USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 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 63 HIS : no HE2:sc= 0.046 K(o=0.086,f=-0.48) USER MOD Set 1.2: A 64 HIS : no HD1:sc= 0.0403 X(o=0.086,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= -0.0637 (180deg=-1.01) USER MOD Single : A 9 ASN : amide:sc= -0.685 X(o=-0.68,f=-0.78!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.75! C(o=-2.7!,f=-4.3!) USER MOD Single : A 16 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.32) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= -0.123 (180deg=-0.305) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.37) USER MOD Single : A 60 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-3!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0416 K(o=-0.042,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.803 -47.778 15.527 1.00 1.00 N ATOM 2 CA MET A 1 41.423 -46.491 16.175 1.00 1.00 C ATOM 3 C MET A 1 41.778 -45.333 15.250 1.00 1.00 C ATOM 4 O MET A 1 41.914 -45.513 14.040 1.00 1.00 O ATOM 5 CB MET A 1 42.176 -46.350 17.500 1.00 1.00 C ATOM 6 CG MET A 1 41.855 -47.545 18.400 1.00 1.00 C ATOM 7 SD MET A 1 40.102 -47.508 18.849 1.00 1.00 S ATOM 8 CE MET A 1 39.925 -49.271 19.219 1.00 1.00 C ATOM 0 H1 MET A 1 41.111 -48.512 15.781 1.00 1.00 H new ATOM 0 H2 MET A 1 41.816 -47.656 14.494 1.00 1.00 H new ATOM 0 H3 MET A 1 42.748 -48.065 15.853 1.00 1.00 H new ATOM 0 HA MET A 1 40.350 -46.478 16.368 1.00 1.00 H new ATOM 0 HB2 MET A 1 43.249 -46.297 17.317 1.00 1.00 H new ATOM 0 HB3 MET A 1 41.891 -45.422 17.995 1.00 1.00 H new ATOM 0 HG2 MET A 1 42.090 -48.476 17.884 1.00 1.00 H new ATOM 0 HG3 MET A 1 42.472 -47.514 19.298 1.00 1.00 H new ATOM 0 HE1 MET A 1 38.899 -49.478 19.524 1.00 1.00 H new ATOM 0 HE2 MET A 1 40.164 -49.855 18.330 1.00 1.00 H new ATOM 0 HE3 MET A 1 40.605 -49.543 20.026 1.00 1.00 H new ATOM 20 N GLU A 2 41.924 -44.145 15.826 1.00 1.00 N ATOM 21 CA GLU A 2 42.264 -42.963 15.042 1.00 1.00 C ATOM 22 C GLU A 2 43.304 -42.118 15.769 1.00 1.00 C ATOM 23 O GLU A 2 42.969 -41.138 16.435 1.00 1.00 O ATOM 24 CB GLU A 2 41.008 -42.125 14.791 1.00 1.00 C ATOM 25 CG GLU A 2 39.890 -43.026 14.262 1.00 1.00 C ATOM 26 CD GLU A 2 39.121 -43.640 15.426 1.00 1.00 C ATOM 27 OE1 GLU A 2 39.646 -43.632 16.528 1.00 1.00 O ATOM 28 OE2 GLU A 2 38.017 -44.108 15.200 1.00 1.00 O ATOM 0 H GLU A 2 41.813 -43.975 16.826 1.00 1.00 H new ATOM 0 HA GLU A 2 42.680 -43.290 14.089 1.00 1.00 H new ATOM 0 HB2 GLU A 2 40.692 -41.639 15.714 1.00 1.00 H new ATOM 0 HB3 GLU A 2 41.223 -41.334 14.072 1.00 1.00 H new ATOM 0 HG2 GLU A 2 39.213 -42.448 13.633 1.00 1.00 H new ATOM 0 HG3 GLU A 2 40.311 -43.814 13.638 1.00 1.00 H new ATOM 35 N GLU A 3 44.570 -42.503 15.636 1.00 1.00 N ATOM 36 CA GLU A 3 45.652 -41.773 16.285 1.00 1.00 C ATOM 37 C GLU A 3 46.356 -40.859 15.287 1.00 1.00 C ATOM 38 O GLU A 3 47.584 -40.772 15.269 1.00 1.00 O ATOM 39 CB GLU A 3 46.662 -42.755 16.880 1.00 1.00 C ATOM 40 CG GLU A 3 46.014 -43.518 18.037 1.00 1.00 C ATOM 41 CD GLU A 3 46.293 -45.011 17.899 1.00 1.00 C ATOM 42 OE1 GLU A 3 45.776 -45.607 16.970 1.00 1.00 O ATOM 43 OE2 GLU A 3 47.021 -45.536 18.726 1.00 1.00 O ATOM 0 H GLU A 3 44.870 -43.310 15.089 1.00 1.00 H new ATOM 0 HA GLU A 3 45.226 -41.163 17.082 1.00 1.00 H new ATOM 0 HB2 GLU A 3 47.000 -43.453 16.114 1.00 1.00 H new ATOM 0 HB3 GLU A 3 47.542 -42.218 17.233 1.00 1.00 H new ATOM 0 HG2 GLU A 3 46.404 -43.153 18.987 1.00 1.00 H new ATOM 0 HG3 GLU A 3 44.939 -43.340 18.044 1.00 1.00 H new ATOM 50 N GLY A 4 45.570 -40.179 14.458 1.00 1.00 N ATOM 51 CA GLY A 4 46.128 -39.275 13.461 1.00 1.00 C ATOM 52 C GLY A 4 45.210 -39.166 12.248 1.00 1.00 C ATOM 53 O GLY A 4 44.914 -38.068 11.779 1.00 1.00 O ATOM 0 H GLY A 4 44.552 -40.237 14.457 1.00 1.00 H new ATOM 0 HA2 GLY A 4 46.274 -38.288 13.901 1.00 1.00 H new ATOM 0 HA3 GLY A 4 47.109 -39.633 13.148 1.00 1.00 H new ATOM 57 N GLY A 5 44.765 -40.312 11.746 1.00 1.00 N ATOM 58 CA GLY A 5 43.880 -40.335 10.587 1.00 1.00 C ATOM 59 C GLY A 5 44.619 -39.892 9.330 1.00 1.00 C ATOM 60 O GLY A 5 44.852 -38.701 9.121 1.00 1.00 O ATOM 0 H GLY A 5 45.000 -41.231 12.120 1.00 1.00 H new ATOM 0 HA2 GLY A 5 43.485 -41.341 10.446 1.00 1.00 H new ATOM 0 HA3 GLY A 5 43.027 -39.679 10.762 1.00 1.00 H new ATOM 64 N ASP A 6 44.987 -40.858 8.494 1.00 1.00 N ATOM 65 CA ASP A 6 45.699 -40.555 7.258 1.00 1.00 C ATOM 66 C ASP A 6 45.254 -41.493 6.139 1.00 1.00 C ATOM 67 O ASP A 6 45.854 -42.545 5.922 1.00 1.00 O ATOM 68 CB ASP A 6 47.206 -40.700 7.476 1.00 1.00 C ATOM 69 CG ASP A 6 47.963 -40.150 6.272 1.00 1.00 C ATOM 70 OD1 ASP A 6 47.506 -40.367 5.161 1.00 1.00 O ATOM 71 OD2 ASP A 6 48.987 -39.521 6.477 1.00 1.00 O ATOM 0 H ASP A 6 44.806 -41.850 8.648 1.00 1.00 H new ATOM 0 HA ASP A 6 45.469 -39.529 6.970 1.00 1.00 H new ATOM 0 HB2 ASP A 6 47.504 -40.166 8.378 1.00 1.00 H new ATOM 0 HB3 ASP A 6 47.460 -41.749 7.628 1.00 1.00 H new ATOM 76 N PHE A 7 44.198 -41.102 5.433 1.00 1.00 N ATOM 77 CA PHE A 7 43.681 -41.915 4.338 1.00 1.00 C ATOM 78 C PHE A 7 43.192 -41.029 3.197 1.00 1.00 C ATOM 79 O PHE A 7 42.100 -41.231 2.666 1.00 1.00 O ATOM 80 CB PHE A 7 42.531 -42.791 4.837 1.00 1.00 C ATOM 81 CG PHE A 7 42.994 -43.605 6.020 1.00 1.00 C ATOM 82 CD1 PHE A 7 43.858 -44.690 5.830 1.00 1.00 C ATOM 83 CD2 PHE A 7 42.559 -43.276 7.310 1.00 1.00 C ATOM 84 CE1 PHE A 7 44.287 -45.445 6.928 1.00 1.00 C ATOM 85 CE2 PHE A 7 42.989 -44.031 8.408 1.00 1.00 C ATOM 86 CZ PHE A 7 43.853 -45.115 8.217 1.00 1.00 C ATOM 0 H PHE A 7 43.687 -40.235 5.597 1.00 1.00 H new ATOM 0 HA PHE A 7 44.487 -42.550 3.969 1.00 1.00 H new ATOM 0 HB2 PHE A 7 41.682 -42.168 5.120 1.00 1.00 H new ATOM 0 HB3 PHE A 7 42.190 -43.451 4.039 1.00 1.00 H new ATOM 0 HD1 PHE A 7 44.194 -44.945 4.836 1.00 1.00 H new ATOM 0 HD2 PHE A 7 41.892 -42.440 7.458 1.00 1.00 H new ATOM 0 HE1 PHE A 7 44.953 -46.282 6.780 1.00 1.00 H new ATOM 0 HE2 PHE A 7 42.654 -43.777 9.403 1.00 1.00 H new ATOM 0 HZ PHE A 7 44.185 -45.697 9.064 1.00 1.00 H new ATOM 96 N ASP A 8 44.006 -40.047 2.826 1.00 1.00 N ATOM 97 CA ASP A 8 43.645 -39.135 1.748 1.00 1.00 C ATOM 98 C ASP A 8 42.235 -38.597 1.953 1.00 1.00 C ATOM 99 O ASP A 8 41.465 -38.461 1.001 1.00 1.00 O ATOM 100 CB ASP A 8 43.730 -39.860 0.404 1.00 1.00 C ATOM 101 CG ASP A 8 44.013 -38.859 -0.712 1.00 1.00 C ATOM 102 OD1 ASP A 8 44.953 -38.094 -0.569 1.00 1.00 O ATOM 103 OD2 ASP A 8 43.288 -38.874 -1.692 1.00 1.00 O ATOM 0 H ASP A 8 44.914 -39.863 3.253 1.00 1.00 H new ATOM 0 HA ASP A 8 44.343 -38.298 1.753 1.00 1.00 H new ATOM 0 HB2 ASP A 8 44.518 -40.613 0.437 1.00 1.00 H new ATOM 0 HB3 ASP A 8 42.796 -40.385 0.205 1.00 1.00 H new ATOM 108 N ASN A 9 41.903 -38.293 3.202 1.00 1.00 N ATOM 109 CA ASN A 9 40.581 -37.769 3.526 1.00 1.00 C ATOM 110 C ASN A 9 40.688 -36.640 4.548 1.00 1.00 C ATOM 111 O ASN A 9 39.921 -36.585 5.509 1.00 1.00 O ATOM 112 CB ASN A 9 39.700 -38.886 4.088 1.00 1.00 C ATOM 113 CG ASN A 9 38.229 -38.511 3.946 1.00 1.00 C ATOM 114 OD1 ASN A 9 37.847 -37.374 4.224 1.00 1.00 O ATOM 115 ND2 ASN A 9 37.375 -39.404 3.525 1.00 1.00 N ATOM 0 H ASN A 9 42.526 -38.399 4.003 1.00 1.00 H new ATOM 0 HA ASN A 9 40.132 -37.377 2.613 1.00 1.00 H new ATOM 0 HB2 ASN A 9 39.899 -39.818 3.559 1.00 1.00 H new ATOM 0 HB3 ASN A 9 39.941 -39.057 5.137 1.00 1.00 H new ATOM 0 HD21 ASN A 9 36.390 -39.160 3.426 1.00 1.00 H new ATOM 0 HD22 ASN A 9 37.693 -40.345 3.295 1.00 1.00 H new ATOM 122 N TYR A 10 41.643 -35.742 4.331 1.00 1.00 N ATOM 123 CA TYR A 10 41.840 -34.618 5.240 1.00 1.00 C ATOM 124 C TYR A 10 40.566 -33.786 5.348 1.00 1.00 C ATOM 125 O TYR A 10 40.323 -32.897 4.532 1.00 1.00 O ATOM 126 CB TYR A 10 42.987 -33.737 4.739 1.00 1.00 C ATOM 127 CG TYR A 10 44.211 -34.589 4.505 1.00 1.00 C ATOM 128 CD1 TYR A 10 44.940 -35.080 5.593 1.00 1.00 C ATOM 129 CD2 TYR A 10 44.616 -34.888 3.198 1.00 1.00 C ATOM 130 CE1 TYR A 10 46.075 -35.871 5.376 1.00 1.00 C ATOM 131 CE2 TYR A 10 45.751 -35.678 2.981 1.00 1.00 C ATOM 132 CZ TYR A 10 46.481 -36.169 4.070 1.00 1.00 C ATOM 133 OH TYR A 10 47.600 -36.948 3.855 1.00 1.00 O ATOM 0 H TYR A 10 42.288 -35.769 3.541 1.00 1.00 H new ATOM 0 HA TYR A 10 42.088 -35.011 6.226 1.00 1.00 H new ATOM 0 HB2 TYR A 10 42.698 -33.236 3.815 1.00 1.00 H new ATOM 0 HB3 TYR A 10 43.207 -32.958 5.469 1.00 1.00 H new ATOM 0 HD1 TYR A 10 44.627 -34.849 6.601 1.00 1.00 H new ATOM 0 HD2 TYR A 10 44.053 -34.509 2.358 1.00 1.00 H new ATOM 0 HE1 TYR A 10 46.637 -36.251 6.216 1.00 1.00 H new ATOM 0 HE2 TYR A 10 46.064 -35.909 1.973 1.00 1.00 H new ATOM 0 HH TYR A 10 47.741 -37.059 2.892 1.00 1.00 H new ATOM 143 N TYR A 11 39.757 -34.081 6.360 1.00 1.00 N ATOM 144 CA TYR A 11 38.510 -33.353 6.565 1.00 1.00 C ATOM 145 C TYR A 11 38.770 -31.851 6.625 1.00 1.00 C ATOM 146 O TYR A 11 39.905 -31.402 6.468 1.00 1.00 O ATOM 147 CB TYR A 11 37.846 -33.811 7.865 1.00 1.00 C ATOM 148 CG TYR A 11 38.127 -32.804 8.955 1.00 1.00 C ATOM 149 CD1 TYR A 11 39.394 -32.754 9.552 1.00 1.00 C ATOM 150 CD2 TYR A 11 37.124 -31.921 9.368 1.00 1.00 C ATOM 151 CE1 TYR A 11 39.654 -31.821 10.563 1.00 1.00 C ATOM 152 CE2 TYR A 11 37.384 -30.987 10.379 1.00 1.00 C ATOM 153 CZ TYR A 11 38.649 -30.937 10.976 1.00 1.00 C ATOM 154 OH TYR A 11 38.907 -30.017 11.971 1.00 1.00 O ATOM 0 H TYR A 11 39.940 -34.813 7.046 1.00 1.00 H new ATOM 0 HA TYR A 11 37.847 -33.562 5.726 1.00 1.00 H new ATOM 0 HB2 TYR A 11 36.771 -33.915 7.720 1.00 1.00 H new ATOM 0 HB3 TYR A 11 38.225 -34.791 8.154 1.00 1.00 H new ATOM 0 HD1 TYR A 11 40.169 -33.435 9.232 1.00 1.00 H new ATOM 0 HD2 TYR A 11 36.148 -31.959 8.907 1.00 1.00 H new ATOM 0 HE1 TYR A 11 40.630 -31.783 11.025 1.00 1.00 H new ATOM 0 HE2 TYR A 11 36.609 -30.306 10.698 1.00 1.00 H new ATOM 0 HH TYR A 11 38.104 -29.480 12.136 1.00 1.00 H new ATOM 164 N GLY A 12 37.712 -31.081 6.852 1.00 1.00 N ATOM 165 CA GLY A 12 37.838 -29.631 6.931 1.00 1.00 C ATOM 166 C GLY A 12 36.559 -28.947 6.460 1.00 1.00 C ATOM 167 O GLY A 12 36.236 -28.963 5.273 1.00 1.00 O ATOM 0 H GLY A 12 36.764 -31.433 6.984 1.00 1.00 H new ATOM 0 HA2 GLY A 12 38.056 -29.336 7.958 1.00 1.00 H new ATOM 0 HA3 GLY A 12 38.678 -29.301 6.320 1.00 1.00 H new ATOM 171 N ALA A 13 35.835 -28.346 7.398 1.00 1.00 N ATOM 172 CA ALA A 13 34.592 -27.658 7.068 1.00 1.00 C ATOM 173 C ALA A 13 34.879 -26.373 6.297 1.00 1.00 C ATOM 174 O ALA A 13 34.735 -25.273 6.831 1.00 1.00 O ATOM 175 CB ALA A 13 33.821 -27.327 8.347 1.00 1.00 C ATOM 0 H ALA A 13 36.085 -28.321 8.387 1.00 1.00 H new ATOM 0 HA ALA A 13 33.990 -28.317 6.442 1.00 1.00 H new ATOM 0 HB1 ALA A 13 32.894 -26.813 8.091 1.00 1.00 H new ATOM 0 HB2 ALA A 13 33.589 -28.249 8.881 1.00 1.00 H new ATOM 0 HB3 ALA A 13 34.429 -26.683 8.982 1.00 1.00 H new ATOM 181 N ASP A 14 35.287 -26.522 5.041 1.00 1.00 N ATOM 182 CA ASP A 14 35.591 -25.365 4.207 1.00 1.00 C ATOM 183 C ASP A 14 34.443 -24.362 4.238 1.00 1.00 C ATOM 184 O ASP A 14 33.552 -24.397 3.390 1.00 1.00 O ATOM 185 CB ASP A 14 35.841 -25.812 2.764 1.00 1.00 C ATOM 186 CG ASP A 14 35.704 -24.623 1.819 1.00 1.00 C ATOM 187 OD1 ASP A 14 36.680 -23.909 1.652 1.00 1.00 O ATOM 188 OD2 ASP A 14 34.627 -24.444 1.276 1.00 1.00 O ATOM 0 H ASP A 14 35.414 -27.424 4.582 1.00 1.00 H new ATOM 0 HA ASP A 14 36.487 -24.885 4.600 1.00 1.00 H new ATOM 0 HB2 ASP A 14 36.838 -26.244 2.676 1.00 1.00 H new ATOM 0 HB3 ASP A 14 35.130 -26.591 2.487 1.00 1.00 H new ATOM 193 N ASN A 15 34.470 -23.470 5.223 1.00 1.00 N ATOM 194 CA ASN A 15 33.425 -22.461 5.355 1.00 1.00 C ATOM 195 C ASN A 15 33.966 -21.212 6.041 1.00 1.00 C ATOM 196 O ASN A 15 33.579 -20.093 5.708 1.00 1.00 O ATOM 197 CB ASN A 15 32.255 -23.023 6.165 1.00 1.00 C ATOM 198 CG ASN A 15 31.592 -24.164 5.400 1.00 1.00 C ATOM 199 OD1 ASN A 15 31.348 -24.048 4.198 1.00 1.00 O ATOM 200 ND2 ASN A 15 31.284 -25.266 6.027 1.00 1.00 N ATOM 0 H ASN A 15 35.198 -23.425 5.936 1.00 1.00 H new ATOM 0 HA ASN A 15 33.081 -22.192 4.356 1.00 1.00 H new ATOM 0 HB2 ASN A 15 32.610 -23.380 7.132 1.00 1.00 H new ATOM 0 HB3 ASN A 15 31.528 -22.236 6.363 1.00 1.00 H new ATOM 0 HD21 ASN A 15 30.840 -26.033 5.522 1.00 1.00 H new ATOM 0 HD22 ASN A 15 31.487 -25.360 7.022 1.00 1.00 H new ATOM 207 N GLN A 16 34.863 -21.411 7.002 1.00 1.00 N ATOM 208 CA GLN A 16 35.452 -20.291 7.728 1.00 1.00 C ATOM 209 C GLN A 16 36.282 -19.423 6.789 1.00 1.00 C ATOM 210 O GLN A 16 37.510 -19.386 6.885 1.00 1.00 O ATOM 211 CB GLN A 16 36.336 -20.810 8.864 1.00 1.00 C ATOM 212 CG GLN A 16 37.365 -21.793 8.301 1.00 1.00 C ATOM 213 CD GLN A 16 37.090 -23.196 8.832 1.00 1.00 C ATOM 214 OE1 GLN A 16 37.045 -23.403 10.045 1.00 1.00 O ATOM 215 NE2 GLN A 16 36.901 -24.176 7.991 1.00 1.00 N ATOM 0 H GLN A 16 35.196 -22.330 7.294 1.00 1.00 H new ATOM 0 HA GLN A 16 34.646 -19.688 8.145 1.00 1.00 H new ATOM 0 HB2 GLN A 16 36.842 -19.978 9.354 1.00 1.00 H new ATOM 0 HB3 GLN A 16 35.724 -21.301 9.620 1.00 1.00 H new ATOM 0 HG2 GLN A 16 37.323 -21.793 7.212 1.00 1.00 H new ATOM 0 HG3 GLN A 16 38.371 -21.480 8.581 1.00 1.00 H new ATOM 0 HE21 GLN A 16 36.939 -24.001 6.987 1.00 1.00 H new ATOM 0 HE22 GLN A 16 36.715 -25.117 8.338 1.00 1.00 H new ATOM 224 N SER A 17 35.606 -18.730 5.879 1.00 1.00 N ATOM 225 CA SER A 17 36.292 -17.868 4.923 1.00 1.00 C ATOM 226 C SER A 17 36.186 -16.407 5.348 1.00 1.00 C ATOM 227 O SER A 17 35.957 -15.525 4.520 1.00 1.00 O ATOM 228 CB SER A 17 35.680 -18.044 3.534 1.00 1.00 C ATOM 229 OG SER A 17 36.695 -17.884 2.550 1.00 1.00 O ATOM 0 H SER A 17 34.591 -18.748 5.783 1.00 1.00 H new ATOM 0 HA SER A 17 37.345 -18.150 4.895 1.00 1.00 H new ATOM 0 HB2 SER A 17 35.225 -19.031 3.447 1.00 1.00 H new ATOM 0 HB3 SER A 17 34.887 -17.312 3.378 1.00 1.00 H new ATOM 0 HG SER A 17 36.306 -17.998 1.658 1.00 1.00 H new ATOM 235 N GLU A 18 36.352 -16.158 6.643 1.00 1.00 N ATOM 236 CA GLU A 18 36.273 -14.799 7.166 1.00 1.00 C ATOM 237 C GLU A 18 36.957 -14.708 8.526 1.00 1.00 C ATOM 238 O GLU A 18 36.367 -15.043 9.554 1.00 1.00 O ATOM 239 CB GLU A 18 34.809 -14.376 7.301 1.00 1.00 C ATOM 240 CG GLU A 18 34.505 -13.263 6.295 1.00 1.00 C ATOM 241 CD GLU A 18 33.036 -12.864 6.387 1.00 1.00 C ATOM 242 OE1 GLU A 18 32.715 -12.055 7.243 1.00 1.00 O ATOM 243 OE2 GLU A 18 32.253 -13.373 5.602 1.00 1.00 O ATOM 0 H GLU A 18 36.541 -16.874 7.345 1.00 1.00 H new ATOM 0 HA GLU A 18 36.782 -14.132 6.470 1.00 1.00 H new ATOM 0 HB2 GLU A 18 34.155 -15.230 7.124 1.00 1.00 H new ATOM 0 HB3 GLU A 18 34.612 -14.028 8.315 1.00 1.00 H new ATOM 0 HG2 GLU A 18 35.138 -12.399 6.494 1.00 1.00 H new ATOM 0 HG3 GLU A 18 34.736 -13.601 5.285 1.00 1.00 H new ATOM 250 N CYS A 19 38.206 -14.252 8.525 1.00 1.00 N ATOM 251 CA CYS A 19 38.963 -14.121 9.765 1.00 1.00 C ATOM 252 C CYS A 19 40.254 -13.345 9.526 1.00 1.00 C ATOM 253 O CYS A 19 40.898 -13.501 8.488 1.00 1.00 O ATOM 254 CB CYS A 19 39.293 -15.506 10.325 1.00 1.00 C ATOM 255 SG CYS A 19 38.594 -15.669 11.986 1.00 1.00 S ATOM 0 H CYS A 19 38.712 -13.969 7.686 1.00 1.00 H new ATOM 0 HA CYS A 19 38.353 -13.575 10.485 1.00 1.00 H new ATOM 0 HB2 CYS A 19 38.889 -16.280 9.672 1.00 1.00 H new ATOM 0 HB3 CYS A 19 40.373 -15.648 10.358 1.00 1.00 H new ATOM 0 HG CYS A 19 38.873 -16.847 12.460 1.00 1.00 H new ATOM 261 N GLU A 20 40.627 -12.512 10.491 1.00 1.00 N ATOM 262 CA GLU A 20 41.844 -11.718 10.372 1.00 1.00 C ATOM 263 C GLU A 20 41.715 -10.706 9.238 1.00 1.00 C ATOM 264 O GLU A 20 42.683 -10.037 8.876 1.00 1.00 O ATOM 265 CB GLU A 20 43.040 -12.635 10.106 1.00 1.00 C ATOM 266 CG GLU A 20 44.186 -12.267 11.051 1.00 1.00 C ATOM 267 CD GLU A 20 45.395 -13.152 10.771 1.00 1.00 C ATOM 268 OE1 GLU A 20 45.322 -14.333 11.069 1.00 1.00 O ATOM 269 OE2 GLU A 20 46.377 -12.638 10.261 1.00 1.00 O ATOM 0 H GLU A 20 40.109 -12.369 11.358 1.00 1.00 H new ATOM 0 HA GLU A 20 41.998 -11.180 11.307 1.00 1.00 H new ATOM 0 HB2 GLU A 20 42.753 -13.676 10.253 1.00 1.00 H new ATOM 0 HB3 GLU A 20 43.363 -12.537 9.070 1.00 1.00 H new ATOM 0 HG2 GLU A 20 44.454 -11.219 10.920 1.00 1.00 H new ATOM 0 HG3 GLU A 20 43.868 -12.388 12.087 1.00 1.00 H new ATOM 276 N TYR A 21 40.512 -10.599 8.682 1.00 1.00 N ATOM 277 CA TYR A 21 40.265 -9.666 7.589 1.00 1.00 C ATOM 278 C TYR A 21 39.534 -8.426 8.096 1.00 1.00 C ATOM 279 O TYR A 21 39.561 -7.374 7.459 1.00 1.00 O ATOM 280 CB TYR A 21 39.428 -10.346 6.504 1.00 1.00 C ATOM 281 CG TYR A 21 38.711 -9.297 5.687 1.00 1.00 C ATOM 282 CD1 TYR A 21 39.327 -8.747 4.557 1.00 1.00 C ATOM 283 CD2 TYR A 21 37.429 -8.875 6.060 1.00 1.00 C ATOM 284 CE1 TYR A 21 38.663 -7.775 3.800 1.00 1.00 C ATOM 285 CE2 TYR A 21 36.764 -7.904 5.302 1.00 1.00 C ATOM 286 CZ TYR A 21 37.381 -7.354 4.172 1.00 1.00 C ATOM 287 OH TYR A 21 36.725 -6.396 3.426 1.00 1.00 O ATOM 0 H TYR A 21 39.698 -11.143 8.968 1.00 1.00 H new ATOM 0 HA TYR A 21 41.225 -9.361 7.172 1.00 1.00 H new ATOM 0 HB2 TYR A 21 40.069 -10.948 5.860 1.00 1.00 H new ATOM 0 HB3 TYR A 21 38.706 -11.024 6.959 1.00 1.00 H new ATOM 0 HD1 TYR A 21 40.316 -9.073 4.269 1.00 1.00 H new ATOM 0 HD2 TYR A 21 36.953 -9.299 6.932 1.00 1.00 H new ATOM 0 HE1 TYR A 21 39.140 -7.350 2.929 1.00 1.00 H new ATOM 0 HE2 TYR A 21 35.775 -7.579 5.589 1.00 1.00 H new ATOM 0 HH TYR A 21 35.846 -6.219 3.821 1.00 1.00 H new ATOM 297 N THR A 22 38.882 -8.560 9.247 1.00 1.00 N ATOM 298 CA THR A 22 38.147 -7.444 9.830 1.00 1.00 C ATOM 299 C THR A 22 39.019 -6.692 10.832 1.00 1.00 C ATOM 300 O THR A 22 38.865 -5.485 11.017 1.00 1.00 O ATOM 301 CB THR A 22 36.888 -7.958 10.532 1.00 1.00 C ATOM 302 OG1 THR A 22 36.083 -8.663 9.598 1.00 1.00 O ATOM 303 CG2 THR A 22 36.099 -6.778 11.100 1.00 1.00 C ATOM 0 H THR A 22 38.848 -9.423 9.790 1.00 1.00 H new ATOM 0 HA THR A 22 37.864 -6.762 9.028 1.00 1.00 H new ATOM 0 HB THR A 22 37.172 -8.626 11.345 1.00 1.00 H new ATOM 0 HG1 THR A 22 35.277 -8.995 10.046 1.00 1.00 H new ATOM 0 HG21 THR A 22 35.203 -7.146 11.599 1.00 1.00 H new ATOM 0 HG22 THR A 22 36.718 -6.238 11.817 1.00 1.00 H new ATOM 0 HG23 THR A 22 35.813 -6.108 10.289 1.00 1.00 H new ATOM 311 N ASP A 23 39.932 -7.412 11.472 1.00 1.00 N ATOM 312 CA ASP A 23 40.823 -6.800 12.451 1.00 1.00 C ATOM 313 C ASP A 23 42.171 -6.472 11.819 1.00 1.00 C ATOM 314 O ASP A 23 43.200 -6.463 12.494 1.00 1.00 O ATOM 315 CB ASP A 23 41.028 -7.741 13.637 1.00 1.00 C ATOM 316 CG ASP A 23 41.596 -9.073 13.159 1.00 1.00 C ATOM 317 OD1 ASP A 23 42.805 -9.166 13.030 1.00 1.00 O ATOM 318 OD2 ASP A 23 40.814 -9.984 12.941 1.00 1.00 O ATOM 0 H ASP A 23 40.075 -8.412 11.333 1.00 1.00 H new ATOM 0 HA ASP A 23 40.364 -5.875 12.800 1.00 1.00 H new ATOM 0 HB2 ASP A 23 41.706 -7.286 14.359 1.00 1.00 H new ATOM 0 HB3 ASP A 23 40.080 -7.904 14.149 1.00 1.00 H new ATOM 323 N TRP A 24 42.154 -6.201 10.519 1.00 1.00 N ATOM 324 CA TRP A 24 43.379 -5.871 9.798 1.00 1.00 C ATOM 325 C TRP A 24 44.099 -4.690 10.448 1.00 1.00 C ATOM 326 O TRP A 24 44.604 -4.798 11.565 1.00 1.00 O ATOM 327 CB TRP A 24 43.062 -5.550 8.331 1.00 1.00 C ATOM 328 CG TRP A 24 42.028 -4.460 8.213 1.00 1.00 C ATOM 329 CD1 TRP A 24 41.455 -3.787 9.238 1.00 1.00 C ATOM 330 CD2 TRP A 24 41.449 -3.917 6.992 1.00 1.00 C ATOM 331 NE1 TRP A 24 40.562 -2.865 8.723 1.00 1.00 N ATOM 332 CE2 TRP A 24 40.523 -2.907 7.343 1.00 1.00 C ATOM 333 CE3 TRP A 24 41.636 -4.199 5.627 1.00 1.00 C ATOM 334 CZ2 TRP A 24 39.807 -2.202 6.374 1.00 1.00 C ATOM 335 CZ3 TRP A 24 40.918 -3.492 4.650 1.00 1.00 C ATOM 336 CH2 TRP A 24 40.005 -2.495 5.023 1.00 1.00 C ATOM 0 H TRP A 24 41.311 -6.203 9.945 1.00 1.00 H new ATOM 0 HA TRP A 24 44.038 -6.738 9.840 1.00 1.00 H new ATOM 0 HB2 TRP A 24 43.975 -5.244 7.820 1.00 1.00 H new ATOM 0 HB3 TRP A 24 42.703 -6.449 7.831 1.00 1.00 H new ATOM 0 HD1 TRP A 24 41.661 -3.944 10.286 1.00 1.00 H new ATOM 0 HE1 TRP A 24 40.001 -2.232 9.293 1.00 1.00 H new ATOM 0 HE3 TRP A 24 42.337 -4.965 5.329 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 39.105 -1.435 6.667 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 41.070 -3.717 3.605 1.00 1.00 H new ATOM 0 HH2 TRP A 24 39.456 -1.954 4.266 1.00 1.00 H new ATOM 347 N LYS A 25 44.145 -3.566 9.738 1.00 1.00 N ATOM 348 CA LYS A 25 44.804 -2.369 10.248 1.00 1.00 C ATOM 349 C LYS A 25 44.156 -1.921 11.560 1.00 1.00 C ATOM 350 O LYS A 25 44.037 -2.708 12.499 1.00 1.00 O ATOM 351 CB LYS A 25 44.716 -1.255 9.197 1.00 1.00 C ATOM 352 CG LYS A 25 45.777 -0.184 9.474 1.00 1.00 C ATOM 353 CD LYS A 25 45.769 0.846 8.340 1.00 1.00 C ATOM 354 CE LYS A 25 44.395 1.516 8.261 1.00 1.00 C ATOM 355 NZ LYS A 25 44.539 2.877 7.673 1.00 1.00 N ATOM 0 H LYS A 25 43.735 -3.460 8.810 1.00 1.00 H new ATOM 0 HA LYS A 25 45.852 -2.592 10.447 1.00 1.00 H new ATOM 0 HB2 LYS A 25 44.861 -1.672 8.201 1.00 1.00 H new ATOM 0 HB3 LYS A 25 43.723 -0.807 9.213 1.00 1.00 H new ATOM 0 HG2 LYS A 25 45.575 0.306 10.426 1.00 1.00 H new ATOM 0 HG3 LYS A 25 46.762 -0.644 9.555 1.00 1.00 H new ATOM 0 HD2 LYS A 25 46.541 1.596 8.512 1.00 1.00 H new ATOM 0 HD3 LYS A 25 46.002 0.360 7.393 1.00 1.00 H new ATOM 0 HE2 LYS A 25 43.720 0.915 7.652 1.00 1.00 H new ATOM 0 HE3 LYS A 25 43.953 1.583 9.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 43.606 3.332 7.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 45.169 3.449 8.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 44.943 2.801 6.718 1.00 1.00 H new ATOM 369 N SER A 26 43.741 -0.660 11.626 1.00 1.00 N ATOM 370 CA SER A 26 43.113 -0.137 12.834 1.00 1.00 C ATOM 371 C SER A 26 44.064 -0.249 14.021 1.00 1.00 C ATOM 372 O SER A 26 43.636 -0.466 15.155 1.00 1.00 O ATOM 373 CB SER A 26 41.830 -0.912 13.131 1.00 1.00 C ATOM 374 OG SER A 26 41.126 -1.139 11.918 1.00 1.00 O ATOM 0 H SER A 26 43.827 0.013 10.865 1.00 1.00 H new ATOM 0 HA SER A 26 42.873 0.914 12.672 1.00 1.00 H new ATOM 0 HB2 SER A 26 42.068 -1.862 13.610 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.206 -0.352 13.827 1.00 1.00 H new ATOM 0 HG SER A 26 40.303 -1.638 12.106 1.00 1.00 H new ATOM 380 N SER A 27 45.357 -0.101 13.752 1.00 1.00 N ATOM 381 CA SER A 27 46.361 -0.189 14.805 1.00 1.00 C ATOM 382 C SER A 27 46.249 -1.520 15.542 1.00 1.00 C ATOM 383 O SER A 27 46.566 -1.613 16.727 1.00 1.00 O ATOM 384 CB SER A 27 46.181 0.962 15.796 1.00 1.00 C ATOM 385 OG SER A 27 47.450 1.341 16.312 1.00 1.00 O ATOM 0 H SER A 27 45.732 0.079 12.821 1.00 1.00 H new ATOM 0 HA SER A 27 47.348 -0.122 14.347 1.00 1.00 H new ATOM 0 HB2 SER A 27 45.708 1.811 15.303 1.00 1.00 H new ATOM 0 HB3 SER A 27 45.521 0.658 16.609 1.00 1.00 H new ATOM 0 HG SER A 27 47.338 2.080 16.946 1.00 1.00 H new ATOM 391 N GLY A 28 45.795 -2.547 14.830 1.00 1.00 N ATOM 392 CA GLY A 28 45.644 -3.869 15.427 1.00 1.00 C ATOM 393 C GLY A 28 44.283 -4.010 16.099 1.00 1.00 C ATOM 394 O GLY A 28 44.023 -4.989 16.797 1.00 1.00 O ATOM 0 H GLY A 28 45.527 -2.490 13.847 1.00 1.00 H new ATOM 0 HA2 GLY A 28 45.756 -4.634 14.659 1.00 1.00 H new ATOM 0 HA3 GLY A 28 46.434 -4.034 16.159 1.00 1.00 H new ATOM 398 N ALA A 29 43.418 -3.024 15.885 1.00 1.00 N ATOM 399 CA ALA A 29 42.085 -3.048 16.475 1.00 1.00 C ATOM 400 C ALA A 29 42.172 -3.273 17.982 1.00 1.00 C ATOM 401 O ALA A 29 41.561 -4.199 18.516 1.00 1.00 O ATOM 402 CB ALA A 29 41.251 -4.160 15.838 1.00 1.00 C ATOM 0 H ALA A 29 43.614 -2.204 15.311 1.00 1.00 H new ATOM 0 HA ALA A 29 41.608 -2.086 16.289 1.00 1.00 H new ATOM 0 HB1 ALA A 29 40.257 -4.171 16.285 1.00 1.00 H new ATOM 0 HB2 ALA A 29 41.165 -3.982 14.766 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.736 -5.121 16.008 1.00 1.00 H new ATOM 408 N LEU A 30 42.934 -2.419 18.658 1.00 1.00 N ATOM 409 CA LEU A 30 43.097 -2.528 20.105 1.00 1.00 C ATOM 410 C LEU A 30 42.910 -1.166 20.765 1.00 1.00 C ATOM 411 O LEU A 30 42.501 -1.077 21.922 1.00 1.00 O ATOM 412 CB LEU A 30 44.489 -3.070 20.434 1.00 1.00 C ATOM 413 CG LEU A 30 44.462 -4.599 20.405 1.00 1.00 C ATOM 414 CD1 LEU A 30 45.857 -5.128 20.064 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.040 -5.127 21.778 1.00 1.00 C ATOM 0 H LEU A 30 43.446 -1.647 18.231 1.00 1.00 H new ATOM 0 HA LEU A 30 42.342 -3.214 20.489 1.00 1.00 H new ATOM 0 HB2 LEU A 30 45.216 -2.695 19.714 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.804 -2.720 21.417 1.00 1.00 H new ATOM 0 HG LEU A 30 43.751 -4.935 19.650 1.00 1.00 H new ATOM 0 HD11 LEU A 30 45.838 -6.218 20.043 1.00 1.00 H new ATOM 0 HD12 LEU A 30 46.160 -4.752 19.087 1.00 1.00 H new ATOM 0 HD13 LEU A 30 46.568 -4.792 20.819 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.020 -6.217 21.758 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.752 -4.790 22.532 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.047 -4.751 22.023 1.00 1.00 H new ATOM 427 N ILE A 31 43.213 -0.109 20.019 1.00 1.00 N ATOM 428 CA ILE A 31 43.076 1.246 20.541 1.00 1.00 C ATOM 429 C ILE A 31 41.630 1.736 20.405 1.00 1.00 C ATOM 430 O ILE A 31 41.109 2.390 21.310 1.00 1.00 O ATOM 431 CB ILE A 31 44.054 2.186 19.807 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.226 2.530 20.738 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.358 3.480 19.347 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.771 3.479 21.855 1.00 1.00 C ATOM 0 H ILE A 31 43.552 -0.163 19.059 1.00 1.00 H new ATOM 0 HA ILE A 31 43.324 1.246 21.602 1.00 1.00 H new ATOM 0 HB ILE A 31 44.420 1.670 18.919 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.632 1.617 21.173 1.00 1.00 H new ATOM 0 HG13 ILE A 31 46.029 2.994 20.164 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.078 4.118 18.834 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.543 3.233 18.667 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.960 4.007 20.214 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.616 3.710 22.503 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.388 4.400 21.416 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.985 3.002 22.440 1.00 1.00 H new ATOM 446 N PRO A 32 40.973 1.444 19.307 1.00 1.00 N ATOM 447 CA PRO A 32 39.562 1.881 19.082 1.00 1.00 C ATOM 448 C PRO A 32 38.626 1.377 20.177 1.00 1.00 C ATOM 449 O PRO A 32 37.667 2.055 20.548 1.00 1.00 O ATOM 450 CB PRO A 32 39.191 1.276 17.724 1.00 1.00 C ATOM 451 CG PRO A 32 40.488 0.970 17.052 1.00 1.00 C ATOM 452 CD PRO A 32 41.488 0.673 18.165 1.00 1.00 C ATOM 0 HA PRO A 32 39.467 2.967 19.101 1.00 1.00 H new ATOM 0 HB2 PRO A 32 38.591 0.374 17.848 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.599 1.974 17.133 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.387 0.116 16.382 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.820 1.813 16.446 1.00 1.00 H new ATOM 0 HD2 PRO A 32 41.534 -0.393 18.389 1.00 1.00 H new ATOM 0 HD3 PRO A 32 42.496 0.985 17.892 1.00 1.00 H new ATOM 460 N ALA A 33 38.911 0.186 20.691 1.00 1.00 N ATOM 461 CA ALA A 33 38.087 -0.397 21.744 1.00 1.00 C ATOM 462 C ALA A 33 38.217 0.412 23.031 1.00 1.00 C ATOM 463 O ALA A 33 37.291 0.461 23.841 1.00 1.00 O ATOM 464 CB ALA A 33 38.514 -1.843 22.002 1.00 1.00 C ATOM 0 H ALA A 33 39.700 -0.391 20.399 1.00 1.00 H new ATOM 0 HA ALA A 33 37.047 -0.380 21.419 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.894 -2.271 22.790 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.394 -2.426 21.089 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.559 -1.864 22.312 1.00 1.00 H new ATOM 470 N ILE A 34 39.370 1.047 23.209 1.00 1.00 N ATOM 471 CA ILE A 34 39.611 1.855 24.400 1.00 1.00 C ATOM 472 C ILE A 34 38.995 3.240 24.236 1.00 1.00 C ATOM 473 O ILE A 34 38.703 3.921 25.219 1.00 1.00 O ATOM 474 CB ILE A 34 41.115 1.988 24.647 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.701 0.613 24.974 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.357 2.937 25.821 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.227 0.677 24.899 1.00 1.00 C ATOM 0 H ILE A 34 40.148 1.019 22.550 1.00 1.00 H new ATOM 0 HA ILE A 34 39.148 1.360 25.254 1.00 1.00 H new ATOM 0 HB ILE A 34 41.596 2.386 23.753 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.388 0.300 25.970 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.323 -0.131 24.273 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.428 3.032 25.997 1.00 1.00 H new ATOM 0 HG22 ILE A 34 40.939 3.917 25.589 1.00 1.00 H new ATOM 0 HG23 ILE A 34 40.876 2.540 26.715 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.644 -0.303 25.132 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.530 0.971 23.894 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.596 1.409 25.618 1.00 1.00 H new ATOM 489 N TYR A 35 38.802 3.649 22.987 1.00 1.00 N ATOM 490 CA TYR A 35 38.220 4.954 22.701 1.00 1.00 C ATOM 491 C TYR A 35 36.850 5.085 23.357 1.00 1.00 C ATOM 492 O TYR A 35 36.460 6.167 23.796 1.00 1.00 O ATOM 493 CB TYR A 35 38.087 5.147 21.190 1.00 1.00 C ATOM 494 CG TYR A 35 38.497 6.553 20.822 1.00 1.00 C ATOM 495 CD1 TYR A 35 37.567 7.595 20.897 1.00 1.00 C ATOM 496 CD2 TYR A 35 39.809 6.813 20.406 1.00 1.00 C ATOM 497 CE1 TYR A 35 37.947 8.899 20.556 1.00 1.00 C ATOM 498 CE2 TYR A 35 40.189 8.117 20.065 1.00 1.00 C ATOM 499 CZ TYR A 35 39.258 9.160 20.140 1.00 1.00 C ATOM 500 OH TYR A 35 39.632 10.445 19.805 1.00 1.00 O ATOM 0 H TYR A 35 39.039 3.099 22.161 1.00 1.00 H new ATOM 0 HA TYR A 35 38.879 5.722 23.107 1.00 1.00 H new ATOM 0 HB2 TYR A 35 38.712 4.425 20.664 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.059 4.964 20.879 1.00 1.00 H new ATOM 0 HD1 TYR A 35 36.556 7.394 21.218 1.00 1.00 H new ATOM 0 HD2 TYR A 35 40.527 6.008 20.348 1.00 1.00 H new ATOM 0 HE1 TYR A 35 37.229 9.703 20.614 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.200 8.318 19.744 1.00 1.00 H new ATOM 0 HH TYR A 35 40.575 10.452 19.539 1.00 1.00 H new ATOM 510 N MET A 36 36.124 3.974 23.420 1.00 1.00 N ATOM 511 CA MET A 36 34.798 3.974 24.026 1.00 1.00 C ATOM 512 C MET A 36 34.904 4.031 25.544 1.00 1.00 C ATOM 513 O MET A 36 34.147 4.744 26.200 1.00 1.00 O ATOM 514 CB MET A 36 34.037 2.714 23.613 1.00 1.00 C ATOM 515 CG MET A 36 33.768 2.752 22.109 1.00 1.00 C ATOM 516 SD MET A 36 31.982 2.792 21.816 1.00 1.00 S ATOM 517 CE MET A 36 31.904 4.456 21.108 1.00 1.00 C ATOM 0 H MET A 36 36.428 3.069 23.062 1.00 1.00 H new ATOM 0 HA MET A 36 34.259 4.855 23.678 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.616 1.826 23.867 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.097 2.648 24.160 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.240 3.629 21.667 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.207 1.878 21.628 1.00 1.00 H new ATOM 0 HE1 MET A 36 30.872 4.693 20.849 1.00 1.00 H new ATOM 0 HE2 MET A 36 32.271 5.179 21.837 1.00 1.00 H new ATOM 0 HE3 MET A 36 32.522 4.499 20.211 1.00 1.00 H new ATOM 527 N LEU A 37 35.849 3.278 26.096 1.00 1.00 N ATOM 528 CA LEU A 37 36.043 3.254 27.541 1.00 1.00 C ATOM 529 C LEU A 37 36.320 4.657 28.069 1.00 1.00 C ATOM 530 O LEU A 37 36.438 4.862 29.277 1.00 1.00 O ATOM 531 CB LEU A 37 37.210 2.330 27.895 1.00 1.00 C ATOM 532 CG LEU A 37 37.016 0.976 27.209 1.00 1.00 C ATOM 533 CD1 LEU A 37 38.171 0.044 27.582 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.694 0.356 27.667 1.00 1.00 C ATOM 0 H LEU A 37 36.488 2.681 25.570 1.00 1.00 H new ATOM 0 HA LEU A 37 35.131 2.880 28.006 1.00 1.00 H new ATOM 0 HB2 LEU A 37 38.152 2.778 27.578 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.268 2.197 28.975 1.00 1.00 H new ATOM 0 HG LEU A 37 36.997 1.117 26.128 1.00 1.00 H new ATOM 0 HD11 LEU A 37 38.033 -0.920 27.093 1.00 1.00 H new ATOM 0 HD12 LEU A 37 39.113 0.484 27.256 1.00 1.00 H new ATOM 0 HD13 LEU A 37 38.191 -0.096 28.663 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.556 -0.608 27.178 1.00 1.00 H new ATOM 0 HD22 LEU A 37 35.713 0.216 28.748 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.870 1.019 27.402 1.00 1.00 H new ATOM 546 N VAL A 38 36.417 5.617 27.154 1.00 1.00 N ATOM 547 CA VAL A 38 36.675 7.004 27.529 1.00 1.00 C ATOM 548 C VAL A 38 35.545 7.904 27.041 1.00 1.00 C ATOM 549 O VAL A 38 35.544 9.108 27.296 1.00 1.00 O ATOM 550 CB VAL A 38 38.000 7.470 26.921 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.244 8.935 27.289 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.141 6.612 27.470 1.00 1.00 C ATOM 0 H VAL A 38 36.321 5.461 26.151 1.00 1.00 H new ATOM 0 HA VAL A 38 36.733 7.066 28.616 1.00 1.00 H new ATOM 0 HB VAL A 38 37.957 7.370 25.836 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.188 9.267 26.856 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.431 9.548 26.900 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.287 9.035 28.374 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.085 6.943 27.038 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.183 6.713 28.554 1.00 1.00 H new ATOM 0 HG23 VAL A 38 38.969 5.568 27.209 1.00 1.00 H new ATOM 562 N PHE A 39 34.586 7.306 26.336 1.00 1.00 N ATOM 563 CA PHE A 39 33.449 8.056 25.809 1.00 1.00 C ATOM 564 C PHE A 39 32.158 7.654 26.519 1.00 1.00 C ATOM 565 O PHE A 39 31.067 8.034 26.097 1.00 1.00 O ATOM 566 CB PHE A 39 33.307 7.798 24.309 1.00 1.00 C ATOM 567 CG PHE A 39 32.431 8.864 23.696 1.00 1.00 C ATOM 568 CD1 PHE A 39 32.922 10.165 23.532 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.127 8.553 23.292 1.00 1.00 C ATOM 570 CE1 PHE A 39 32.109 11.153 22.964 1.00 1.00 C ATOM 571 CE2 PHE A 39 30.315 9.541 22.724 1.00 1.00 C ATOM 572 CZ PHE A 39 30.806 10.842 22.560 1.00 1.00 C ATOM 0 H PHE A 39 34.574 6.310 26.118 1.00 1.00 H new ATOM 0 HA PHE A 39 33.628 9.117 25.984 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.288 7.801 23.834 1.00 1.00 H new ATOM 0 HB3 PHE A 39 32.873 6.813 24.138 1.00 1.00 H new ATOM 0 HD1 PHE A 39 33.928 10.406 23.844 1.00 1.00 H new ATOM 0 HD2 PHE A 39 30.748 7.550 23.419 1.00 1.00 H new ATOM 0 HE1 PHE A 39 32.488 12.156 22.837 1.00 1.00 H new ATOM 0 HE2 PHE A 39 29.309 9.300 22.412 1.00 1.00 H new ATOM 0 HZ PHE A 39 30.179 11.605 22.122 1.00 1.00 H new ATOM 582 N LEU A 40 32.287 6.886 27.597 1.00 1.00 N ATOM 583 CA LEU A 40 31.117 6.448 28.350 1.00 1.00 C ATOM 584 C LEU A 40 31.442 6.315 29.835 1.00 1.00 C ATOM 585 O LEU A 40 30.590 6.558 30.689 1.00 1.00 O ATOM 586 CB LEU A 40 30.609 5.107 27.810 1.00 1.00 C ATOM 587 CG LEU A 40 31.722 4.058 27.881 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.471 3.124 29.066 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.733 3.242 26.586 1.00 1.00 C ATOM 0 H LEU A 40 33.180 6.557 27.965 1.00 1.00 H new ATOM 0 HA LEU A 40 30.339 7.202 28.231 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.748 4.775 28.390 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.274 5.224 26.779 1.00 1.00 H new ATOM 0 HG LEU A 40 32.683 4.557 28.009 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.264 2.378 29.115 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.459 3.703 29.989 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.510 2.625 28.939 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.525 2.494 26.634 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.771 2.745 26.461 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.911 3.905 25.740 1.00 1.00 H new ATOM 601 N LEU A 41 32.677 5.926 30.137 1.00 1.00 N ATOM 602 CA LEU A 41 33.099 5.766 31.523 1.00 1.00 C ATOM 603 C LEU A 41 32.553 6.898 32.388 1.00 1.00 C ATOM 604 O LEU A 41 32.132 6.676 33.523 1.00 1.00 O ATOM 605 CB LEU A 41 34.627 5.750 31.604 1.00 1.00 C ATOM 606 CG LEU A 41 35.110 4.316 31.814 1.00 1.00 C ATOM 607 CD1 LEU A 41 34.620 3.436 30.664 1.00 1.00 C ATOM 608 CD2 LEU A 41 36.640 4.294 31.859 1.00 1.00 C ATOM 0 H LEU A 41 33.398 5.717 29.446 1.00 1.00 H new ATOM 0 HA LEU A 41 32.704 4.821 31.895 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.055 6.159 30.689 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.965 6.383 32.424 1.00 1.00 H new ATOM 0 HG LEU A 41 34.713 3.935 32.755 1.00 1.00 H new ATOM 0 HD11 LEU A 41 34.966 2.413 30.816 1.00 1.00 H new ATOM 0 HD12 LEU A 41 33.531 3.450 30.634 1.00 1.00 H new ATOM 0 HD13 LEU A 41 35.014 3.816 29.722 1.00 1.00 H new ATOM 0 HD21 LEU A 41 36.985 3.271 32.009 1.00 1.00 H new ATOM 0 HD22 LEU A 41 37.037 4.677 30.919 1.00 1.00 H new ATOM 0 HD23 LEU A 41 36.989 4.919 32.681 1.00 1.00 H new ATOM 620 N GLY A 42 32.565 8.111 31.846 1.00 1.00 N ATOM 621 CA GLY A 42 32.068 9.268 32.580 1.00 1.00 C ATOM 622 C GLY A 42 32.277 10.552 31.786 1.00 1.00 C ATOM 623 O GLY A 42 32.807 11.535 32.303 1.00 1.00 O ATOM 0 H GLY A 42 32.910 8.317 30.909 1.00 1.00 H new ATOM 0 HA2 GLY A 42 31.007 9.138 32.795 1.00 1.00 H new ATOM 0 HA3 GLY A 42 32.581 9.342 33.539 1.00 1.00 H new ATOM 627 N THR A 43 31.854 10.537 30.525 1.00 1.00 N ATOM 628 CA THR A 43 32.000 11.708 29.667 1.00 1.00 C ATOM 629 C THR A 43 30.666 12.436 29.524 1.00 1.00 C ATOM 630 O THR A 43 30.613 13.569 29.046 1.00 1.00 O ATOM 631 CB THR A 43 32.504 11.283 28.285 1.00 1.00 C ATOM 632 OG1 THR A 43 33.191 12.370 27.680 1.00 1.00 O ATOM 633 CG2 THR A 43 31.320 10.874 27.408 1.00 1.00 C ATOM 0 H THR A 43 31.411 9.734 30.078 1.00 1.00 H new ATOM 0 HA THR A 43 32.723 12.384 30.124 1.00 1.00 H new ATOM 0 HB THR A 43 33.182 10.436 28.391 1.00 1.00 H new ATOM 0 HG1 THR A 43 33.516 12.100 26.796 1.00 1.00 H new ATOM 0 HG21 THR A 43 31.682 10.572 26.425 1.00 1.00 H new ATOM 0 HG22 THR A 43 30.794 10.040 27.873 1.00 1.00 H new ATOM 0 HG23 THR A 43 30.639 11.718 27.300 1.00 1.00 H new ATOM 641 N THR A 44 29.591 11.776 29.944 1.00 1.00 N ATOM 642 CA THR A 44 28.260 12.368 29.860 1.00 1.00 C ATOM 643 C THR A 44 27.475 12.101 31.140 1.00 1.00 C ATOM 644 O THR A 44 26.780 12.981 31.648 1.00 1.00 O ATOM 645 CB THR A 44 27.503 11.785 28.664 1.00 1.00 C ATOM 646 OG1 THR A 44 27.845 10.414 28.513 1.00 1.00 O ATOM 647 CG2 THR A 44 27.881 12.549 27.393 1.00 1.00 C ATOM 0 H THR A 44 29.614 10.838 30.343 1.00 1.00 H new ATOM 0 HA THR A 44 28.369 13.445 29.731 1.00 1.00 H new ATOM 0 HB THR A 44 26.430 11.878 28.834 1.00 1.00 H new ATOM 0 HG1 THR A 44 27.360 10.038 27.749 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.341 12.132 26.543 1.00 1.00 H new ATOM 0 HG22 THR A 44 27.619 13.601 27.509 1.00 1.00 H new ATOM 0 HG23 THR A 44 28.953 12.460 27.220 1.00 1.00 H new ATOM 655 N GLY A 45 27.589 10.881 31.653 1.00 1.00 N ATOM 656 CA GLY A 45 26.885 10.508 32.875 1.00 1.00 C ATOM 657 C GLY A 45 26.785 8.991 33.003 1.00 1.00 C ATOM 658 O GLY A 45 27.266 8.408 33.973 1.00 1.00 O ATOM 0 H GLY A 45 28.157 10.138 31.246 1.00 1.00 H new ATOM 0 HA2 GLY A 45 27.408 10.916 33.740 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.886 10.944 32.871 1.00 1.00 H new ATOM 662 N ASN A 46 26.155 8.361 32.016 1.00 1.00 N ATOM 663 CA ASN A 46 25.998 6.911 32.028 1.00 1.00 C ATOM 664 C ASN A 46 25.430 6.444 33.365 1.00 1.00 C ATOM 665 O ASN A 46 26.152 6.352 34.359 1.00 1.00 O ATOM 666 CB ASN A 46 27.349 6.236 31.782 1.00 1.00 C ATOM 667 CG ASN A 46 27.253 5.303 30.579 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.481 4.099 30.707 1.00 1.00 O ATOM 669 ND2 ASN A 46 26.929 5.788 29.413 1.00 1.00 N ATOM 0 H ASN A 46 25.748 8.827 31.205 1.00 1.00 H new ATOM 0 HA ASN A 46 25.304 6.634 31.234 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.116 6.991 31.607 1.00 1.00 H new ATOM 0 HB3 ASN A 46 27.651 5.674 32.666 1.00 1.00 H new ATOM 0 HD21 ASN A 46 26.864 5.170 28.604 1.00 1.00 H new ATOM 0 HD22 ASN A 46 26.741 6.785 29.310 1.00 1.00 H new ATOM 676 N GLY A 47 24.134 6.152 33.383 1.00 1.00 N ATOM 677 CA GLY A 47 23.480 5.696 34.603 1.00 1.00 C ATOM 678 C GLY A 47 22.010 6.101 34.618 1.00 1.00 C ATOM 679 O GLY A 47 21.123 5.251 34.700 1.00 1.00 O ATOM 0 H GLY A 47 23.519 6.222 32.572 1.00 1.00 H new ATOM 0 HA2 GLY A 47 23.563 4.612 34.681 1.00 1.00 H new ATOM 0 HA3 GLY A 47 23.986 6.118 35.471 1.00 1.00 H new ATOM 683 N LEU A 48 21.759 7.404 34.537 1.00 1.00 N ATOM 684 CA LEU A 48 20.393 7.910 34.542 1.00 1.00 C ATOM 685 C LEU A 48 20.246 9.067 33.558 1.00 1.00 C ATOM 686 O LEU A 48 19.134 9.507 33.263 1.00 1.00 O ATOM 687 CB LEU A 48 20.015 8.382 35.947 1.00 1.00 C ATOM 688 CG LEU A 48 18.493 8.373 36.098 1.00 1.00 C ATOM 689 CD1 LEU A 48 18.039 7.009 36.619 1.00 1.00 C ATOM 690 CD2 LEU A 48 18.073 9.462 37.089 1.00 1.00 C ATOM 0 H LEU A 48 22.479 8.123 34.468 1.00 1.00 H new ATOM 0 HA LEU A 48 19.726 7.103 34.239 1.00 1.00 H new ATOM 0 HB2 LEU A 48 20.469 7.731 36.695 1.00 1.00 H new ATOM 0 HB3 LEU A 48 20.402 9.386 36.121 1.00 1.00 H new ATOM 0 HG LEU A 48 18.031 8.564 35.129 1.00 1.00 H new ATOM 0 HD11 LEU A 48 16.954 7.003 36.726 1.00 1.00 H new ATOM 0 HD12 LEU A 48 18.338 6.233 35.915 1.00 1.00 H new ATOM 0 HD13 LEU A 48 18.501 6.818 37.588 1.00 1.00 H new ATOM 0 HD21 LEU A 48 16.988 9.457 37.197 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.535 9.271 38.057 1.00 1.00 H new ATOM 0 HD23 LEU A 48 18.396 10.435 36.719 1.00 1.00 H new ATOM 702 N VAL A 49 21.374 9.553 33.053 1.00 1.00 N ATOM 703 CA VAL A 49 21.359 10.660 32.103 1.00 1.00 C ATOM 704 C VAL A 49 20.816 10.200 30.754 1.00 1.00 C ATOM 705 O VAL A 49 20.502 11.017 29.889 1.00 1.00 O ATOM 706 CB VAL A 49 22.774 11.213 31.924 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.740 12.403 30.963 1.00 1.00 C ATOM 708 CG2 VAL A 49 23.318 11.669 33.280 1.00 1.00 C ATOM 0 H VAL A 49 22.304 9.202 33.283 1.00 1.00 H new ATOM 0 HA VAL A 49 20.710 11.443 32.495 1.00 1.00 H new ATOM 0 HB VAL A 49 23.419 10.435 31.516 1.00 1.00 H new ATOM 0 HG11 VAL A 49 23.748 12.797 30.836 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.352 12.080 29.997 1.00 1.00 H new ATOM 0 HG13 VAL A 49 22.095 13.182 31.371 1.00 1.00 H new ATOM 0 HG21 VAL A 49 24.326 12.063 33.154 1.00 1.00 H new ATOM 0 HG22 VAL A 49 22.673 12.447 33.688 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.343 10.822 33.966 1.00 1.00 H new ATOM 718 N LEU A 50 20.708 8.886 30.581 1.00 1.00 N ATOM 719 CA LEU A 50 20.202 8.329 29.333 1.00 1.00 C ATOM 720 C LEU A 50 18.700 8.076 29.429 1.00 1.00 C ATOM 721 O LEU A 50 17.985 8.141 28.430 1.00 1.00 O ATOM 722 CB LEU A 50 20.923 7.018 29.015 1.00 1.00 C ATOM 723 CG LEU A 50 22.410 7.159 29.348 1.00 1.00 C ATOM 724 CD1 LEU A 50 23.163 5.922 28.857 1.00 1.00 C ATOM 725 CD2 LEU A 50 22.969 8.404 28.656 1.00 1.00 C ATOM 0 H LEU A 50 20.962 8.192 31.284 1.00 1.00 H new ATOM 0 HA LEU A 50 20.388 9.048 28.535 1.00 1.00 H new ATOM 0 HB2 LEU A 50 20.486 6.202 29.591 1.00 1.00 H new ATOM 0 HB3 LEU A 50 20.798 6.768 27.962 1.00 1.00 H new ATOM 0 HG LEU A 50 22.534 7.254 30.427 1.00 1.00 H new ATOM 0 HD11 LEU A 50 24.222 6.023 29.094 1.00 1.00 H new ATOM 0 HD12 LEU A 50 22.764 5.034 29.348 1.00 1.00 H new ATOM 0 HD13 LEU A 50 23.040 5.826 27.778 1.00 1.00 H new ATOM 0 HD21 LEU A 50 24.028 8.507 28.892 1.00 1.00 H new ATOM 0 HD22 LEU A 50 22.845 8.307 27.577 1.00 1.00 H new ATOM 0 HD23 LEU A 50 22.432 9.286 29.005 1.00 1.00 H new ATOM 737 N TRP A 51 18.232 7.785 30.639 1.00 1.00 N ATOM 738 CA TRP A 51 16.814 7.524 30.854 1.00 1.00 C ATOM 739 C TRP A 51 15.992 8.786 30.609 1.00 1.00 C ATOM 740 O TRP A 51 14.762 8.742 30.588 1.00 1.00 O ATOM 741 CB TRP A 51 16.585 7.034 32.285 1.00 1.00 C ATOM 742 CG TRP A 51 15.540 7.878 32.941 1.00 1.00 C ATOM 743 CD1 TRP A 51 15.749 9.110 33.459 1.00 1.00 C ATOM 744 CD2 TRP A 51 14.131 7.577 33.158 1.00 1.00 C ATOM 745 NE1 TRP A 51 14.559 9.584 33.980 1.00 1.00 N ATOM 746 CE2 TRP A 51 13.533 8.676 33.819 1.00 1.00 C ATOM 747 CE3 TRP A 51 13.322 6.468 32.848 1.00 1.00 C ATOM 748 CZ2 TRP A 51 12.180 8.675 34.160 1.00 1.00 C ATOM 749 CZ3 TRP A 51 11.960 6.465 33.190 1.00 1.00 C ATOM 750 CH2 TRP A 51 11.390 7.565 33.845 1.00 1.00 C ATOM 0 H TRP A 51 18.808 7.724 31.478 1.00 1.00 H new ATOM 0 HA TRP A 51 16.495 6.755 30.150 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.272 5.990 32.277 1.00 1.00 H new ATOM 0 HB3 TRP A 51 17.515 7.084 32.851 1.00 1.00 H new ATOM 0 HD1 TRP A 51 16.691 9.637 33.465 1.00 1.00 H new ATOM 0 HE1 TRP A 51 14.453 10.494 34.429 1.00 1.00 H new ATOM 0 HE3 TRP A 51 13.751 5.614 32.344 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 11.746 9.526 34.664 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 11.348 5.609 32.947 1.00 1.00 H new ATOM 0 HH2 TRP A 51 10.342 7.555 34.106 1.00 1.00 H new ATOM 761 N THR A 52 16.680 9.907 30.423 1.00 1.00 N ATOM 762 CA THR A 52 16.004 11.176 30.180 1.00 1.00 C ATOM 763 C THR A 52 15.956 11.480 28.687 1.00 1.00 C ATOM 764 O THR A 52 15.078 12.205 28.219 1.00 1.00 O ATOM 765 CB THR A 52 16.734 12.306 30.911 1.00 1.00 C ATOM 766 OG1 THR A 52 15.825 13.369 31.160 1.00 1.00 O ATOM 767 CG2 THR A 52 17.890 12.811 30.047 1.00 1.00 C ATOM 0 H THR A 52 17.698 9.963 30.436 1.00 1.00 H new ATOM 0 HA THR A 52 14.984 11.101 30.556 1.00 1.00 H new ATOM 0 HB THR A 52 17.127 11.935 31.857 1.00 1.00 H new ATOM 0 HG1 THR A 52 16.289 14.093 31.629 1.00 1.00 H new ATOM 0 HG21 THR A 52 18.409 13.615 30.568 1.00 1.00 H new ATOM 0 HG22 THR A 52 18.586 11.994 29.856 1.00 1.00 H new ATOM 0 HG23 THR A 52 17.500 13.184 29.100 1.00 1.00 H new ATOM 775 N VAL A 53 16.906 10.923 27.943 1.00 1.00 N ATOM 776 CA VAL A 53 16.962 11.143 26.503 1.00 1.00 C ATOM 777 C VAL A 53 15.873 10.343 25.795 1.00 1.00 C ATOM 778 O VAL A 53 15.137 10.878 24.965 1.00 1.00 O ATOM 779 CB VAL A 53 18.333 10.729 25.964 1.00 1.00 C ATOM 780 CG1 VAL A 53 18.280 10.647 24.438 1.00 1.00 C ATOM 781 CG2 VAL A 53 19.378 11.765 26.382 1.00 1.00 C ATOM 0 H VAL A 53 17.642 10.320 28.310 1.00 1.00 H new ATOM 0 HA VAL A 53 16.801 12.204 26.311 1.00 1.00 H new ATOM 0 HB VAL A 53 18.603 9.754 26.370 1.00 1.00 H new ATOM 0 HG11 VAL A 53 19.257 10.352 24.055 1.00 1.00 H new ATOM 0 HG12 VAL A 53 17.535 9.909 24.139 1.00 1.00 H new ATOM 0 HG13 VAL A 53 18.010 11.621 24.030 1.00 1.00 H new ATOM 0 HG21 VAL A 53 20.355 11.471 25.999 1.00 1.00 H new ATOM 0 HG22 VAL A 53 19.107 12.740 25.976 1.00 1.00 H new ATOM 0 HG23 VAL A 53 19.418 11.823 27.470 1.00 1.00 H new ATOM 791 N PHE A 54 15.775 9.061 26.128 1.00 1.00 N ATOM 792 CA PHE A 54 14.771 8.198 25.519 1.00 1.00 C ATOM 793 C PHE A 54 13.371 8.614 25.959 1.00 1.00 C ATOM 794 O PHE A 54 12.374 8.205 25.364 1.00 1.00 O ATOM 795 CB PHE A 54 15.022 6.741 25.915 1.00 1.00 C ATOM 796 CG PHE A 54 14.015 6.323 26.960 1.00 1.00 C ATOM 797 CD1 PHE A 54 14.127 6.801 28.271 1.00 1.00 C ATOM 798 CD2 PHE A 54 12.969 5.458 26.617 1.00 1.00 C ATOM 799 CE1 PHE A 54 13.195 6.412 29.240 1.00 1.00 C ATOM 800 CE2 PHE A 54 12.037 5.070 27.586 1.00 1.00 C ATOM 801 CZ PHE A 54 12.149 5.547 28.897 1.00 1.00 C ATOM 0 H PHE A 54 16.374 8.599 26.812 1.00 1.00 H new ATOM 0 HA PHE A 54 14.844 8.296 24.436 1.00 1.00 H new ATOM 0 HB2 PHE A 54 14.943 6.096 25.040 1.00 1.00 H new ATOM 0 HB3 PHE A 54 16.034 6.628 26.304 1.00 1.00 H new ATOM 0 HD1 PHE A 54 14.933 7.470 28.535 1.00 1.00 H new ATOM 0 HD2 PHE A 54 12.881 5.090 25.605 1.00 1.00 H new ATOM 0 HE1 PHE A 54 13.283 6.779 30.252 1.00 1.00 H new ATOM 0 HE2 PHE A 54 11.231 4.402 27.322 1.00 1.00 H new ATOM 0 HZ PHE A 54 11.429 5.248 29.644 1.00 1.00 H new ATOM 811 N ARG A 55 13.305 9.430 27.007 1.00 1.00 N ATOM 812 CA ARG A 55 12.025 9.896 27.521 1.00 1.00 C ATOM 813 C ARG A 55 11.516 11.078 26.702 1.00 1.00 C ATOM 814 O ARG A 55 10.531 10.962 25.972 1.00 1.00 O ATOM 815 CB ARG A 55 12.176 10.313 28.984 1.00 1.00 C ATOM 816 CG ARG A 55 10.795 10.465 29.619 1.00 1.00 C ATOM 817 CD ARG A 55 10.328 9.117 30.174 1.00 1.00 C ATOM 818 NE ARG A 55 8.880 9.006 30.066 1.00 1.00 N ATOM 819 CZ ARG A 55 8.079 9.495 31.008 1.00 1.00 C ATOM 820 NH1 ARG A 55 8.586 10.092 32.050 1.00 1.00 N ATOM 821 NH2 ARG A 55 6.785 9.377 30.888 1.00 1.00 N ATOM 0 H ARG A 55 14.119 9.779 27.513 1.00 1.00 H new ATOM 0 HA ARG A 55 11.304 9.082 27.446 1.00 1.00 H new ATOM 0 HB2 ARG A 55 12.757 9.567 29.527 1.00 1.00 H new ATOM 0 HB3 ARG A 55 12.723 11.253 29.050 1.00 1.00 H new ATOM 0 HG2 ARG A 55 10.832 11.205 30.419 1.00 1.00 H new ATOM 0 HG3 ARG A 55 10.083 10.830 28.879 1.00 1.00 H new ATOM 0 HD2 ARG A 55 10.805 8.304 29.626 1.00 1.00 H new ATOM 0 HD3 ARG A 55 10.631 9.019 31.216 1.00 1.00 H new ATOM 0 HE ARG A 55 8.473 8.545 29.253 1.00 1.00 H new ATOM 0 HH11 ARG A 55 9.598 10.184 32.143 1.00 1.00 H new ATOM 0 HH12 ARG A 55 7.971 10.467 32.772 1.00 1.00 H new ATOM 0 HH21 ARG A 55 6.389 8.910 30.072 1.00 1.00 H new ATOM 0 HH22 ARG A 55 6.170 9.752 31.610 1.00 1.00 H new ATOM 835 N LYS A 56 12.194 12.215 26.827 1.00 1.00 N ATOM 836 CA LYS A 56 11.801 13.411 26.093 1.00 1.00 C ATOM 837 C LYS A 56 11.421 13.060 24.658 1.00 1.00 C ATOM 838 O LYS A 56 10.462 13.603 24.109 1.00 1.00 O ATOM 839 CB LYS A 56 12.949 14.423 26.088 1.00 1.00 C ATOM 840 CG LYS A 56 14.212 13.762 25.532 1.00 1.00 C ATOM 841 CD LYS A 56 15.407 14.698 25.730 1.00 1.00 C ATOM 842 CE LYS A 56 16.379 14.540 24.559 1.00 1.00 C ATOM 843 NZ LYS A 56 15.808 15.192 23.347 1.00 1.00 N ATOM 0 H LYS A 56 13.012 12.332 27.425 1.00 1.00 H new ATOM 0 HA LYS A 56 10.934 13.849 26.588 1.00 1.00 H new ATOM 0 HB2 LYS A 56 12.682 15.288 25.481 1.00 1.00 H new ATOM 0 HB3 LYS A 56 13.131 14.787 27.099 1.00 1.00 H new ATOM 0 HG2 LYS A 56 14.392 12.813 26.038 1.00 1.00 H new ATOM 0 HG3 LYS A 56 14.083 13.539 24.473 1.00 1.00 H new ATOM 0 HD2 LYS A 56 15.066 15.731 25.796 1.00 1.00 H new ATOM 0 HD3 LYS A 56 15.911 14.468 26.669 1.00 1.00 H new ATOM 0 HE2 LYS A 56 17.340 14.989 24.808 1.00 1.00 H new ATOM 0 HE3 LYS A 56 16.562 13.483 24.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 16.061 14.639 22.503 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 14.773 15.238 23.433 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 16.191 16.155 23.257 1.00 1.00 H new ATOM 857 N LYS A 57 12.176 12.146 24.058 1.00 1.00 N ATOM 858 CA LYS A 57 11.906 11.728 22.687 1.00 1.00 C ATOM 859 C LYS A 57 10.824 10.653 22.661 1.00 1.00 C ATOM 860 O LYS A 57 11.024 9.567 22.115 1.00 1.00 O ATOM 861 CB LYS A 57 13.185 11.187 22.043 1.00 1.00 C ATOM 862 CG LYS A 57 14.069 12.355 21.601 1.00 1.00 C ATOM 863 CD LYS A 57 15.539 12.002 21.838 1.00 1.00 C ATOM 864 CE LYS A 57 15.881 10.713 21.089 1.00 1.00 C ATOM 865 NZ LYS A 57 17.284 10.788 20.587 1.00 1.00 N ATOM 0 H LYS A 57 12.973 11.684 24.495 1.00 1.00 H new ATOM 0 HA LYS A 57 11.557 12.593 22.124 1.00 1.00 H new ATOM 0 HB2 LYS A 57 13.723 10.558 22.752 1.00 1.00 H new ATOM 0 HB3 LYS A 57 12.936 10.561 21.186 1.00 1.00 H new ATOM 0 HG2 LYS A 57 13.902 12.572 20.546 1.00 1.00 H new ATOM 0 HG3 LYS A 57 13.806 13.255 22.157 1.00 1.00 H new ATOM 0 HD2 LYS A 57 16.179 12.815 21.495 1.00 1.00 H new ATOM 0 HD3 LYS A 57 15.727 11.876 22.904 1.00 1.00 H new ATOM 0 HE2 LYS A 57 15.765 9.854 21.750 1.00 1.00 H new ATOM 0 HE3 LYS A 57 15.192 10.570 20.256 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 17.518 9.912 20.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 17.379 11.599 19.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 17.934 10.905 21.390 1.00 1.00 H new ATOM 879 N GLY A 58 9.676 10.962 23.256 1.00 1.00 N ATOM 880 CA GLY A 58 8.568 10.015 23.297 1.00 1.00 C ATOM 881 C GLY A 58 7.623 10.232 22.121 1.00 1.00 C ATOM 882 O GLY A 58 6.473 10.632 22.301 1.00 1.00 O ATOM 0 H GLY A 58 9.490 11.854 23.713 1.00 1.00 H new ATOM 0 HA2 GLY A 58 8.954 8.996 23.275 1.00 1.00 H new ATOM 0 HA3 GLY A 58 8.022 10.129 24.233 1.00 1.00 H new ATOM 886 N HIS A 59 8.116 9.966 20.915 1.00 1.00 N ATOM 887 CA HIS A 59 7.305 10.135 19.715 1.00 1.00 C ATOM 888 C HIS A 59 6.231 9.055 19.636 1.00 1.00 C ATOM 889 O HIS A 59 5.037 9.354 19.624 1.00 1.00 O ATOM 890 CB HIS A 59 8.193 10.066 18.471 1.00 1.00 C ATOM 891 CG HIS A 59 8.845 11.402 18.245 1.00 1.00 C ATOM 892 ND1 HIS A 59 8.113 12.574 18.149 1.00 1.00 N ATOM 893 CD2 HIS A 59 10.160 11.767 18.093 1.00 1.00 C ATOM 894 CE1 HIS A 59 8.984 13.581 17.949 1.00 1.00 C ATOM 895 NE2 HIS A 59 10.245 13.143 17.906 1.00 1.00 N ATOM 0 H HIS A 59 9.066 9.635 20.744 1.00 1.00 H new ATOM 0 HA HIS A 59 6.820 11.110 19.762 1.00 1.00 H new ATOM 0 HB2 HIS A 59 8.953 9.295 18.596 1.00 1.00 H new ATOM 0 HB3 HIS A 59 7.598 9.788 17.601 1.00 1.00 H new ATOM 0 HD2 HIS A 59 11.000 11.089 18.115 1.00 1.00 H new ATOM 0 HE1 HIS A 59 8.698 14.616 17.837 1.00 1.00 H new ATOM 0 HE2 HIS A 59 11.089 13.698 17.766 1.00 1.00 H new ATOM 903 N HIS A 60 6.664 7.800 19.582 1.00 1.00 N ATOM 904 CA HIS A 60 5.728 6.683 19.504 1.00 1.00 C ATOM 905 C HIS A 60 4.589 7.003 18.542 1.00 1.00 C ATOM 906 O HIS A 60 3.429 6.698 18.815 1.00 1.00 O ATOM 907 CB HIS A 60 5.157 6.382 20.892 1.00 1.00 C ATOM 908 CG HIS A 60 4.292 5.154 20.821 1.00 1.00 C ATOM 909 ND1 HIS A 60 2.907 5.226 20.809 1.00 1.00 N ATOM 910 CD2 HIS A 60 4.598 3.818 20.760 1.00 1.00 C ATOM 911 CE1 HIS A 60 2.437 3.967 20.741 1.00 1.00 C ATOM 912 NE2 HIS A 60 3.426 3.070 20.709 1.00 1.00 N ATOM 0 H HIS A 60 7.648 7.531 19.591 1.00 1.00 H new ATOM 0 HA HIS A 60 6.265 5.809 19.135 1.00 1.00 H new ATOM 0 HB2 HIS A 60 5.967 6.229 21.605 1.00 1.00 H new ATOM 0 HB3 HIS A 60 4.574 7.231 21.249 1.00 1.00 H new ATOM 0 HD2 HIS A 60 5.597 3.409 20.753 1.00 1.00 H new ATOM 0 HE1 HIS A 60 1.388 3.713 20.715 1.00 1.00 H new ATOM 0 HE2 HIS A 60 3.340 2.055 20.658 1.00 1.00 H new ATOM 920 N HIS A 61 4.929 7.620 17.415 1.00 1.00 N ATOM 921 CA HIS A 61 3.926 7.977 16.419 1.00 1.00 C ATOM 922 C HIS A 61 3.735 6.840 15.420 1.00 1.00 C ATOM 923 O HIS A 61 4.691 6.384 14.792 1.00 1.00 O ATOM 924 CB HIS A 61 4.356 9.244 15.676 1.00 1.00 C ATOM 925 CG HIS A 61 3.476 10.391 16.091 1.00 1.00 C ATOM 926 ND1 HIS A 61 2.352 10.759 15.369 1.00 1.00 N ATOM 927 CD2 HIS A 61 3.542 11.261 17.150 1.00 1.00 C ATOM 928 CE1 HIS A 61 1.792 11.809 15.996 1.00 1.00 C ATOM 929 NE2 HIS A 61 2.477 12.156 17.088 1.00 1.00 N ATOM 0 H HIS A 61 5.884 7.881 17.170 1.00 1.00 H new ATOM 0 HA HIS A 61 2.981 8.159 16.931 1.00 1.00 H new ATOM 0 HB2 HIS A 61 5.398 9.473 15.898 1.00 1.00 H new ATOM 0 HB3 HIS A 61 4.286 9.089 14.599 1.00 1.00 H new ATOM 0 HD2 HIS A 61 4.304 11.253 17.915 1.00 1.00 H new ATOM 0 HE1 HIS A 61 0.897 12.310 15.657 1.00 1.00 H new ATOM 0 HE2 HIS A 61 2.266 12.914 17.737 1.00 1.00 H new ATOM 937 N HIS A 62 2.494 6.386 15.278 1.00 1.00 N ATOM 938 CA HIS A 62 2.189 5.302 14.352 1.00 1.00 C ATOM 939 C HIS A 62 2.744 5.609 12.965 1.00 1.00 C ATOM 940 O HIS A 62 3.241 4.719 12.274 1.00 1.00 O ATOM 941 CB HIS A 62 0.675 5.100 14.265 1.00 1.00 C ATOM 942 CG HIS A 62 0.310 4.633 12.883 1.00 1.00 C ATOM 943 ND1 HIS A 62 0.679 3.386 12.403 1.00 1.00 N ATOM 944 CD2 HIS A 62 -0.390 5.234 11.865 1.00 1.00 C ATOM 945 CE1 HIS A 62 0.204 3.277 11.149 1.00 1.00 C ATOM 946 NE2 HIS A 62 -0.456 4.375 10.772 1.00 1.00 N ATOM 0 H HIS A 62 1.689 6.749 15.788 1.00 1.00 H new ATOM 0 HA HIS A 62 2.656 4.390 14.724 1.00 1.00 H new ATOM 0 HB2 HIS A 62 0.352 4.368 15.005 1.00 1.00 H new ATOM 0 HB3 HIS A 62 0.159 6.033 14.493 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -0.823 6.222 11.907 1.00 1.00 H new ATOM 0 HE1 HIS A 62 0.340 2.407 10.523 1.00 1.00 H new ATOM 0 HE2 HIS A 62 -0.911 4.547 9.875 1.00 1.00 H new ATOM 954 N HIS A 63 2.656 6.873 12.565 1.00 1.00 N ATOM 955 CA HIS A 63 3.154 7.286 11.257 1.00 1.00 C ATOM 956 C HIS A 63 4.504 6.637 10.968 1.00 1.00 C ATOM 957 O HIS A 63 5.214 6.225 11.885 1.00 1.00 O ATOM 958 CB HIS A 63 3.297 8.808 11.211 1.00 1.00 C ATOM 959 CG HIS A 63 2.633 9.336 9.969 1.00 1.00 C ATOM 960 ND1 HIS A 63 3.310 9.469 8.767 1.00 1.00 N ATOM 961 CD2 HIS A 63 1.352 9.769 9.727 1.00 1.00 C ATOM 962 CE1 HIS A 63 2.444 9.963 7.865 1.00 1.00 C ATOM 963 NE2 HIS A 63 1.235 10.165 8.398 1.00 1.00 N ATOM 0 H HIS A 63 2.248 7.624 13.122 1.00 1.00 H new ATOM 0 HA HIS A 63 2.440 6.965 10.499 1.00 1.00 H new ATOM 0 HB2 HIS A 63 2.843 9.254 12.096 1.00 1.00 H new ATOM 0 HB3 HIS A 63 4.351 9.085 11.219 1.00 1.00 H new ATOM 0 HD1 HIS A 63 4.288 9.235 8.597 1.00 1.00 H new ATOM 0 HD2 HIS A 63 0.557 9.798 10.457 1.00 1.00 H new ATOM 0 HE1 HIS A 63 2.695 10.171 6.835 1.00 1.00 H new ATOM 971 N HIS A 64 4.849 6.547 9.688 1.00 1.00 N ATOM 972 CA HIS A 64 6.116 5.946 9.289 1.00 1.00 C ATOM 973 C HIS A 64 6.346 4.637 10.037 1.00 1.00 C ATOM 974 O HIS A 64 7.315 4.561 10.774 1.00 1.00 O ATOM 975 CB HIS A 64 7.267 6.911 9.580 1.00 1.00 C ATOM 976 CG HIS A 64 7.238 8.040 8.588 1.00 1.00 C ATOM 977 ND1 HIS A 64 6.708 9.283 8.896 1.00 1.00 N ATOM 978 CD2 HIS A 64 7.671 8.129 7.288 1.00 1.00 C ATOM 979 CE1 HIS A 64 6.834 10.060 7.805 1.00 1.00 C ATOM 980 NE2 HIS A 64 7.414 9.406 6.796 1.00 1.00 N ATOM 981 OXT HIS A 64 5.550 3.729 9.862 1.00 1.00 O ATOM 0 H HIS A 64 4.274 6.880 8.914 1.00 1.00 H new ATOM 0 HA HIS A 64 6.078 5.739 8.220 1.00 1.00 H new ATOM 0 HB2 HIS A 64 7.181 7.302 10.594 1.00 1.00 H new ATOM 0 HB3 HIS A 64 8.220 6.385 9.521 1.00 1.00 H new ATOM 0 HD2 HIS A 64 8.139 7.330 6.732 1.00 1.00 H new ATOM 0 HE1 HIS A 64 6.506 11.088 7.752 1.00 1.00 H new ATOM 0 HE2 HIS A 64 7.624 9.765 5.865 1.00 1.00 H new TER 989 HIS A 64