.502 54.576 -38.902 1.00 0.00 H new ATOM 0 HA ILE A 28 45.645 56.055 -40.224 1.00 0.00 H new ATOM 0 HB ILE A 28 45.859 54.363 -37.707 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.928 55.555 -37.129 1.00 0.00 H new ATOM 0 HG13 ILE A 28 45.179 56.662 -36.600 1.00 0.00 H new ATOM 0 HG21 ILE A 28 47.445 56.164 -37.080 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.907 55.419 -38.628 1.00 0.00 H new ATOM 0 HG23 ILE A 28 47.097 57.003 -38.610 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.442 57.862 -37.908 1.00 0.00 H new ATOM 0 HD12 ILE A 28 45.005 57.911 -38.758 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.734 56.786 -39.295 1.00 0.00 H new ATOM 473 N LEU A 29 46.644 54.162 -41.464 1.00 0.00 N ATOM 474 CA LEU A 29 47.453 53.118 -42.118 1.00 0.00 C ATOM 475 C LEU A 29 48.780 52.983 -41.362 1.00 0.00 C ATOM 476 O LEU A 29 49.551 52.074 -41.597 1.00 0.00 O ATOM 477 CB LEU A 29 47.715 53.562 -43.554 1.00 0.00 C ATOM 478 CG LEU A 29 46.452 53.376 -44.394 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.877 51.978 -44.167 1.00 0.00 C ATOM 480 CD2 LEU A 29 45.409 54.423 -44.005 1.00 0.00 C ATOM 0 H LEU A 29 46.475 54.992 -42.033 1.00 0.00 H new ATOM 0 HA LEU A 29 46.938 52.157 -42.113 1.00 0.00 H new ATOM 0 HB2 LEU A 29 48.022 54.608 -43.570 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.534 52.982 -43.980 1.00 0.00 H new ATOM 0 HG LEU A 29 46.709 53.495 -45.447 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.977 51.853 -44.769 1.00 0.00 H new ATOM 0 HD12 LEU A 29 46.615 51.230 -44.457 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.629 51.853 -43.113 1.00 0.00 H new ATOM 0 HD21 LEU A 29 44.512 54.284 -44.608 1.00 0.00 H new ATOM 0 HD22 LEU A 29 45.158 54.312 -42.950 1.00 0.00 H new ATOM 0 HD23 LEU A 29 45.812 55.421 -44.179 1.00 0.00 H new ATOM 492 N GLU A 30 49.051 53.888 -40.453 1.00 0.00 N ATOM 493 CA GLU A 30 50.321 53.819 -39.679 1.00 0.00 C ATOM 494 C GLU A 30 50.145 54.608 -38.374 1.00 0.00 C ATOM 495 O GLU A 30 49.321 54.262 -37.550 1.00 0.00 O ATOM 496 CB GLU A 30 51.457 54.413 -40.516 1.00 0.00 C ATOM 497 CG GLU A 30 52.790 54.196 -39.797 1.00 0.00 C ATOM 498 CD GLU A 30 53.709 55.391 -40.055 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.886 55.738 -41.212 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.220 55.940 -39.093 1.00 0.00 O ATOM 0 H GLU A 30 48.443 54.672 -40.216 1.00 0.00 H new ATOM 0 HA GLU A 30 50.567 52.784 -39.443 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.482 53.944 -41.499 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.287 55.478 -40.675 1.00 0.00 H new ATOM 0 HG2 GLU A 30 52.623 54.077 -38.727 1.00 0.00 H new ATOM 0 HG3 GLU A 30 53.261 53.279 -40.150 1.00 0.00 H new ATOM 507 N GLU A 31 50.893 55.666 -38.174 1.00 0.00 N ATOM 508 CA GLU A 31 50.739 56.459 -36.918 1.00 0.00 C ATOM 509 C GLU A 31 51.975 57.344 -36.713 1.00 0.00 C ATOM 510 O GLU A 31 52.769 57.534 -37.613 1.00 0.00 O ATOM 511 CB GLU A 31 50.589 55.503 -35.730 1.00 0.00 C ATOM 512 CG GLU A 31 51.506 54.295 -35.930 1.00 0.00 C ATOM 513 CD GLU A 31 52.298 54.036 -34.647 1.00 0.00 C ATOM 514 OE1 GLU A 31 53.347 54.639 -34.490 1.00 0.00 O ATOM 515 OE2 GLU A 31 51.842 53.239 -33.843 1.00 0.00 O ATOM 0 H GLU A 31 51.599 56.012 -38.823 1.00 0.00 H new ATOM 0 HA GLU A 31 49.853 57.090 -36.992 1.00 0.00 H new ATOM 0 HB2 GLU A 31 50.842 56.016 -34.802 1.00 0.00 H new ATOM 0 HB3 GLU A 31 49.553 55.176 -35.641 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.916 53.416 -36.189 1.00 0.00 H new ATOM 0 HG3 GLU A 31 52.188 54.477 -36.760 1.00 0.00 H new ATOM 522 N SER A 32 52.142 57.886 -35.535 1.00 0.00 N ATOM 523 CA SER A 32 53.320 58.759 -35.269 1.00 0.00 C ATOM 524 C SER A 32 53.075 59.560 -33.986 1.00 0.00 C ATOM 525 O SER A 32 51.977 60.011 -33.728 1.00 0.00 O ATOM 526 CB SER A 32 53.519 59.721 -36.442 1.00 0.00 C ATOM 527 OG SER A 32 52.253 60.195 -36.881 1.00 0.00 O ATOM 0 H SER A 32 51.510 57.760 -34.744 1.00 0.00 H new ATOM 0 HA SER A 32 54.212 58.144 -35.152 1.00 0.00 H new ATOM 0 HB2 SER A 32 54.148 60.558 -36.138 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.034 59.215 -37.259 1.00 0.00 H new ATOM 0 HG SER A 32 51.940 60.900 -36.276 1.00 0.00 H new ATOM 533 N ASN A 33 54.087 59.735 -33.179 1.00 0.00 N ATOM 534 CA ASN A 33 53.912 60.503 -31.912 1.00 0.00 C ATOM 535 C ASN A 33 53.050 61.741 -32.173 1.00 0.00 C ATOM 536 O ASN A 33 52.070 61.982 -31.496 1.00 0.00 O ATOM 537 CB ASN A 33 55.282 60.937 -31.386 1.00 0.00 C ATOM 538 CG ASN A 33 55.427 60.508 -29.925 1.00 0.00 C ATOM 539 OD1 ASN A 33 54.517 60.673 -29.137 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.543 59.960 -29.527 1.00 0.00 N ATOM 0 H ASN A 33 55.029 59.379 -33.343 1.00 0.00 H new ATOM 0 HA ASN A 33 53.420 59.871 -31.172 1.00 0.00 H new ATOM 0 HB2 ASN A 33 56.073 60.489 -31.988 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.390 62.018 -31.471 1.00 0.00 H new ATOM 0 HD21 ASN A 33 56.651 59.671 -28.555 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.307 59.821 -30.188 1.00 0.00 H new ATOM 547 N LEU A 34 53.407 62.525 -33.153 1.00 0.00 N ATOM 548 CA LEU A 34 52.611 63.745 -33.468 1.00 0.00 C ATOM 549 C LEU A 34 51.116 63.411 -33.408 1.00 0.00 C ATOM 550 O LEU A 34 50.743 62.255 -33.390 1.00 0.00 O ATOM 551 CB LEU A 34 52.983 64.217 -34.877 1.00 0.00 C ATOM 552 CG LEU A 34 54.246 65.081 -34.813 1.00 0.00 C ATOM 553 CD1 LEU A 34 53.902 66.451 -34.223 1.00 0.00 C ATOM 554 CD2 LEU A 34 55.292 64.398 -33.929 1.00 0.00 C ATOM 0 H LEU A 34 54.219 62.372 -33.751 1.00 0.00 H new ATOM 0 HA LEU A 34 52.825 64.532 -32.745 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.150 63.358 -35.527 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.161 64.788 -35.309 1.00 0.00 H new ATOM 0 HG LEU A 34 54.646 65.207 -35.819 1.00 0.00 H new ATOM 0 HD11 LEU A 34 54.802 67.064 -34.178 1.00 0.00 H new ATOM 0 HD12 LEU A 34 53.159 66.942 -34.852 1.00 0.00 H new ATOM 0 HD13 LEU A 34 53.499 66.324 -33.218 1.00 0.00 H new ATOM 0 HD21 LEU A 34 56.190 65.015 -33.885 1.00 0.00 H new ATOM 0 HD22 LEU A 34 54.891 64.269 -32.924 1.00 0.00 H new ATOM 0 HD23 LEU A 34 55.542 63.423 -34.348 1.00 0.00 H new ATOM 566 N PRO A 35 50.300 64.436 -33.381 1.00 0.00 N ATOM 567 CA PRO A 35 48.835 64.279 -33.325 1.00 0.00 C ATOM 568 C PRO A 35 48.298 63.828 -34.684 1.00 0.00 C ATOM 569 O PRO A 35 47.363 63.056 -34.766 1.00 0.00 O ATOM 570 CB PRO A 35 48.331 65.679 -32.962 1.00 0.00 C ATOM 571 CG PRO A 35 49.454 66.663 -33.366 1.00 0.00 C ATOM 572 CD PRO A 35 50.757 65.842 -33.412 1.00 0.00 C ATOM 0 HA PRO A 35 48.509 63.525 -32.608 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.405 65.908 -33.490 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.116 65.751 -31.896 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.245 67.114 -34.336 1.00 0.00 H new ATOM 0 HG3 PRO A 35 49.534 67.478 -32.646 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.330 66.055 -34.314 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.402 66.070 -32.563 1.00 0.00 H new ATOM 579 N TRP A 36 48.889 64.290 -35.749 1.00 0.00 N ATOM 580 CA TRP A 36 48.417 63.870 -37.096 1.00 0.00 C ATOM 581 C TRP A 36 48.993 62.489 -37.405 1.00 0.00 C ATOM 582 O TRP A 36 49.887 62.024 -36.728 1.00 0.00 O ATOM 583 CB TRP A 36 48.904 64.872 -38.144 1.00 0.00 C ATOM 584 CG TRP A 36 50.388 65.018 -38.038 1.00 0.00 C ATOM 585 CD1 TRP A 36 51.291 64.088 -38.429 1.00 0.00 C ATOM 586 CD2 TRP A 36 51.157 66.140 -37.516 1.00 0.00 C ATOM 587 NE1 TRP A 36 52.564 64.569 -38.180 1.00 0.00 N ATOM 588 CE2 TRP A 36 52.534 65.831 -37.617 1.00 0.00 C ATOM 589 CE3 TRP A 36 50.796 67.385 -36.969 1.00 0.00 C ATOM 590 CZ2 TRP A 36 53.517 66.724 -37.193 1.00 0.00 C ATOM 591 CZ3 TRP A 36 51.784 68.286 -36.540 1.00 0.00 C ATOM 592 CH2 TRP A 36 53.142 67.956 -36.652 1.00 0.00 C ATOM 0 H TRP A 36 49.676 64.938 -35.745 1.00 0.00 H new ATOM 0 HA TRP A 36 47.328 63.834 -37.115 1.00 0.00 H new ATOM 0 HB2 TRP A 36 48.631 64.532 -39.143 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.421 65.837 -37.993 1.00 0.00 H new ATOM 0 HD1 TRP A 36 51.056 63.128 -38.864 1.00 0.00 H new ATOM 0 HE1 TRP A 36 53.420 64.055 -38.387 1.00 0.00 H new ATOM 0 HE3 TRP A 36 49.753 67.649 -36.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 54.562 66.465 -37.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 51.496 69.239 -36.121 1.00 0.00 H new ATOM 0 HH2 TRP A 36 53.897 68.653 -36.320 1.00 0.00 H new ATOM 603 N TRP A 37 48.500 61.819 -38.412 1.00 0.00 N ATOM 604 CA TRP A 37 49.054 60.471 -38.715 1.00 0.00 C ATOM 605 C TRP A 37 49.134 60.253 -40.226 1.00 0.00 C ATOM 606 O TRP A 37 49.114 61.186 -41.006 1.00 0.00 O ATOM 607 CB TRP A 37 48.162 59.393 -38.093 1.00 0.00 C ATOM 608 CG TRP A 37 47.681 59.851 -36.753 1.00 0.00 C ATOM 609 CD1 TRP A 37 46.576 60.605 -36.548 1.00 0.00 C ATOM 610 CD2 TRP A 37 48.255 59.602 -35.437 1.00 0.00 C ATOM 611 NE1 TRP A 37 46.437 60.836 -35.191 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.447 60.238 -34.465 1.00 0.00 C ATOM 613 CE3 TRP A 37 49.386 58.896 -34.997 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.750 60.173 -33.104 1.00 0.00 C ATOM 615 CZ3 TRP A 37 49.696 58.829 -33.628 1.00 0.00 C ATOM 616 CH2 TRP A 37 48.880 59.467 -32.684 1.00 0.00 C ATOM 0 H TRP A 37 47.752 62.140 -39.027 1.00 0.00 H new ATOM 0 HA TRP A 37 50.057 60.405 -38.294 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.313 59.189 -38.745 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.718 58.461 -37.992 1.00 0.00 H new ATOM 0 HD1 TRP A 37 45.911 60.967 -37.318 1.00 0.00 H new ATOM 0 HE1 TRP A 37 45.681 61.381 -34.778 1.00 0.00 H new ATOM 0 HE3 TRP A 37 50.022 58.401 -35.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.116 60.665 -32.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 50.568 58.283 -33.301 1.00 0.00 H new ATOM 0 HH2 TRP A 37 49.124 59.413 -31.633 1.00 0.00 H new ATOM 627 N ARG A 38 49.206 59.022 -40.639 1.00 0.00 N ATOM 628 CA ARG A 38 49.266 58.712 -42.094 1.00 0.00 C ATOM 629 C ARG A 38 48.075 57.820 -42.419 1.00 0.00 C ATOM 630 O ARG A 38 48.195 56.616 -42.529 1.00 0.00 O ATOM 631 CB ARG A 38 50.569 57.974 -42.414 1.00 0.00 C ATOM 632 CG ARG A 38 51.732 58.644 -41.679 1.00 0.00 C ATOM 633 CD ARG A 38 52.233 59.837 -42.493 1.00 0.00 C ATOM 634 NE ARG A 38 52.954 59.346 -43.702 1.00 0.00 N ATOM 635 CZ ARG A 38 53.147 60.145 -44.716 1.00 0.00 C ATOM 636 NH1 ARG A 38 54.302 60.732 -44.871 1.00 0.00 N ATOM 637 NH2 ARG A 38 52.186 60.357 -45.573 1.00 0.00 N ATOM 0 H ARG A 38 49.226 58.207 -40.025 1.00 0.00 H new ATOM 0 HA ARG A 38 49.235 59.627 -42.685 1.00 0.00 H new ATOM 0 HB2 ARG A 38 50.490 56.929 -42.114 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.750 57.985 -43.489 1.00 0.00 H new ATOM 0 HG2 ARG A 38 51.410 58.974 -40.692 1.00 0.00 H new ATOM 0 HG3 ARG A 38 52.540 57.929 -41.528 1.00 0.00 H new ATOM 0 HD2 ARG A 38 51.394 60.468 -42.788 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.897 60.452 -41.886 1.00 0.00 H new ATOM 0 HE ARG A 38 53.296 58.386 -43.737 1.00 0.00 H new ATOM 0 HH11 ARG A 38 55.052 60.566 -44.200 1.00 0.00 H new ATOM 0 HH12 ARG A 38 54.454 61.357 -45.663 1.00 0.00 H new ATOM 0 HH21 ARG A 38 51.283 59.898 -45.451 1.00 0.00 H new ATOM 0 HH22 ARG A 38 52.338 60.982 -46.365 1.00 0.00 H new ATOM 651 N ALA A 39 46.917 58.401 -42.529 1.00 0.00 N ATOM 652 CA ALA A 39 45.703 57.590 -42.797 1.00 0.00 C ATOM 653 C ALA A 39 45.175 57.849 -44.204 1.00 0.00 C ATOM 654 O ALA A 39 45.597 58.759 -44.888 1.00 0.00 O ATOM 655 CB ALA A 39 44.623 57.992 -41.790 1.00 0.00 C ATOM 0 H ALA A 39 46.759 59.405 -42.445 1.00 0.00 H new ATOM 0 HA ALA A 39 45.956 56.534 -42.706 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.721 57.407 -41.970 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.981 57.804 -40.778 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.396 59.052 -41.904 1.00 0.00 H new ATOM 661 N ARG A 40 44.224 57.060 -44.621 1.00 0.00 N ATOM 662 CA ARG A 40 43.617 57.250 -45.962 1.00 0.00 C ATOM 663 C ARG A 40 42.156 57.640 -45.752 1.00 0.00 C ATOM 664 O ARG A 40 41.324 56.817 -45.430 1.00 0.00 O ATOM 665 CB ARG A 40 43.699 55.947 -46.761 1.00 0.00 C ATOM 666 CG ARG A 40 42.820 56.058 -48.010 1.00 0.00 C ATOM 667 CD ARG A 40 41.783 54.934 -48.004 1.00 0.00 C ATOM 668 NE ARG A 40 41.972 54.074 -49.206 1.00 0.00 N ATOM 669 CZ ARG A 40 41.594 52.825 -49.182 1.00 0.00 C ATOM 670 NH1 ARG A 40 40.845 52.388 -48.206 1.00 0.00 N ATOM 671 NH2 ARG A 40 41.964 52.012 -50.132 1.00 0.00 N ATOM 0 H ARG A 40 43.840 56.284 -44.082 1.00 0.00 H new ATOM 0 HA ARG A 40 44.146 58.024 -46.517 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.732 55.747 -47.047 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.371 55.109 -46.146 1.00 0.00 H new ATOM 0 HG2 ARG A 40 42.322 57.027 -48.032 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.435 55.995 -48.908 1.00 0.00 H new ATOM 0 HD2 ARG A 40 41.884 54.337 -47.098 1.00 0.00 H new ATOM 0 HD3 ARG A 40 40.777 55.354 -47.999 1.00 0.00 H new ATOM 0 HE ARG A 40 42.397 54.462 -50.048 1.00 0.00 H new ATOM 0 HH11 ARG A 40 40.555 53.023 -47.462 1.00 0.00 H new ATOM 0 HH12 ARG A 40 40.550 51.412 -48.187 1.00 0.00 H new ATOM 0 HH21 ARG A 40 42.549 52.352 -50.895 1.00 0.00 H new ATOM 0 HH22 ARG A 40 41.668 51.036 -50.112 1.00 0.00 H new ATOM 685 N ASP A 41 41.847 58.895 -45.902 1.00 0.00 N ATOM 686 CA ASP A 41 40.445 59.345 -45.681 1.00 0.00 C ATOM 687 C ASP A 41 39.476 58.425 -46.419 1.00 0.00 C ATOM 688 O ASP A 41 39.870 57.511 -47.116 1.00 0.00 O ATOM 689 CB ASP A 41 40.280 60.772 -46.192 1.00 0.00 C ATOM 690 CG ASP A 41 40.401 60.791 -47.716 1.00 0.00 C ATOM 691 OD1 ASP A 41 40.664 59.743 -48.283 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.226 61.852 -48.292 1.00 0.00 O ATOM 0 H ASP A 41 42.503 59.629 -46.168 1.00 0.00 H new ATOM 0 HA ASP A 41 40.226 59.311 -44.614 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.310 61.167 -45.890 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.039 61.417 -45.749 1.00 0.00 H new ATOM 697 N LYS A 42 38.205 58.668 -46.270 1.00 0.00 N ATOM 698 CA LYS A 42 37.196 57.815 -46.958 1.00 0.00 C ATOM 699 C LYS A 42 37.192 58.138 -48.452 1.00 0.00 C ATOM 700 O LYS A 42 36.556 57.466 -49.240 1.00 0.00 O ATOM 701 CB LYS A 42 35.811 58.084 -46.371 1.00 0.00 C ATOM 702 CG LYS A 42 34.934 56.841 -46.542 1.00 0.00 C ATOM 703 CD LYS A 42 34.333 56.453 -45.189 1.00 0.00 C ATOM 704 CE LYS A 42 33.867 54.996 -45.235 1.00 0.00 C ATOM 705 NZ LYS A 42 32.552 54.875 -44.547 1.00 0.00 N ATOM 0 H LYS A 42 37.820 59.422 -45.701 1.00 0.00 H new ATOM 0 HA LYS A 42 37.449 56.765 -46.814 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.895 58.340 -45.315 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.352 58.937 -46.870 1.00 0.00 H new ATOM 0 HG2 LYS A 42 34.140 57.039 -47.262 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.526 56.017 -46.939 1.00 0.00 H new ATOM 0 HD2 LYS A 42 35.073 56.584 -44.400 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.494 57.107 -44.951 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.781 54.663 -46.269 1.00 0.00 H new ATOM 0 HE3 LYS A 42 34.603 54.352 -44.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 32.234 53.885 -44.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 32.649 55.177 -43.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.853 55.478 -45.026 1.00 0.00 H new ATOM 719 N ASN A 43 37.903 59.157 -48.850 1.00 0.00 N ATOM 720 CA ASN A 43 37.946 59.515 -50.293 1.00 0.00 C ATOM 721 C ASN A 43 38.932 58.590 -51.012 1.00 0.00 C ATOM 722 O ASN A 43 39.209 58.753 -52.183 1.00 0.00 O ATOM 723 CB ASN A 43 38.399 60.969 -50.449 1.00 0.00 C ATOM 724 CG ASN A 43 37.353 61.749 -51.249 1.00 0.00 C ATOM 725 OD1 ASN A 43 36.743 61.217 -52.155 1.00 0.00 O ATOM 726 ND2 ASN A 43 37.118 62.998 -50.949 1.00 0.00 N ATOM 0 H ASN A 43 38.456 59.756 -48.237 1.00 0.00 H new ATOM 0 HA ASN A 43 36.953 59.401 -50.728 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.536 61.425 -49.469 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.363 61.008 -50.956 1.00 0.00 H new ATOM 0 HD21 ASN A 43 36.422 63.527 -51.475 1.00 0.00 H new ATOM 0 HD22 ASN A 43 37.630 63.445 -50.188 1.00 0.00 H new ATOM 733 N GLY A 44 39.462 57.618 -50.317 1.00 0.00 N ATOM 734 CA GLY A 44 40.425 56.685 -50.961 1.00 0.00 C ATOM 735 C GLY A 44 41.737 57.415 -51.243 1.00 0.00 C ATOM 736 O GLY A 44 42.331 57.260 -52.291 1.00 0.00 O ATOM 0 H GLY A 44 39.268 57.432 -49.333 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.606 55.828 -50.312 1.00 0.00 H new ATOM 0 HA3 GLY A 44 40.006 56.298 -51.890 1.00 0.00 H new ATOM 740 N GLN A 45 42.202 58.207 -50.314 1.00 0.00 N ATOM 741 CA GLN A 45 43.472 58.934 -50.534 1.00 0.00 C ATOM 742 C GLN A 45 44.310 58.843 -49.265 1.00 0.00 C ATOM 743 O GLN A 45 43.864 59.211 -48.197 1.00 0.00 O ATOM 744 CB GLN A 45 43.173 60.401 -50.847 1.00 0.00 C ATOM 745 CG GLN A 45 44.310 60.988 -51.684 1.00 0.00 C ATOM 746 CD GLN A 45 44.067 60.682 -53.163 1.00 0.00 C ATOM 747 OE1 GLN A 45 44.446 59.635 -53.649 1.00 0.00 O ATOM 748 NE2 GLN A 45 43.444 61.559 -53.903 1.00 0.00 N ATOM 0 H GLN A 45 41.753 58.378 -49.414 1.00 0.00 H new ATOM 0 HA GLN A 45 44.015 58.494 -51.371 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.230 60.483 -51.387 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.060 60.965 -49.921 1.00 0.00 H new ATOM 0 HG2 GLN A 45 44.370 62.065 -51.530 1.00 0.00 H new ATOM 0 HG3 GLN A 45 45.264 60.567 -51.367 1.00 0.00 H new ATOM 0 HE21 GLN A 45 43.126 62.438 -53.494 1.00 0.00 H new ATOM 0 HE22 GLN A 45 43.275 61.365 -54.890 1.00 0.00 H new ATOM 757 N GLU A 46 45.515 58.354 -49.373 1.00 0.00 N ATOM 758 CA GLU A 46 46.388 58.241 -48.172 1.00 0.00 C ATOM 759 C GLU A 46 47.094 59.577 -47.962 1.00 0.00 C ATOM 760 O GLU A 46 47.532 60.207 -48.903 1.00 0.00 O ATOM 761 CB GLU A 46 47.418 57.135 -48.396 1.00 0.00 C ATOM 762 CG GLU A 46 46.761 55.979 -49.151 1.00 0.00 C ATOM 763 CD GLU A 46 47.748 54.816 -49.266 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.291 54.423 -48.247 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.944 54.338 -50.371 1.00 0.00 O ATOM 0 H GLU A 46 45.933 58.027 -50.244 1.00 0.00 H new ATOM 0 HA GLU A 46 45.794 57.995 -47.292 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.265 57.520 -48.963 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.807 56.786 -47.440 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.861 55.655 -48.629 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.453 56.308 -50.144 1.00 0.00 H new ATOM 772 N GLY A 47 47.195 60.035 -46.745 1.00 0.00 N ATOM 773 CA GLY A 47 47.856 61.345 -46.521 1.00 0.00 C ATOM 774 C GLY A 47 47.945 61.664 -45.027 1.00 0.00 C ATOM 775 O GLY A 47 47.606 60.860 -44.180 1.00 0.00 O ATOM 0 H GLY A 47 46.852 59.564 -45.908 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.856 61.331 -46.954 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.299 62.130 -47.032 1.00 0.00 H new ATOM 779 N TYR A 48 48.400 62.848 -44.710 1.00 0.00 N ATOM 780 CA TYR A 48 48.520 63.258 -43.283 1.00 0.00 C ATOM 781 C TYR A 48 47.142 63.704 -42.783 1.00 0.00 C ATOM 782 O TYR A 48 46.412 64.388 -43.468 1.00 0.00 O ATOM 783 CB TYR A 48 49.556 64.403 -43.182 1.00 0.00 C ATOM 784 CG TYR A 48 49.086 65.513 -42.257 1.00 0.00 C ATOM 785 CD1 TYR A 48 48.010 66.331 -42.628 1.00 0.00 C ATOM 786 CD2 TYR A 48 49.735 65.729 -41.036 1.00 0.00 C ATOM 787 CE1 TYR A 48 47.584 67.359 -41.780 1.00 0.00 C ATOM 788 CE2 TYR A 48 49.309 66.760 -40.188 1.00 0.00 C ATOM 789 CZ TYR A 48 48.233 67.574 -40.561 1.00 0.00 C ATOM 790 OH TYR A 48 47.814 68.589 -39.725 1.00 0.00 O ATOM 0 H TYR A 48 48.695 63.553 -45.386 1.00 0.00 H new ATOM 0 HA TYR A 48 48.860 62.429 -42.662 1.00 0.00 H new ATOM 0 HB2 TYR A 48 50.503 64.004 -42.819 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.742 64.812 -44.175 1.00 0.00 H new ATOM 0 HD1 TYR A 48 47.509 66.167 -43.571 1.00 0.00 H new ATOM 0 HD2 TYR A 48 50.565 65.101 -40.747 1.00 0.00 H new ATOM 0 HE1 TYR A 48 46.753 67.987 -42.067 1.00 0.00 H new ATOM 0 HE2 TYR A 48 49.811 66.927 -39.246 1.00 0.00 H new ATOM 0 HH TYR A 48 48.372 68.600 -38.919 1.00 0.00 H new ATOM 800 N ILE A 49 46.783 63.328 -41.595 1.00 0.00 N ATOM 801 CA ILE A 49 45.456 63.733 -41.061 1.00 0.00 C ATOM 802 C ILE A 49 45.640 64.226 -39.619 1.00 0.00 C ATOM 803 O ILE A 49 46.240 63.545 -38.815 1.00 0.00 O ATOM 804 CB ILE A 49 44.537 62.522 -41.103 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.120 62.255 -42.548 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.294 62.757 -40.240 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.283 61.579 -43.276 1.00 0.00 C ATOM 0 H ILE A 49 47.349 62.757 -40.968 1.00 0.00 H new ATOM 0 HA ILE A 49 45.018 64.536 -41.654 1.00 0.00 H new ATOM 0 HB ILE A 49 45.072 61.659 -40.708 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.236 61.618 -42.575 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.855 63.189 -43.044 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.650 61.879 -40.284 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.596 62.935 -39.208 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.751 63.625 -40.613 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.000 61.382 -44.310 1.00 0.00 H new ATOM 0 HD12 ILE A 49 46.154 62.234 -43.257 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.525 60.639 -42.781 1.00 0.00 H new ATOM 819 N PRO A 50 45.142 65.409 -39.341 1.00 0.00 N ATOM 820 CA PRO A 50 45.271 66.031 -38.007 1.00 0.00 C ATOM 821 C PRO A 50 44.316 65.394 -36.994 1.00 0.00 C ATOM 822 O PRO A 50 43.326 64.788 -37.352 1.00 0.00 O ATOM 823 CB PRO A 50 44.904 67.497 -38.258 1.00 0.00 C ATOM 824 CG PRO A 50 44.061 67.520 -39.555 1.00 0.00 C ATOM 825 CD PRO A 50 44.400 66.228 -40.321 1.00 0.00 C ATOM 0 HA PRO A 50 46.267 65.905 -37.583 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.339 67.905 -37.420 1.00 0.00 H new ATOM 0 HB3 PRO A 50 45.800 68.109 -38.366 1.00 0.00 H new ATOM 0 HG2 PRO A 50 42.997 67.566 -39.325 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.296 68.399 -40.155 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.498 65.720 -40.663 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.004 66.436 -41.205 1.00 0.00 H new ATOM 832 N SER A 51 44.614 65.527 -35.728 1.00 0.00 N ATOM 833 CA SER A 51 43.734 64.932 -34.684 1.00 0.00 C ATOM 834 C SER A 51 43.008 66.046 -33.925 1.00 0.00 C ATOM 835 O SER A 51 41.969 65.831 -33.333 1.00 0.00 O ATOM 836 CB SER A 51 44.586 64.125 -33.704 1.00 0.00 C ATOM 837 OG SER A 51 44.946 62.885 -34.300 1.00 0.00 O ATOM 0 H SER A 51 45.431 66.024 -35.373 1.00 0.00 H new ATOM 0 HA SER A 51 43.001 64.280 -35.158 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.482 64.686 -33.436 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.032 63.950 -32.782 1.00 0.00 H new ATOM 0 HG SER A 51 45.732 63.013 -34.871 1.00 0.00 H new ATOM 843 N ASN A 52 43.551 67.233 -33.930 1.00 0.00 N ATOM 844 CA ASN A 52 42.896 68.358 -33.201 1.00 0.00 C ATOM 845 C ASN A 52 41.642 68.809 -33.956 1.00 0.00 C ATOM 846 O ASN A 52 40.857 69.592 -33.459 1.00 0.00 O ATOM 847 CB ASN A 52 43.872 69.531 -33.090 1.00 0.00 C ATOM 848 CG ASN A 52 44.609 69.710 -34.420 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.185 69.198 -35.436 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.704 70.420 -34.454 1.00 0.00 N ATOM 0 H ASN A 52 44.420 67.473 -34.407 1.00 0.00 H new ATOM 0 HA ASN A 52 42.613 68.021 -32.204 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.333 70.443 -32.835 1.00 0.00 H new ATOM 0 HB3 ASN A 52 44.587 69.348 -32.288 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.204 70.545 -35.334 1.00 0.00 H new ATOM 0 HD22 ASN A 52 46.060 70.850 -33.600 1.00 0.00 H new ATOM 857 N TYR A 53 41.445 68.323 -35.151 1.00 0.00 N ATOM 858 CA TYR A 53 40.240 68.730 -35.929 1.00 0.00 C ATOM 859 C TYR A 53 39.527 67.479 -36.449 1.00 0.00 C ATOM 860 O TYR A 53 39.037 67.449 -37.560 1.00 0.00 O ATOM 861 CB TYR A 53 40.665 69.601 -37.114 1.00 0.00 C ATOM 862 CG TYR A 53 41.333 70.856 -36.606 1.00 0.00 C ATOM 863 CD1 TYR A 53 40.680 71.671 -35.673 1.00 0.00 C ATOM 864 CD2 TYR A 53 42.608 71.205 -37.069 1.00 0.00 C ATOM 865 CE1 TYR A 53 41.302 72.834 -35.204 1.00 0.00 C ATOM 866 CE2 TYR A 53 43.229 72.369 -36.600 1.00 0.00 C ATOM 867 CZ TYR A 53 42.576 73.184 -35.668 1.00 0.00 C ATOM 868 OH TYR A 53 43.187 74.331 -35.206 1.00 0.00 O ATOM 0 H TYR A 53 42.064 67.663 -35.622 1.00 0.00 H new ATOM 0 HA TYR A 53 39.566 69.296 -35.286 1.00 0.00 H new ATOM 0 HB2 TYR A 53 41.349 69.048 -37.758 1.00 0.00 H new ATOM 0 HB3 TYR A 53 39.796 69.859 -37.719 1.00 0.00 H new ATOM 0 HD1 TYR A 53 39.697 71.402 -35.315 1.00 0.00 H new ATOM 0 HD2 TYR A 53 43.112 70.576 -37.788 1.00 0.00 H new ATOM 0 HE1 TYR A 53 40.799 73.462 -34.484 1.00 0.00 H new ATOM 0 HE2 TYR A 53 44.212 72.638 -36.957 1.00 0.00 H new ATOM 0 HH TYR A 53 44.067 74.426 -35.628 1.00 0.00 H new ATOM 878 N VAL A 54 39.474 66.447 -35.653 1.00 0.00 N ATOM 879 CA VAL A 54 38.808 65.188 -36.093 1.00 0.00 C ATOM 880 C VAL A 54 38.230 64.466 -34.886 1.00 0.00 C ATOM 881 O VAL A 54 37.756 65.073 -33.948 1.00 0.00 O ATOM 882 CB VAL A 54 39.836 64.297 -36.781 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.566 65.100 -37.852 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.824 63.791 -35.737 1.00 0.00 C ATOM 0 H VAL A 54 39.865 66.421 -34.711 1.00 0.00 H new ATOM 0 HA VAL A 54 38.001 65.422 -36.787 1.00 0.00 H new ATOM 0 HB VAL A 54 39.343 63.448 -37.254 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.302 64.464 -38.345 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.848 65.462 -38.588 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.071 65.948 -37.390 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.565 63.152 -36.217 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.324 64.639 -35.269 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.290 63.220 -34.977 1.00 0.00 H new ATOM 894 N THR A 55 38.240 63.171 -34.921 1.00 0.00 N ATOM 895 CA THR A 55 37.668 62.395 -33.808 1.00 0.00 C ATOM 896 C THR A 55 38.179 60.951 -33.928 1.00 0.00 C ATOM 897 O THR A 55 38.976 60.658 -34.788 1.00 0.00 O ATOM 898 CB THR A 55 36.140 62.512 -33.919 1.00 0.00 C ATOM 899 OG1 THR A 55 35.708 63.616 -33.136 1.00 0.00 O ATOM 900 CG2 THR A 55 35.415 61.251 -33.439 1.00 0.00 C ATOM 0 H THR A 55 38.625 62.614 -35.684 1.00 0.00 H new ATOM 0 HA THR A 55 37.965 62.760 -32.825 1.00 0.00 H new ATOM 0 HB THR A 55 35.896 62.650 -34.972 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.178 64.426 -33.425 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.339 61.390 -33.540 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.729 60.399 -34.042 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.661 61.066 -32.393 1.00 0.00 H new ATOM 908 N GLU A 56 37.763 60.063 -33.072 1.00 0.00 N ATOM 909 CA GLU A 56 38.260 58.658 -33.139 1.00 0.00 C ATOM 910 C GLU A 56 39.785 58.649 -32.962 1.00 0.00 C ATOM 911 O GLU A 56 40.292 59.131 -31.969 1.00 0.00 O ATOM 912 CB GLU A 56 37.857 58.024 -34.469 1.00 0.00 C ATOM 913 CG GLU A 56 36.345 57.785 -34.483 1.00 0.00 C ATOM 914 CD GLU A 56 36.046 56.379 -33.964 1.00 0.00 C ATOM 915 OE1 GLU A 56 36.556 56.036 -32.910 1.00 0.00 O ATOM 916 OE2 GLU A 56 35.310 55.667 -34.629 1.00 0.00 O ATOM 0 H GLU A 56 37.096 60.249 -32.323 1.00 0.00 H new ATOM 0 HA GLU A 56 37.813 58.070 -32.337 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.141 58.676 -35.295 1.00 0.00 H new ATOM 0 HB3 GLU A 56 38.386 57.082 -34.610 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.843 58.527 -33.863 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.957 57.901 -35.495 1.00 0.00 H new ATOM 923 N ALA A 57 40.524 58.100 -33.893 1.00 0.00 N ATOM 924 CA ALA A 57 42.007 58.067 -33.745 1.00 0.00 C ATOM 925 C ALA A 57 42.576 59.492 -33.771 1.00 0.00 C ATOM 926 O ALA A 57 43.398 59.826 -34.601 1.00 0.00 O ATOM 927 CB ALA A 57 42.607 57.263 -34.898 1.00 0.00 C ATOM 0 H ALA A 57 40.163 57.674 -34.747 1.00 0.00 H new ATOM 0 HA ALA A 57 42.260 57.602 -32.792 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.692 57.235 -34.796 1.00 0.00 H new ATOM 0 HB2 ALA A 57 42.214 56.247 -34.876 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.344 57.733 -35.845 1.00 0.00 H new ATOM 933 N GLU A 58 42.154 60.333 -32.867 1.00 0.00 N ATOM 934 CA GLU A 58 42.677 61.728 -32.845 1.00 0.00 C ATOM 935 C GLU A 58 43.809 61.833 -31.822 1.00 0.00 C ATOM 936 O GLU A 58 44.855 61.254 -32.062 1.00 0.00 O ATOM 937 CB GLU A 58 41.551 62.689 -32.460 1.00 0.00 C ATOM 938 CG GLU A 58 40.947 62.259 -31.121 1.00 0.00 C ATOM 939 CD GLU A 58 40.576 63.499 -30.306 1.00 0.00 C ATOM 940 OE1 GLU A 58 41.354 64.438 -30.305 1.00 0.00 O ATOM 941 OE2 GLU A 58 39.519 63.488 -29.697 1.00 0.00 O ATOM 942 OXT GLU A 58 43.610 62.492 -30.814 1.00 0.00 O ATOM 0 H GLU A 58 41.470 60.114 -32.143 1.00 0.00 H new ATOM 0 HA GLU A 58 43.056 61.989 -33.833 1.00 0.00 H new ATOM 0 HB2 GLU A 58 41.936 63.706 -32.387 1.00 0.00 H new ATOM 0 HB3 GLU A 58 40.782 62.693 -33.233 1.00 0.00 H new ATOM 0 HG2 GLU A 58 40.063 61.644 -31.290 1.00 0.00 H new ATOM 0 HG3 GLU A 58 41.660 61.647 -30.568 1.00 0.00 H new TER 949 GLU A 58