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 9 ASN : amide:sc= -0.072 K(o=-0.1,f=-1.8!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.0298 X(o=-0.1,f=-0.072) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.15 (180deg=0) 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= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0916 X(o=-0.092,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0509 USER MOD Single : A 19 CYS SG : rot 61:sc= 0.0258 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -25:sc= 0.382 USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= -0.0616 (180deg=-0.495) USER MOD Single : A 26 SER OG : rot 180:sc= 0.146 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 21:sc= 0.252! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 46 ASN : amide:sc= -3.91! C(o=-3.9!,f=-3!) USER MOD Single : A 52 THR OG1 : rot 8:sc= 1.04 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0.525 (180deg=0.502) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.746 K(o=-0.75,f=-1.7!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.637 15.748 49.347 1.00 1.00 N ATOM 2 CA MET A 1 9.394 14.787 50.197 1.00 1.00 C ATOM 3 C MET A 1 9.707 13.533 49.387 1.00 1.00 C ATOM 4 O MET A 1 9.347 13.436 48.214 1.00 1.00 O ATOM 5 CB MET A 1 8.554 14.421 51.422 1.00 1.00 C ATOM 6 CG MET A 1 8.698 15.512 52.484 1.00 1.00 C ATOM 7 SD MET A 1 10.016 15.057 53.639 1.00 1.00 S ATOM 8 CE MET A 1 9.869 16.494 54.729 1.00 1.00 C ATOM 0 H1 MET A 1 9.164 16.642 49.280 1.00 1.00 H new ATOM 0 H2 MET A 1 8.513 15.347 48.395 1.00 1.00 H new ATOM 0 H3 MET A 1 7.704 15.927 49.771 1.00 1.00 H new ATOM 0 HA MET A 1 10.328 15.243 50.527 1.00 1.00 H new ATOM 0 HB2 MET A 1 7.507 14.311 51.139 1.00 1.00 H new ATOM 0 HB3 MET A 1 8.878 13.461 51.825 1.00 1.00 H new ATOM 0 HG2 MET A 1 8.927 16.467 52.011 1.00 1.00 H new ATOM 0 HG3 MET A 1 7.758 15.639 53.020 1.00 1.00 H new ATOM 0 HE1 MET A 1 10.604 16.419 55.531 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.047 17.404 54.157 1.00 1.00 H new ATOM 0 HE3 MET A 1 8.867 16.525 55.157 1.00 1.00 H new ATOM 20 N GLU A 2 10.379 12.578 50.021 1.00 1.00 N ATOM 21 CA GLU A 2 10.737 11.332 49.353 1.00 1.00 C ATOM 22 C GLU A 2 10.430 10.136 50.249 1.00 1.00 C ATOM 23 O GLU A 2 11.283 9.682 51.010 1.00 1.00 O ATOM 24 CB GLU A 2 12.226 11.335 49.001 1.00 1.00 C ATOM 25 CG GLU A 2 12.475 12.298 47.836 1.00 1.00 C ATOM 26 CD GLU A 2 13.698 13.161 48.126 1.00 1.00 C ATOM 27 OE1 GLU A 2 13.768 13.706 49.215 1.00 1.00 O ATOM 28 OE2 GLU A 2 14.544 13.265 47.254 1.00 1.00 O ATOM 0 H GLU A 2 10.685 12.642 50.992 1.00 1.00 H new ATOM 0 HA GLU A 2 10.147 11.251 48.440 1.00 1.00 H new ATOM 0 HB2 GLU A 2 12.815 11.636 49.868 1.00 1.00 H new ATOM 0 HB3 GLU A 2 12.548 10.330 48.731 1.00 1.00 H new ATOM 0 HG2 GLU A 2 12.626 11.736 46.915 1.00 1.00 H new ATOM 0 HG3 GLU A 2 11.601 12.931 47.683 1.00 1.00 H new ATOM 35 N GLU A 3 9.203 9.631 50.153 1.00 1.00 N ATOM 36 CA GLU A 3 8.794 8.489 50.961 1.00 1.00 C ATOM 37 C GLU A 3 7.956 7.519 50.132 1.00 1.00 C ATOM 38 O GLU A 3 6.855 7.139 50.530 1.00 1.00 O ATOM 39 CB GLU A 3 7.981 8.965 52.167 1.00 1.00 C ATOM 40 CG GLU A 3 8.923 9.563 53.213 1.00 1.00 C ATOM 41 CD GLU A 3 9.709 8.453 53.903 1.00 1.00 C ATOM 42 OE1 GLU A 3 9.172 7.855 54.820 1.00 1.00 O ATOM 43 OE2 GLU A 3 10.838 8.217 53.503 1.00 1.00 O ATOM 0 H GLU A 3 8.481 9.992 49.529 1.00 1.00 H new ATOM 0 HA GLU A 3 9.690 7.974 51.308 1.00 1.00 H new ATOM 0 HB2 GLU A 3 7.248 9.709 51.854 1.00 1.00 H new ATOM 0 HB3 GLU A 3 7.426 8.131 52.597 1.00 1.00 H new ATOM 0 HG2 GLU A 3 9.609 10.264 52.738 1.00 1.00 H new ATOM 0 HG3 GLU A 3 8.351 10.127 53.950 1.00 1.00 H new ATOM 50 N GLY A 4 8.485 7.124 48.979 1.00 1.00 N ATOM 51 CA GLY A 4 7.777 6.199 48.103 1.00 1.00 C ATOM 52 C GLY A 4 7.908 6.623 46.643 1.00 1.00 C ATOM 53 O GLY A 4 6.969 6.482 45.860 1.00 1.00 O ATOM 0 H GLY A 4 9.395 7.427 48.631 1.00 1.00 H new ATOM 0 HA2 GLY A 4 8.176 5.193 48.231 1.00 1.00 H new ATOM 0 HA3 GLY A 4 6.724 6.162 48.382 1.00 1.00 H new ATOM 57 N GLY A 5 9.077 7.142 46.286 1.00 1.00 N ATOM 58 CA GLY A 5 9.320 7.583 44.917 1.00 1.00 C ATOM 59 C GLY A 5 9.693 6.406 44.024 1.00 1.00 C ATOM 60 O GLY A 5 8.826 5.771 43.422 1.00 1.00 O ATOM 0 H GLY A 5 9.866 7.267 46.920 1.00 1.00 H new ATOM 0 HA2 GLY A 5 8.429 8.074 44.525 1.00 1.00 H new ATOM 0 HA3 GLY A 5 10.122 8.322 44.906 1.00 1.00 H new ATOM 64 N ASP A 6 10.988 6.120 43.940 1.00 1.00 N ATOM 65 CA ASP A 6 11.465 5.016 43.116 1.00 1.00 C ATOM 66 C ASP A 6 10.773 5.024 41.757 1.00 1.00 C ATOM 67 O ASP A 6 9.669 4.498 41.608 1.00 1.00 O ATOM 68 CB ASP A 6 11.196 3.684 43.820 1.00 1.00 C ATOM 69 CG ASP A 6 12.153 2.617 43.299 1.00 1.00 C ATOM 70 OD1 ASP A 6 13.247 2.519 43.831 1.00 1.00 O ATOM 71 OD2 ASP A 6 11.779 1.914 42.375 1.00 1.00 O ATOM 0 H ASP A 6 11.721 6.633 44.429 1.00 1.00 H new ATOM 0 HA ASP A 6 12.538 5.137 42.966 1.00 1.00 H new ATOM 0 HB2 ASP A 6 11.319 3.801 44.897 1.00 1.00 H new ATOM 0 HB3 ASP A 6 10.165 3.374 43.649 1.00 1.00 H new ATOM 76 N PHE A 7 11.427 5.622 40.767 1.00 1.00 N ATOM 77 CA PHE A 7 10.865 5.692 39.424 1.00 1.00 C ATOM 78 C PHE A 7 11.971 5.863 38.388 1.00 1.00 C ATOM 79 O PHE A 7 12.821 6.744 38.513 1.00 1.00 O ATOM 80 CB PHE A 7 9.886 6.865 39.327 1.00 1.00 C ATOM 81 CG PHE A 7 9.399 6.998 37.905 1.00 1.00 C ATOM 82 CD1 PHE A 7 8.389 6.155 37.429 1.00 1.00 C ATOM 83 CD2 PHE A 7 9.957 7.966 37.061 1.00 1.00 C ATOM 84 CE1 PHE A 7 7.937 6.278 36.109 1.00 1.00 C ATOM 85 CE2 PHE A 7 9.505 8.090 35.742 1.00 1.00 C ATOM 86 CZ PHE A 7 8.495 7.245 35.266 1.00 1.00 C ATOM 0 H PHE A 7 12.341 6.063 40.868 1.00 1.00 H new ATOM 0 HA PHE A 7 10.336 4.760 39.223 1.00 1.00 H new ATOM 0 HB2 PHE A 7 9.042 6.705 39.998 1.00 1.00 H new ATOM 0 HB3 PHE A 7 10.374 7.787 39.643 1.00 1.00 H new ATOM 0 HD1 PHE A 7 7.958 5.409 38.080 1.00 1.00 H new ATOM 0 HD2 PHE A 7 10.737 8.617 37.428 1.00 1.00 H new ATOM 0 HE1 PHE A 7 7.158 5.626 35.742 1.00 1.00 H new ATOM 0 HE2 PHE A 7 9.935 8.837 35.092 1.00 1.00 H new ATOM 0 HZ PHE A 7 8.147 7.340 34.248 1.00 1.00 H new ATOM 96 N ASP A 8 11.953 5.015 37.365 1.00 1.00 N ATOM 97 CA ASP A 8 12.961 5.082 36.312 1.00 1.00 C ATOM 98 C ASP A 8 12.407 4.525 35.004 1.00 1.00 C ATOM 99 O ASP A 8 13.049 3.706 34.348 1.00 1.00 O ATOM 100 CB ASP A 8 14.200 4.286 36.724 1.00 1.00 C ATOM 101 CG ASP A 8 14.949 5.024 37.829 1.00 1.00 C ATOM 102 OD1 ASP A 8 15.504 6.072 37.544 1.00 1.00 O ATOM 103 OD2 ASP A 8 14.956 4.529 38.944 1.00 1.00 O ATOM 0 H ASP A 8 11.258 4.279 37.242 1.00 1.00 H new ATOM 0 HA ASP A 8 13.234 6.126 36.162 1.00 1.00 H new ATOM 0 HB2 ASP A 8 13.907 3.295 37.071 1.00 1.00 H new ATOM 0 HB3 ASP A 8 14.853 4.143 35.863 1.00 1.00 H new ATOM 108 N ASN A 9 11.213 4.975 34.634 1.00 1.00 N ATOM 109 CA ASN A 9 10.583 4.514 33.403 1.00 1.00 C ATOM 110 C ASN A 9 10.617 2.992 33.323 1.00 1.00 C ATOM 111 O ASN A 9 10.851 2.421 32.258 1.00 1.00 O ATOM 112 CB ASN A 9 11.305 5.110 32.195 1.00 1.00 C ATOM 113 CG ASN A 9 10.358 5.178 31.002 1.00 1.00 C ATOM 114 OD1 ASN A 9 9.252 4.640 31.054 1.00 1.00 O ATOM 115 ND2 ASN A 9 10.726 5.813 29.923 1.00 1.00 N ATOM 0 H ASN A 9 10.666 5.653 35.164 1.00 1.00 H new ATOM 0 HA ASN A 9 9.543 4.842 33.401 1.00 1.00 H new ATOM 0 HB2 ASN A 9 11.671 6.108 32.436 1.00 1.00 H new ATOM 0 HB3 ASN A 9 12.175 4.503 31.945 1.00 1.00 H new ATOM 0 HD21 ASN A 9 10.097 5.864 29.122 1.00 1.00 H new ATOM 0 HD22 ASN A 9 11.643 6.258 29.881 1.00 1.00 H new ATOM 122 N TYR A 10 10.382 2.343 34.458 1.00 1.00 N ATOM 123 CA TYR A 10 10.387 0.886 34.508 1.00 1.00 C ATOM 124 C TYR A 10 11.564 0.326 33.717 1.00 1.00 C ATOM 125 O TYR A 10 11.471 0.126 32.506 1.00 1.00 O ATOM 126 CB TYR A 10 9.078 0.339 33.936 1.00 1.00 C ATOM 127 CG TYR A 10 8.877 -1.081 34.408 1.00 1.00 C ATOM 128 CD1 TYR A 10 8.501 -1.332 35.733 1.00 1.00 C ATOM 129 CD2 TYR A 10 9.065 -2.148 33.521 1.00 1.00 C ATOM 130 CE1 TYR A 10 8.314 -2.648 36.170 1.00 1.00 C ATOM 131 CE2 TYR A 10 8.878 -3.464 33.958 1.00 1.00 C ATOM 132 CZ TYR A 10 8.503 -3.715 35.283 1.00 1.00 C ATOM 133 OH TYR A 10 8.319 -5.013 35.715 1.00 1.00 O ATOM 0 H TYR A 10 10.187 2.799 35.349 1.00 1.00 H new ATOM 0 HA TYR A 10 10.485 0.578 35.549 1.00 1.00 H new ATOM 0 HB2 TYR A 10 8.242 0.961 34.254 1.00 1.00 H new ATOM 0 HB3 TYR A 10 9.103 0.371 32.847 1.00 1.00 H new ATOM 0 HD1 TYR A 10 8.355 -0.510 36.418 1.00 1.00 H new ATOM 0 HD2 TYR A 10 9.355 -1.955 32.499 1.00 1.00 H new ATOM 0 HE1 TYR A 10 8.024 -2.841 37.192 1.00 1.00 H new ATOM 0 HE2 TYR A 10 9.023 -4.286 33.273 1.00 1.00 H new ATOM 0 HH TYR A 10 8.489 -5.632 34.974 1.00 1.00 H new ATOM 143 N TYR A 11 12.671 0.076 34.408 1.00 1.00 N ATOM 144 CA TYR A 11 13.861 -0.461 33.758 1.00 1.00 C ATOM 145 C TYR A 11 13.524 -1.736 32.992 1.00 1.00 C ATOM 146 O TYR A 11 12.439 -2.297 33.147 1.00 1.00 O ATOM 147 CB TYR A 11 14.936 -0.760 34.804 1.00 1.00 C ATOM 148 CG TYR A 11 14.647 -2.090 35.457 1.00 1.00 C ATOM 149 CD1 TYR A 11 13.617 -2.198 36.400 1.00 1.00 C ATOM 150 CD2 TYR A 11 15.409 -3.216 35.122 1.00 1.00 C ATOM 151 CE1 TYR A 11 13.348 -3.431 37.005 1.00 1.00 C ATOM 152 CE2 TYR A 11 15.141 -4.448 35.728 1.00 1.00 C ATOM 153 CZ TYR A 11 14.111 -4.557 36.669 1.00 1.00 C ATOM 154 OH TYR A 11 13.846 -5.772 37.266 1.00 1.00 O ATOM 0 H TYR A 11 12.769 0.235 35.411 1.00 1.00 H new ATOM 0 HA TYR A 11 14.236 0.283 33.055 1.00 1.00 H new ATOM 0 HB2 TYR A 11 15.920 -0.779 34.335 1.00 1.00 H new ATOM 0 HB3 TYR A 11 14.957 0.029 35.555 1.00 1.00 H new ATOM 0 HD1 TYR A 11 13.030 -1.330 36.660 1.00 1.00 H new ATOM 0 HD2 TYR A 11 16.204 -3.133 34.396 1.00 1.00 H new ATOM 0 HE1 TYR A 11 12.552 -3.514 37.731 1.00 1.00 H new ATOM 0 HE2 TYR A 11 15.730 -5.316 35.469 1.00 1.00 H new ATOM 0 HH TYR A 11 14.465 -6.448 36.920 1.00 1.00 H new ATOM 164 N GLY A 12 14.461 -2.189 32.165 1.00 1.00 N ATOM 165 CA GLY A 12 14.253 -3.398 31.380 1.00 1.00 C ATOM 166 C GLY A 12 13.920 -3.058 29.932 1.00 1.00 C ATOM 167 O GLY A 12 13.063 -3.692 29.315 1.00 1.00 O ATOM 0 H GLY A 12 15.366 -1.740 32.022 1.00 1.00 H new ATOM 0 HA2 GLY A 12 15.149 -4.017 31.415 1.00 1.00 H new ATOM 0 HA3 GLY A 12 13.443 -3.984 31.815 1.00 1.00 H new ATOM 171 N ALA A 13 14.602 -2.052 29.393 1.00 1.00 N ATOM 172 CA ALA A 13 14.370 -1.635 28.015 1.00 1.00 C ATOM 173 C ALA A 13 15.461 -2.179 27.100 1.00 1.00 C ATOM 174 O ALA A 13 16.176 -1.417 26.449 1.00 1.00 O ATOM 175 CB ALA A 13 14.343 -0.108 27.930 1.00 1.00 C ATOM 0 H ALA A 13 15.315 -1.514 29.886 1.00 1.00 H new ATOM 0 HA ALA A 13 13.409 -2.034 27.691 1.00 1.00 H new ATOM 0 HB1 ALA A 13 14.169 0.196 26.898 1.00 1.00 H new ATOM 0 HB2 ALA A 13 13.542 0.277 28.561 1.00 1.00 H new ATOM 0 HB3 ALA A 13 15.298 0.292 28.270 1.00 1.00 H new ATOM 181 N ASP A 14 15.583 -3.501 27.054 1.00 1.00 N ATOM 182 CA ASP A 14 16.592 -4.137 26.214 1.00 1.00 C ATOM 183 C ASP A 14 16.013 -4.473 24.843 1.00 1.00 C ATOM 184 O ASP A 14 15.713 -5.630 24.552 1.00 1.00 O ATOM 185 CB ASP A 14 17.099 -5.417 26.884 1.00 1.00 C ATOM 186 CG ASP A 14 17.921 -5.068 28.120 1.00 1.00 C ATOM 187 OD1 ASP A 14 17.338 -4.971 29.186 1.00 1.00 O ATOM 188 OD2 ASP A 14 19.121 -4.902 27.980 1.00 1.00 O ATOM 0 H ASP A 14 15.001 -4.149 27.584 1.00 1.00 H new ATOM 0 HA ASP A 14 17.422 -3.442 26.085 1.00 1.00 H new ATOM 0 HB2 ASP A 14 16.256 -6.049 27.164 1.00 1.00 H new ATOM 0 HB3 ASP A 14 17.707 -5.988 26.182 1.00 1.00 H new ATOM 193 N ASN A 15 15.860 -3.452 24.006 1.00 1.00 N ATOM 194 CA ASN A 15 15.316 -3.650 22.667 1.00 1.00 C ATOM 195 C ASN A 15 16.051 -2.778 21.655 1.00 1.00 C ATOM 196 O ASN A 15 15.630 -2.655 20.506 1.00 1.00 O ATOM 197 CB ASN A 15 13.825 -3.306 22.653 1.00 1.00 C ATOM 198 CG ASN A 15 13.007 -4.513 23.099 1.00 1.00 C ATOM 199 OD1 ASN A 15 12.635 -5.350 22.276 1.00 1.00 O ATOM 200 ND2 ASN A 15 12.702 -4.654 24.359 1.00 1.00 N ATOM 0 H ASN A 15 16.103 -2.487 24.228 1.00 1.00 H new ATOM 0 HA ASN A 15 15.450 -4.696 22.392 1.00 1.00 H new ATOM 0 HB2 ASN A 15 13.632 -2.461 23.314 1.00 1.00 H new ATOM 0 HB3 ASN A 15 13.523 -3.002 21.651 1.00 1.00 H new ATOM 0 HD21 ASN A 15 12.154 -5.459 24.664 1.00 1.00 H new ATOM 0 HD22 ASN A 15 13.011 -3.960 25.039 1.00 1.00 H new ATOM 207 N GLN A 16 17.152 -2.174 22.091 1.00 1.00 N ATOM 208 CA GLN A 16 17.940 -1.315 21.214 1.00 1.00 C ATOM 209 C GLN A 16 18.955 -2.138 20.428 1.00 1.00 C ATOM 210 O GLN A 16 20.164 -1.972 20.593 1.00 1.00 O ATOM 211 CB GLN A 16 18.669 -0.254 22.041 1.00 1.00 C ATOM 212 CG GLN A 16 19.636 -0.936 23.009 1.00 1.00 C ATOM 213 CD GLN A 16 19.524 -0.300 24.391 1.00 1.00 C ATOM 214 OE1 GLN A 16 20.194 0.692 24.675 1.00 1.00 O ATOM 215 NE2 GLN A 16 18.713 -0.818 25.273 1.00 1.00 N ATOM 0 H GLN A 16 17.517 -2.262 23.039 1.00 1.00 H new ATOM 0 HA GLN A 16 17.265 -0.827 20.511 1.00 1.00 H new ATOM 0 HB2 GLN A 16 19.214 0.424 21.384 1.00 1.00 H new ATOM 0 HB3 GLN A 16 17.949 0.349 22.594 1.00 1.00 H new ATOM 0 HG2 GLN A 16 19.412 -2.001 23.070 1.00 1.00 H new ATOM 0 HG3 GLN A 16 20.658 -0.846 22.640 1.00 1.00 H new ATOM 0 HE21 GLN A 16 18.159 -1.640 25.035 1.00 1.00 H new ATOM 0 HE22 GLN A 16 18.634 -0.400 26.200 1.00 1.00 H new ATOM 224 N SER A 17 18.456 -3.025 19.574 1.00 1.00 N ATOM 225 CA SER A 17 19.330 -3.869 18.768 1.00 1.00 C ATOM 226 C SER A 17 19.927 -3.073 17.612 1.00 1.00 C ATOM 227 O SER A 17 19.201 -2.520 16.786 1.00 1.00 O ATOM 228 CB SER A 17 18.544 -5.059 18.218 1.00 1.00 C ATOM 229 OG SER A 17 18.582 -5.030 16.797 1.00 1.00 O ATOM 0 H SER A 17 17.459 -3.178 19.423 1.00 1.00 H new ATOM 0 HA SER A 17 20.140 -4.230 19.402 1.00 1.00 H new ATOM 0 HB2 SER A 17 18.970 -5.992 18.586 1.00 1.00 H new ATOM 0 HB3 SER A 17 17.512 -5.021 18.567 1.00 1.00 H new ATOM 0 HG SER A 17 18.080 -5.792 16.441 1.00 1.00 H new ATOM 235 N GLU A 18 21.254 -3.018 17.560 1.00 1.00 N ATOM 236 CA GLU A 18 21.938 -2.286 16.500 1.00 1.00 C ATOM 237 C GLU A 18 23.182 -3.041 16.045 1.00 1.00 C ATOM 238 O GLU A 18 24.199 -3.059 16.738 1.00 1.00 O ATOM 239 CB GLU A 18 22.337 -0.896 17.000 1.00 1.00 C ATOM 240 CG GLU A 18 21.623 0.171 16.168 1.00 1.00 C ATOM 241 CD GLU A 18 22.032 1.562 16.640 1.00 1.00 C ATOM 242 OE1 GLU A 18 21.652 1.927 17.740 1.00 1.00 O ATOM 243 OE2 GLU A 18 22.719 2.240 15.895 1.00 1.00 O ATOM 0 H GLU A 18 21.873 -3.468 18.234 1.00 1.00 H new ATOM 0 HA GLU A 18 21.257 -2.187 15.654 1.00 1.00 H new ATOM 0 HB2 GLU A 18 22.075 -0.787 18.052 1.00 1.00 H new ATOM 0 HB3 GLU A 18 23.417 -0.768 16.926 1.00 1.00 H new ATOM 0 HG2 GLU A 18 21.872 0.048 15.114 1.00 1.00 H new ATOM 0 HG3 GLU A 18 20.543 0.051 16.257 1.00 1.00 H new ATOM 250 N CYS A 19 23.094 -3.662 14.873 1.00 1.00 N ATOM 251 CA CYS A 19 24.219 -4.417 14.333 1.00 1.00 C ATOM 252 C CYS A 19 24.332 -4.208 12.827 1.00 1.00 C ATOM 253 O CYS A 19 25.139 -4.855 12.160 1.00 1.00 O ATOM 254 CB CYS A 19 24.042 -5.906 14.633 1.00 1.00 C ATOM 255 SG CYS A 19 23.054 -6.671 13.323 1.00 1.00 S ATOM 0 H CYS A 19 22.262 -3.658 14.283 1.00 1.00 H new ATOM 0 HA CYS A 19 25.133 -4.058 14.807 1.00 1.00 H new ATOM 0 HB2 CYS A 19 25.015 -6.393 14.701 1.00 1.00 H new ATOM 0 HB3 CYS A 19 23.552 -6.038 15.597 1.00 1.00 H new ATOM 0 HG CYS A 19 23.665 -6.537 12.184 1.00 1.00 H new ATOM 261 N GLU A 20 23.516 -3.303 12.297 1.00 1.00 N ATOM 262 CA GLU A 20 23.532 -3.018 10.868 1.00 1.00 C ATOM 263 C GLU A 20 24.300 -1.730 10.586 1.00 1.00 C ATOM 264 O GLU A 20 24.950 -1.598 9.549 1.00 1.00 O ATOM 265 CB GLU A 20 22.100 -2.883 10.345 1.00 1.00 C ATOM 266 CG GLU A 20 21.862 -3.913 9.239 1.00 1.00 C ATOM 267 CD GLU A 20 20.444 -3.774 8.695 1.00 1.00 C ATOM 268 OE1 GLU A 20 20.150 -2.738 8.120 1.00 1.00 O ATOM 269 OE2 GLU A 20 19.673 -4.705 8.861 1.00 1.00 O ATOM 0 H GLU A 20 22.840 -2.758 12.832 1.00 1.00 H new ATOM 0 HA GLU A 20 24.029 -3.844 10.359 1.00 1.00 H new ATOM 0 HB2 GLU A 20 21.389 -3.035 11.157 1.00 1.00 H new ATOM 0 HB3 GLU A 20 21.935 -1.876 9.961 1.00 1.00 H new ATOM 0 HG2 GLU A 20 22.584 -3.770 8.435 1.00 1.00 H new ATOM 0 HG3 GLU A 20 22.014 -4.919 9.629 1.00 1.00 H new ATOM 276 N TYR A 21 24.222 -0.785 11.517 1.00 1.00 N ATOM 277 CA TYR A 21 24.916 0.488 11.358 1.00 1.00 C ATOM 278 C TYR A 21 26.227 0.485 12.137 1.00 1.00 C ATOM 279 O TYR A 21 27.074 1.359 11.950 1.00 1.00 O ATOM 280 CB TYR A 21 24.028 1.631 11.856 1.00 1.00 C ATOM 281 CG TYR A 21 24.877 2.648 12.582 1.00 1.00 C ATOM 282 CD1 TYR A 21 25.164 2.475 13.942 1.00 1.00 C ATOM 283 CD2 TYR A 21 25.373 3.762 11.897 1.00 1.00 C ATOM 284 CE1 TYR A 21 25.950 3.417 14.615 1.00 1.00 C ATOM 285 CE2 TYR A 21 26.160 4.705 12.571 1.00 1.00 C ATOM 286 CZ TYR A 21 26.448 4.532 13.930 1.00 1.00 C ATOM 287 OH TYR A 21 27.223 5.461 14.594 1.00 1.00 O ATOM 0 H TYR A 21 23.690 -0.875 12.383 1.00 1.00 H new ATOM 0 HA TYR A 21 25.136 0.631 10.300 1.00 1.00 H new ATOM 0 HB2 TYR A 21 23.517 2.101 11.016 1.00 1.00 H new ATOM 0 HB3 TYR A 21 23.257 1.243 12.522 1.00 1.00 H new ATOM 0 HD1 TYR A 21 24.779 1.615 14.471 1.00 1.00 H new ATOM 0 HD2 TYR A 21 25.149 3.895 10.849 1.00 1.00 H new ATOM 0 HE1 TYR A 21 26.173 3.284 15.663 1.00 1.00 H new ATOM 0 HE2 TYR A 21 26.544 5.565 12.042 1.00 1.00 H new ATOM 0 HH TYR A 21 27.487 6.171 13.972 1.00 1.00 H new ATOM 297 N THR A 22 26.389 -0.504 13.010 1.00 1.00 N ATOM 298 CA THR A 22 27.604 -0.612 13.810 1.00 1.00 C ATOM 299 C THR A 22 28.539 -1.667 13.228 1.00 1.00 C ATOM 300 O THR A 22 29.746 -1.641 13.469 1.00 1.00 O ATOM 301 CB THR A 22 27.246 -0.984 15.252 1.00 1.00 C ATOM 302 OG1 THR A 22 26.215 -0.125 15.718 1.00 1.00 O ATOM 303 CG2 THR A 22 28.481 -0.830 16.140 1.00 1.00 C ATOM 0 H THR A 22 25.700 -1.237 13.181 1.00 1.00 H new ATOM 0 HA THR A 22 28.112 0.352 13.797 1.00 1.00 H new ATOM 0 HB THR A 22 26.902 -2.018 15.288 1.00 1.00 H new ATOM 0 HG1 THR A 22 26.242 0.719 15.220 1.00 1.00 H new ATOM 0 HG21 THR A 22 28.226 -1.095 17.166 1.00 1.00 H new ATOM 0 HG22 THR A 22 29.272 -1.489 15.781 1.00 1.00 H new ATOM 0 HG23 THR A 22 28.826 0.203 16.107 1.00 1.00 H new ATOM 311 N ASP A 23 27.973 -2.593 12.462 1.00 1.00 N ATOM 312 CA ASP A 23 28.767 -3.652 11.849 1.00 1.00 C ATOM 313 C ASP A 23 29.307 -3.203 10.495 1.00 1.00 C ATOM 314 O ASP A 23 30.192 -3.842 9.927 1.00 1.00 O ATOM 315 CB ASP A 23 27.911 -4.907 11.669 1.00 1.00 C ATOM 316 CG ASP A 23 28.783 -6.071 11.207 1.00 1.00 C ATOM 317 OD1 ASP A 23 29.990 -5.902 11.169 1.00 1.00 O ATOM 318 OD2 ASP A 23 28.230 -7.113 10.898 1.00 1.00 O ATOM 0 H ASP A 23 26.976 -2.633 12.252 1.00 1.00 H new ATOM 0 HA ASP A 23 29.608 -3.876 12.505 1.00 1.00 H new ATOM 0 HB2 ASP A 23 27.420 -5.160 12.609 1.00 1.00 H new ATOM 0 HB3 ASP A 23 27.124 -4.719 10.939 1.00 1.00 H new ATOM 323 N TRP A 24 28.769 -2.100 9.985 1.00 1.00 N ATOM 324 CA TRP A 24 29.205 -1.575 8.696 1.00 1.00 C ATOM 325 C TRP A 24 30.715 -1.354 8.692 1.00 1.00 C ATOM 326 O TRP A 24 31.380 -1.567 7.678 1.00 1.00 O ATOM 327 CB TRP A 24 28.493 -0.254 8.403 1.00 1.00 C ATOM 328 CG TRP A 24 29.091 0.832 9.236 1.00 1.00 C ATOM 329 CD1 TRP A 24 29.240 0.788 10.580 1.00 1.00 C ATOM 330 CD2 TRP A 24 29.624 2.119 8.808 1.00 1.00 C ATOM 331 NE1 TRP A 24 29.829 1.965 11.004 1.00 1.00 N ATOM 332 CE2 TRP A 24 30.086 2.818 9.948 1.00 1.00 C ATOM 333 CE3 TRP A 24 29.751 2.741 7.552 1.00 1.00 C ATOM 334 CZ2 TRP A 24 30.652 4.089 9.847 1.00 1.00 C ATOM 335 CZ3 TRP A 24 30.321 4.020 7.448 1.00 1.00 C ATOM 336 CH2 TRP A 24 30.771 4.693 8.593 1.00 1.00 C ATOM 0 H TRP A 24 28.036 -1.556 10.440 1.00 1.00 H new ATOM 0 HA TRP A 24 28.953 -2.302 7.924 1.00 1.00 H new ATOM 0 HB2 TRP A 24 28.584 -0.007 7.345 1.00 1.00 H new ATOM 0 HB3 TRP A 24 27.429 -0.347 8.618 1.00 1.00 H new ATOM 0 HD1 TRP A 24 28.947 -0.033 11.218 1.00 1.00 H new ATOM 0 HE1 TRP A 24 30.047 2.178 11.977 1.00 1.00 H new ATOM 0 HE3 TRP A 24 29.408 2.232 6.663 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 30.996 4.603 10.733 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 30.413 4.489 6.479 1.00 1.00 H new ATOM 0 HH2 TRP A 24 31.209 5.676 8.506 1.00 1.00 H new ATOM 347 N LYS A 25 31.247 -0.924 9.831 1.00 1.00 N ATOM 348 CA LYS A 25 32.680 -0.676 9.947 1.00 1.00 C ATOM 349 C LYS A 25 33.097 -0.621 11.413 1.00 1.00 C ATOM 350 O LYS A 25 32.798 0.343 12.117 1.00 1.00 O ATOM 351 CB LYS A 25 33.040 0.643 9.262 1.00 1.00 C ATOM 352 CG LYS A 25 33.954 0.366 8.067 1.00 1.00 C ATOM 353 CD LYS A 25 34.342 1.688 7.402 1.00 1.00 C ATOM 354 CE LYS A 25 35.630 2.219 8.033 1.00 1.00 C ATOM 355 NZ LYS A 25 36.777 1.366 7.613 1.00 1.00 N ATOM 0 H LYS A 25 30.713 -0.741 10.681 1.00 1.00 H new ATOM 0 HA LYS A 25 33.211 -1.494 9.460 1.00 1.00 H new ATOM 0 HB2 LYS A 25 32.135 1.152 8.930 1.00 1.00 H new ATOM 0 HB3 LYS A 25 33.538 1.307 9.968 1.00 1.00 H new ATOM 0 HG2 LYS A 25 34.848 -0.164 8.395 1.00 1.00 H new ATOM 0 HG3 LYS A 25 33.446 -0.279 7.349 1.00 1.00 H new ATOM 0 HD2 LYS A 25 34.483 1.541 6.331 1.00 1.00 H new ATOM 0 HD3 LYS A 25 33.540 2.416 7.521 1.00 1.00 H new ATOM 0 HE2 LYS A 25 35.799 3.251 7.726 1.00 1.00 H new ATOM 0 HE3 LYS A 25 35.542 2.220 9.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 37.647 1.936 7.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 36.890 0.580 8.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 36.596 0.985 6.662 1.00 1.00 H new ATOM 369 N SER A 26 33.788 -1.662 11.866 1.00 1.00 N ATOM 370 CA SER A 26 34.240 -1.720 13.251 1.00 1.00 C ATOM 371 C SER A 26 35.519 -2.545 13.363 1.00 1.00 C ATOM 372 O SER A 26 36.410 -2.223 14.150 1.00 1.00 O ATOM 373 CB SER A 26 33.153 -2.339 14.129 1.00 1.00 C ATOM 374 OG SER A 26 33.628 -3.566 14.670 1.00 1.00 O ATOM 0 H SER A 26 34.045 -2.470 11.300 1.00 1.00 H new ATOM 0 HA SER A 26 34.445 -0.704 13.590 1.00 1.00 H new ATOM 0 HB2 SER A 26 32.885 -1.654 14.933 1.00 1.00 H new ATOM 0 HB3 SER A 26 32.250 -2.512 13.543 1.00 1.00 H new ATOM 0 HG SER A 26 32.934 -3.965 15.235 1.00 1.00 H new ATOM 380 N SER A 27 35.602 -3.609 12.573 1.00 1.00 N ATOM 381 CA SER A 27 36.777 -4.472 12.592 1.00 1.00 C ATOM 382 C SER A 27 37.094 -4.908 14.019 1.00 1.00 C ATOM 383 O SER A 27 38.258 -4.958 14.419 1.00 1.00 O ATOM 384 CB SER A 27 37.979 -3.733 12.004 1.00 1.00 C ATOM 385 OG SER A 27 37.711 -3.407 10.648 1.00 1.00 O ATOM 0 H SER A 27 34.876 -3.894 11.916 1.00 1.00 H new ATOM 0 HA SER A 27 36.566 -5.356 11.990 1.00 1.00 H new ATOM 0 HB2 SER A 27 38.179 -2.827 12.576 1.00 1.00 H new ATOM 0 HB3 SER A 27 38.872 -4.355 12.071 1.00 1.00 H new ATOM 0 HG SER A 27 38.479 -2.931 10.268 1.00 1.00 H new ATOM 391 N GLY A 28 36.053 -5.221 14.782 1.00 1.00 N ATOM 392 CA GLY A 28 36.233 -5.650 16.164 1.00 1.00 C ATOM 393 C GLY A 28 36.768 -4.507 17.019 1.00 1.00 C ATOM 394 O GLY A 28 37.141 -4.707 18.176 1.00 1.00 O ATOM 0 H GLY A 28 35.082 -5.186 14.470 1.00 1.00 H new ATOM 0 HA2 GLY A 28 35.283 -5.999 16.568 1.00 1.00 H new ATOM 0 HA3 GLY A 28 36.924 -6.492 16.201 1.00 1.00 H new ATOM 398 N ALA A 29 36.802 -3.311 16.444 1.00 1.00 N ATOM 399 CA ALA A 29 37.293 -2.141 17.161 1.00 1.00 C ATOM 400 C ALA A 29 38.633 -2.443 17.823 1.00 1.00 C ATOM 401 O ALA A 29 38.683 -2.973 18.934 1.00 1.00 O ATOM 402 CB ALA A 29 36.280 -1.717 18.226 1.00 1.00 C ATOM 0 H ALA A 29 36.497 -3.126 15.488 1.00 1.00 H new ATOM 0 HA ALA A 29 37.428 -1.330 16.445 1.00 1.00 H new ATOM 0 HB1 ALA A 29 36.655 -0.842 18.757 1.00 1.00 H new ATOM 0 HB2 ALA A 29 35.331 -1.473 17.749 1.00 1.00 H new ATOM 0 HB3 ALA A 29 36.131 -2.534 18.932 1.00 1.00 H new ATOM 408 N LEU A 30 39.717 -2.101 17.136 1.00 1.00 N ATOM 409 CA LEU A 30 41.054 -2.339 17.666 1.00 1.00 C ATOM 410 C LEU A 30 41.386 -1.324 18.756 1.00 1.00 C ATOM 411 O LEU A 30 41.307 -1.627 19.946 1.00 1.00 O ATOM 412 CB LEU A 30 42.087 -2.241 16.542 1.00 1.00 C ATOM 413 CG LEU A 30 41.752 -3.257 15.450 1.00 1.00 C ATOM 414 CD1 LEU A 30 41.120 -2.537 14.257 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.035 -3.960 14.999 1.00 1.00 C ATOM 0 H LEU A 30 39.697 -1.661 16.216 1.00 1.00 H new ATOM 0 HA LEU A 30 41.081 -3.340 18.097 1.00 1.00 H new ATOM 0 HB2 LEU A 30 42.093 -1.233 16.126 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.086 -2.430 16.935 1.00 1.00 H new ATOM 0 HG LEU A 30 41.050 -3.993 15.842 1.00 1.00 H new ATOM 0 HD11 LEU A 30 40.882 -3.262 13.479 1.00 1.00 H new ATOM 0 HD12 LEU A 30 40.207 -2.035 14.577 1.00 1.00 H new ATOM 0 HD13 LEU A 30 41.821 -1.800 13.864 1.00 1.00 H new ATOM 0 HD21 LEU A 30 42.798 -4.685 14.220 1.00 1.00 H new ATOM 0 HD22 LEU A 30 43.736 -3.223 14.607 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.486 -4.474 15.848 1.00 1.00 H new ATOM 427 N ILE A 31 41.756 -0.117 18.340 1.00 1.00 N ATOM 428 CA ILE A 31 42.097 0.936 19.289 1.00 1.00 C ATOM 429 C ILE A 31 40.845 1.660 19.803 1.00 1.00 C ATOM 430 O ILE A 31 40.813 2.088 20.957 1.00 1.00 O ATOM 431 CB ILE A 31 43.061 1.939 18.641 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.500 1.419 18.775 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.939 3.305 19.327 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.108 1.880 20.104 1.00 1.00 C ATOM 0 H ILE A 31 41.827 0.155 17.359 1.00 1.00 H new ATOM 0 HA ILE A 31 42.585 0.469 20.144 1.00 1.00 H new ATOM 0 HB ILE A 31 42.808 2.051 17.587 1.00 1.00 H new ATOM 0 HG12 ILE A 31 44.507 0.330 18.722 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.105 1.783 17.944 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.627 4.010 18.860 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.918 3.673 19.225 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.185 3.205 20.384 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.128 1.505 20.187 1.00 1.00 H new ATOM 0 HD12 ILE A 31 45.118 2.969 20.141 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.511 1.494 20.930 1.00 1.00 H new ATOM 446 N PRO A 32 39.820 1.813 18.993 1.00 1.00 N ATOM 447 CA PRO A 32 38.569 2.508 19.423 1.00 1.00 C ATOM 448 C PRO A 32 37.925 1.830 20.630 1.00 1.00 C ATOM 449 O PRO A 32 37.260 2.479 21.437 1.00 1.00 O ATOM 450 CB PRO A 32 37.648 2.429 18.200 1.00 1.00 C ATOM 451 CG PRO A 32 38.538 2.130 17.040 1.00 1.00 C ATOM 452 CD PRO A 32 39.726 1.351 17.598 1.00 1.00 C ATOM 0 HA PRO A 32 38.767 3.533 19.738 1.00 1.00 H new ATOM 0 HB2 PRO A 32 36.896 1.650 18.327 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.114 3.367 18.051 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.010 1.546 16.286 1.00 1.00 H new ATOM 0 HG3 PRO A 32 38.869 3.050 16.557 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.561 0.275 17.542 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.640 1.563 17.043 1.00 1.00 H new ATOM 460 N ALA A 33 38.127 0.522 20.744 1.00 1.00 N ATOM 461 CA ALA A 33 37.561 -0.235 21.856 1.00 1.00 C ATOM 462 C ALA A 33 38.052 0.321 23.188 1.00 1.00 C ATOM 463 O ALA A 33 37.325 0.311 24.180 1.00 1.00 O ATOM 464 CB ALA A 33 37.956 -1.708 21.739 1.00 1.00 C ATOM 0 H ALA A 33 38.674 -0.033 20.086 1.00 1.00 H new ATOM 0 HA ALA A 33 36.475 -0.146 21.816 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.530 -2.266 22.573 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.578 -2.113 20.800 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.042 -1.796 21.761 1.00 1.00 H new ATOM 470 N ILE A 34 39.289 0.805 23.203 1.00 1.00 N ATOM 471 CA ILE A 34 39.867 1.362 24.420 1.00 1.00 C ATOM 472 C ILE A 34 39.526 2.843 24.546 1.00 1.00 C ATOM 473 O ILE A 34 39.286 3.344 25.644 1.00 1.00 O ATOM 474 CB ILE A 34 41.385 1.186 24.407 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.730 -0.281 24.678 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.011 2.064 25.492 1.00 1.00 C ATOM 477 CD1 ILE A 34 41.111 -1.161 23.591 1.00 1.00 C ATOM 0 H ILE A 34 39.907 0.823 22.392 1.00 1.00 H new ATOM 0 HA ILE A 34 39.448 0.830 25.274 1.00 1.00 H new ATOM 0 HB ILE A 34 41.776 1.479 23.433 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.812 -0.414 24.696 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.356 -0.578 25.658 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.094 1.938 25.482 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.765 3.109 25.301 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.621 1.772 26.467 1.00 1.00 H new ATOM 0 HD11 ILE A 34 41.357 -2.205 23.784 1.00 1.00 H new ATOM 0 HD12 ILE A 34 40.028 -1.036 23.595 1.00 1.00 H new ATOM 0 HD13 ILE A 34 41.506 -0.869 22.618 1.00 1.00 H new ATOM 489 N TYR A 35 39.506 3.539 23.413 1.00 1.00 N ATOM 490 CA TYR A 35 39.194 4.964 23.408 1.00 1.00 C ATOM 491 C TYR A 35 37.769 5.202 23.896 1.00 1.00 C ATOM 492 O TYR A 35 37.482 6.212 24.536 1.00 1.00 O ATOM 493 CB TYR A 35 39.355 5.530 21.998 1.00 1.00 C ATOM 494 CG TYR A 35 40.121 6.829 22.062 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.505 7.982 22.564 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.449 6.882 21.620 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.216 9.187 22.624 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.161 8.086 21.680 1.00 1.00 C ATOM 499 CZ TYR A 35 41.544 9.238 22.183 1.00 1.00 C ATOM 500 OH TYR A 35 42.244 10.426 22.243 1.00 1.00 O ATOM 0 H TYR A 35 39.701 3.143 22.493 1.00 1.00 H new ATOM 0 HA TYR A 35 39.885 5.470 24.082 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.882 4.815 21.366 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.377 5.694 21.547 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.481 7.942 22.905 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.924 5.993 21.232 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.740 10.076 23.010 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.185 8.126 21.339 1.00 1.00 H new ATOM 0 HH TYR A 35 43.151 10.289 21.899 1.00 1.00 H new ATOM 510 N MET A 36 36.880 4.263 23.588 1.00 1.00 N ATOM 511 CA MET A 36 35.486 4.381 23.999 1.00 1.00 C ATOM 512 C MET A 36 35.331 4.022 25.474 1.00 1.00 C ATOM 513 O MET A 36 34.441 4.529 26.154 1.00 1.00 O ATOM 514 CB MET A 36 34.612 3.456 23.152 1.00 1.00 C ATOM 515 CG MET A 36 34.590 3.956 21.707 1.00 1.00 C ATOM 516 SD MET A 36 32.925 4.532 21.293 1.00 1.00 S ATOM 517 CE MET A 36 33.384 6.209 20.789 1.00 1.00 C ATOM 0 H MET A 36 37.098 3.418 23.059 1.00 1.00 H new ATOM 0 HA MET A 36 35.169 5.414 23.853 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.999 2.438 23.190 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.599 3.427 23.553 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.308 4.766 21.580 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.889 3.156 21.030 1.00 1.00 H new ATOM 0 HE1 MET A 36 32.491 6.755 20.487 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.859 6.723 21.625 1.00 1.00 H new ATOM 0 HE3 MET A 36 34.080 6.160 19.951 1.00 1.00 H new ATOM 527 N LEU A 37 36.204 3.147 25.959 1.00 1.00 N ATOM 528 CA LEU A 37 36.152 2.728 27.356 1.00 1.00 C ATOM 529 C LEU A 37 36.622 3.856 28.270 1.00 1.00 C ATOM 530 O LEU A 37 36.905 3.638 29.447 1.00 1.00 O ATOM 531 CB LEU A 37 37.039 1.494 27.564 1.00 1.00 C ATOM 532 CG LEU A 37 36.173 0.234 27.682 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.351 0.282 28.973 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.227 0.146 26.479 1.00 1.00 C ATOM 0 H LEU A 37 36.950 2.717 25.412 1.00 1.00 H new ATOM 0 HA LEU A 37 35.120 2.480 27.605 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.733 1.391 26.730 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.640 1.617 28.465 1.00 1.00 H new ATOM 0 HG LEU A 37 36.822 -0.642 27.702 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.739 -0.617 29.048 1.00 1.00 H new ATOM 0 HD12 LEU A 37 36.022 0.337 29.830 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.706 1.160 28.961 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.612 -0.750 26.564 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.584 1.026 26.456 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.811 0.099 25.560 1.00 1.00 H new ATOM 546 N VAL A 38 36.700 5.063 27.719 1.00 1.00 N ATOM 547 CA VAL A 38 37.134 6.219 28.494 1.00 1.00 C ATOM 548 C VAL A 38 36.285 7.439 28.153 1.00 1.00 C ATOM 549 O VAL A 38 36.252 8.413 28.906 1.00 1.00 O ATOM 550 CB VAL A 38 38.605 6.519 28.204 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.043 7.747 29.004 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.460 5.317 28.610 1.00 1.00 C ATOM 0 H VAL A 38 36.470 5.265 26.746 1.00 1.00 H new ATOM 0 HA VAL A 38 37.013 5.991 29.553 1.00 1.00 H new ATOM 0 HB VAL A 38 38.732 6.714 27.139 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.092 7.961 28.797 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.434 8.604 28.717 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.916 7.552 30.069 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.509 5.530 28.404 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.332 5.123 29.675 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.149 4.441 28.041 1.00 1.00 H new ATOM 562 N PHE A 39 35.600 7.378 27.016 1.00 1.00 N ATOM 563 CA PHE A 39 34.753 8.485 26.587 1.00 1.00 C ATOM 564 C PHE A 39 33.376 8.388 27.237 1.00 1.00 C ATOM 565 O PHE A 39 32.972 9.273 27.991 1.00 1.00 O ATOM 566 CB PHE A 39 34.603 8.469 25.064 1.00 1.00 C ATOM 567 CG PHE A 39 34.358 9.873 24.567 1.00 1.00 C ATOM 568 CD1 PHE A 39 35.436 10.742 24.363 1.00 1.00 C ATOM 569 CD2 PHE A 39 33.051 10.306 24.309 1.00 1.00 C ATOM 570 CE1 PHE A 39 35.209 12.044 23.902 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.824 11.608 23.848 1.00 1.00 C ATOM 572 CZ PHE A 39 33.902 12.477 23.645 1.00 1.00 C ATOM 0 H PHE A 39 35.614 6.581 26.380 1.00 1.00 H new ATOM 0 HA PHE A 39 35.223 9.419 26.895 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.503 8.061 24.604 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.775 7.820 24.776 1.00 1.00 H new ATOM 0 HD1 PHE A 39 36.444 10.408 24.561 1.00 1.00 H new ATOM 0 HD2 PHE A 39 32.219 9.636 24.466 1.00 1.00 H new ATOM 0 HE1 PHE A 39 36.041 12.714 23.745 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.816 11.942 23.649 1.00 1.00 H new ATOM 0 HZ PHE A 39 33.726 13.482 23.290 1.00 1.00 H new ATOM 582 N LEU A 40 32.662 7.307 26.940 1.00 1.00 N ATOM 583 CA LEU A 40 31.332 7.104 27.503 1.00 1.00 C ATOM 584 C LEU A 40 31.407 6.968 29.020 1.00 1.00 C ATOM 585 O LEU A 40 30.398 7.092 29.715 1.00 1.00 O ATOM 586 CB LEU A 40 30.696 5.848 26.905 1.00 1.00 C ATOM 587 CG LEU A 40 31.581 4.634 27.197 1.00 1.00 C ATOM 588 CD1 LEU A 40 30.959 3.807 28.324 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.696 3.772 25.939 1.00 1.00 C ATOM 0 H LEU A 40 32.979 6.563 26.318 1.00 1.00 H new ATOM 0 HA LEU A 40 30.719 7.971 27.258 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.702 5.696 27.326 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.571 5.969 25.829 1.00 1.00 H new ATOM 0 HG LEU A 40 32.572 4.973 27.499 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.590 2.943 28.532 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.876 4.420 29.222 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.968 3.469 28.023 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.326 2.907 26.147 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.704 3.434 25.637 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.139 4.359 25.135 1.00 1.00 H new ATOM 601 N LEU A 41 32.608 6.711 29.526 1.00 1.00 N ATOM 602 CA LEU A 41 32.803 6.559 30.964 1.00 1.00 C ATOM 603 C LEU A 41 32.766 7.918 31.656 1.00 1.00 C ATOM 604 O LEU A 41 32.626 8.000 32.876 1.00 1.00 O ATOM 605 CB LEU A 41 34.145 5.880 31.241 1.00 1.00 C ATOM 606 CG LEU A 41 33.904 4.500 31.855 1.00 1.00 C ATOM 607 CD1 LEU A 41 35.233 3.752 31.970 1.00 1.00 C ATOM 608 CD2 LEU A 41 33.290 4.664 33.248 1.00 1.00 C ATOM 0 H LEU A 41 33.455 6.604 28.968 1.00 1.00 H new ATOM 0 HA LEU A 41 31.996 5.941 31.357 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.713 5.783 30.316 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.741 6.492 31.918 1.00 1.00 H new ATOM 0 HG LEU A 41 33.223 3.934 31.220 1.00 1.00 H new ATOM 0 HD11 LEU A 41 35.060 2.769 32.408 1.00 1.00 H new ATOM 0 HD12 LEU A 41 35.672 3.636 30.979 1.00 1.00 H new ATOM 0 HD13 LEU A 41 35.915 4.317 32.605 1.00 1.00 H new ATOM 0 HD21 LEU A 41 33.117 3.682 33.687 1.00 1.00 H new ATOM 0 HD22 LEU A 41 33.972 5.230 33.882 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.343 5.197 33.168 1.00 1.00 H new ATOM 620 N GLY A 42 32.895 8.981 30.869 1.00 1.00 N ATOM 621 CA GLY A 42 32.875 10.332 31.418 1.00 1.00 C ATOM 622 C GLY A 42 31.487 10.950 31.295 1.00 1.00 C ATOM 623 O GLY A 42 30.957 11.504 32.258 1.00 1.00 O ATOM 0 H GLY A 42 33.014 8.935 29.857 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.175 10.307 32.466 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.601 10.953 30.893 1.00 1.00 H new ATOM 627 N THR A 43 30.903 10.851 30.105 1.00 1.00 N ATOM 628 CA THR A 43 29.575 11.404 29.868 1.00 1.00 C ATOM 629 C THR A 43 28.837 10.594 28.809 1.00 1.00 C ATOM 630 O THR A 43 28.898 9.364 28.800 1.00 1.00 O ATOM 631 CB THR A 43 29.691 12.861 29.412 1.00 1.00 C ATOM 632 OG1 THR A 43 28.390 13.401 29.224 1.00 1.00 O ATOM 633 CG2 THR A 43 30.465 12.925 28.095 1.00 1.00 C ATOM 0 H THR A 43 31.325 10.396 29.295 1.00 1.00 H new ATOM 0 HA THR A 43 29.011 11.358 30.800 1.00 1.00 H new ATOM 0 HB THR A 43 30.220 13.438 30.170 1.00 1.00 H new ATOM 0 HG1 THR A 43 27.739 12.869 29.727 1.00 1.00 H new ATOM 0 HG21 THR A 43 30.547 13.963 27.771 1.00 1.00 H new ATOM 0 HG22 THR A 43 31.463 12.510 28.239 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.938 12.348 27.335 1.00 1.00 H new ATOM 641 N THR A 44 28.140 11.290 27.917 1.00 1.00 N ATOM 642 CA THR A 44 27.393 10.625 26.856 1.00 1.00 C ATOM 643 C THR A 44 26.325 9.710 27.445 1.00 1.00 C ATOM 644 O THR A 44 25.135 10.026 27.411 1.00 1.00 O ATOM 645 CB THR A 44 28.344 9.805 25.981 1.00 1.00 C ATOM 646 OG1 THR A 44 29.504 10.576 25.695 1.00 1.00 O ATOM 647 CG2 THR A 44 27.644 9.430 24.674 1.00 1.00 C ATOM 0 H THR A 44 28.077 12.308 27.907 1.00 1.00 H new ATOM 0 HA THR A 44 26.907 11.388 26.248 1.00 1.00 H new ATOM 0 HB THR A 44 28.631 8.896 26.509 1.00 1.00 H new ATOM 0 HG1 THR A 44 30.115 10.052 25.136 1.00 1.00 H new ATOM 0 HG21 THR A 44 28.323 8.846 24.052 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.755 8.839 24.894 1.00 1.00 H new ATOM 0 HG23 THR A 44 27.355 10.337 24.143 1.00 1.00 H new ATOM 655 N GLY A 45 26.756 8.575 27.985 1.00 1.00 N ATOM 656 CA GLY A 45 25.826 7.621 28.580 1.00 1.00 C ATOM 657 C GLY A 45 25.778 7.780 30.095 1.00 1.00 C ATOM 658 O GLY A 45 25.509 6.824 30.821 1.00 1.00 O ATOM 0 H GLY A 45 27.736 8.294 28.023 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.830 7.770 28.163 1.00 1.00 H new ATOM 0 HA3 GLY A 45 26.129 6.605 28.326 1.00 1.00 H new ATOM 662 N ASN A 46 26.043 8.994 30.566 1.00 1.00 N ATOM 663 CA ASN A 46 26.028 9.268 31.998 1.00 1.00 C ATOM 664 C ASN A 46 25.747 10.745 32.259 1.00 1.00 C ATOM 665 O ASN A 46 26.534 11.612 31.880 1.00 1.00 O ATOM 666 CB ASN A 46 27.373 8.884 32.617 1.00 1.00 C ATOM 667 CG ASN A 46 27.669 7.413 32.347 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.263 6.545 33.120 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.357 7.078 31.289 1.00 1.00 N ATOM 0 H ASN A 46 26.269 9.799 29.982 1.00 1.00 H new ATOM 0 HA ASN A 46 25.236 8.674 32.454 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.165 9.506 32.200 1.00 1.00 H new ATOM 0 HB3 ASN A 46 27.355 9.069 33.691 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.559 6.096 31.102 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.693 7.798 30.650 1.00 1.00 H new ATOM 676 N GLY A 47 24.621 11.023 32.907 1.00 1.00 N ATOM 677 CA GLY A 47 24.247 12.398 33.212 1.00 1.00 C ATOM 678 C GLY A 47 23.462 13.017 32.061 1.00 1.00 C ATOM 679 O GLY A 47 22.715 13.976 32.251 1.00 1.00 O ATOM 0 H GLY A 47 23.956 10.320 33.229 1.00 1.00 H new ATOM 0 HA2 GLY A 47 23.647 12.422 34.121 1.00 1.00 H new ATOM 0 HA3 GLY A 47 25.143 12.988 33.405 1.00 1.00 H new ATOM 683 N LEU A 48 23.638 12.460 30.867 1.00 1.00 N ATOM 684 CA LEU A 48 22.940 12.963 29.688 1.00 1.00 C ATOM 685 C LEU A 48 21.780 12.045 29.319 1.00 1.00 C ATOM 686 O LEU A 48 20.856 12.451 28.613 1.00 1.00 O ATOM 687 CB LEU A 48 23.912 13.060 28.510 1.00 1.00 C ATOM 688 CG LEU A 48 24.113 14.529 28.131 1.00 1.00 C ATOM 689 CD1 LEU A 48 25.213 14.638 27.074 1.00 1.00 C ATOM 690 CD2 LEU A 48 22.807 15.092 27.567 1.00 1.00 C ATOM 0 H LEU A 48 24.253 11.666 30.690 1.00 1.00 H new ATOM 0 HA LEU A 48 22.545 13.953 29.917 1.00 1.00 H new ATOM 0 HB2 LEU A 48 24.868 12.608 28.776 1.00 1.00 H new ATOM 0 HB3 LEU A 48 23.523 12.504 27.657 1.00 1.00 H new ATOM 0 HG LEU A 48 24.402 15.096 29.016 1.00 1.00 H new ATOM 0 HD11 LEU A 48 25.356 15.684 26.804 1.00 1.00 H new ATOM 0 HD12 LEU A 48 26.144 14.236 27.475 1.00 1.00 H new ATOM 0 HD13 LEU A 48 24.924 14.071 26.189 1.00 1.00 H new ATOM 0 HD21 LEU A 48 22.949 16.138 27.297 1.00 1.00 H new ATOM 0 HD22 LEU A 48 22.518 14.524 26.682 1.00 1.00 H new ATOM 0 HD23 LEU A 48 22.022 15.015 28.320 1.00 1.00 H new ATOM 702 N VAL A 49 21.836 10.806 29.797 1.00 1.00 N ATOM 703 CA VAL A 49 20.783 9.838 29.510 1.00 1.00 C ATOM 704 C VAL A 49 19.506 10.190 30.267 1.00 1.00 C ATOM 705 O VAL A 49 18.402 10.033 29.747 1.00 1.00 O ATOM 706 CB VAL A 49 21.243 8.435 29.907 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.022 7.533 30.100 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.131 7.859 28.801 1.00 1.00 C ATOM 0 H VAL A 49 22.593 10.450 30.381 1.00 1.00 H new ATOM 0 HA VAL A 49 20.575 9.864 28.440 1.00 1.00 H new ATOM 0 HB VAL A 49 21.807 8.487 30.838 1.00 1.00 H new ATOM 0 HG11 VAL A 49 20.350 6.533 30.383 1.00 1.00 H new ATOM 0 HG12 VAL A 49 19.387 7.943 30.886 1.00 1.00 H new ATOM 0 HG13 VAL A 49 19.458 7.480 29.169 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.460 6.859 29.082 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.566 7.807 27.871 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.001 8.501 28.661 1.00 1.00 H new ATOM 718 N LEU A 50 19.666 10.666 31.498 1.00 1.00 N ATOM 719 CA LEU A 50 18.518 11.035 32.318 1.00 1.00 C ATOM 720 C LEU A 50 17.962 12.388 31.885 1.00 1.00 C ATOM 721 O LEU A 50 16.749 12.558 31.756 1.00 1.00 O ATOM 722 CB LEU A 50 18.921 11.095 33.793 1.00 1.00 C ATOM 723 CG LEU A 50 20.379 11.547 33.913 1.00 1.00 C ATOM 724 CD1 LEU A 50 20.571 12.307 35.226 1.00 1.00 C ATOM 725 CD2 LEU A 50 21.297 10.320 33.897 1.00 1.00 C ATOM 0 H LEU A 50 20.572 10.804 31.946 1.00 1.00 H new ATOM 0 HA LEU A 50 17.746 10.277 32.185 1.00 1.00 H new ATOM 0 HB2 LEU A 50 18.271 11.786 34.330 1.00 1.00 H new ATOM 0 HB3 LEU A 50 18.795 10.116 34.254 1.00 1.00 H new ATOM 0 HG LEU A 50 20.627 12.199 33.075 1.00 1.00 H new ATOM 0 HD11 LEU A 50 21.609 12.629 35.312 1.00 1.00 H new ATOM 0 HD12 LEU A 50 19.918 13.180 35.240 1.00 1.00 H new ATOM 0 HD13 LEU A 50 20.323 11.655 36.063 1.00 1.00 H new ATOM 0 HD21 LEU A 50 22.335 10.641 33.982 1.00 1.00 H new ATOM 0 HD22 LEU A 50 21.049 9.669 34.735 1.00 1.00 H new ATOM 0 HD23 LEU A 50 21.161 9.776 32.962 1.00 1.00 H new ATOM 737 N TRP A 51 18.854 13.347 31.663 1.00 1.00 N ATOM 738 CA TRP A 51 18.438 14.680 31.245 1.00 1.00 C ATOM 739 C TRP A 51 17.379 14.594 30.150 1.00 1.00 C ATOM 740 O TRP A 51 16.435 15.383 30.123 1.00 1.00 O ATOM 741 CB TRP A 51 19.645 15.467 30.729 1.00 1.00 C ATOM 742 CG TRP A 51 19.313 16.077 29.405 1.00 1.00 C ATOM 743 CD1 TRP A 51 19.353 15.429 28.219 1.00 1.00 C ATOM 744 CD2 TRP A 51 18.892 17.441 29.112 1.00 1.00 C ATOM 745 NE1 TRP A 51 18.984 16.308 27.216 1.00 1.00 N ATOM 746 CE2 TRP A 51 18.691 17.560 27.718 1.00 1.00 C ATOM 747 CE3 TRP A 51 18.668 18.575 29.915 1.00 1.00 C ATOM 748 CZ2 TRP A 51 18.281 18.762 27.138 1.00 1.00 C ATOM 749 CZ3 TRP A 51 18.256 19.786 29.334 1.00 1.00 C ATOM 750 CH2 TRP A 51 18.063 19.879 27.948 1.00 1.00 C ATOM 0 H TRP A 51 19.862 13.228 31.765 1.00 1.00 H new ATOM 0 HA TRP A 51 18.011 15.193 32.107 1.00 1.00 H new ATOM 0 HB2 TRP A 51 19.917 16.245 31.442 1.00 1.00 H new ATOM 0 HB3 TRP A 51 20.508 14.808 30.632 1.00 1.00 H new ATOM 0 HD1 TRP A 51 19.628 14.394 28.078 1.00 1.00 H new ATOM 0 HE1 TRP A 51 18.935 16.061 26.228 1.00 1.00 H new ATOM 0 HE3 TRP A 51 18.814 18.514 30.983 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 18.133 18.828 26.070 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 18.087 20.651 29.959 1.00 1.00 H new ATOM 0 HH2 TRP A 51 17.746 20.813 27.508 1.00 1.00 H new ATOM 761 N THR A 52 17.544 13.630 29.250 1.00 1.00 N ATOM 762 CA THR A 52 16.596 13.449 28.157 1.00 1.00 C ATOM 763 C THR A 52 15.270 12.907 28.682 1.00 1.00 C ATOM 764 O THR A 52 14.212 13.488 28.442 1.00 1.00 O ATOM 765 CB THR A 52 17.171 12.481 27.121 1.00 1.00 C ATOM 766 OG1 THR A 52 18.240 13.112 26.428 1.00 1.00 O ATOM 767 CG2 THR A 52 16.079 12.086 26.126 1.00 1.00 C ATOM 0 H THR A 52 18.319 12.967 29.255 1.00 1.00 H new ATOM 0 HA THR A 52 16.420 14.418 27.690 1.00 1.00 H new ATOM 0 HB THR A 52 17.540 11.587 27.624 1.00 1.00 H new ATOM 0 HG1 THR A 52 18.449 13.967 26.858 1.00 1.00 H new ATOM 0 HG21 THR A 52 16.491 11.397 25.389 1.00 1.00 H new ATOM 0 HG22 THR A 52 15.260 11.602 26.658 1.00 1.00 H new ATOM 0 HG23 THR A 52 15.707 12.978 25.621 1.00 1.00 H new ATOM 775 N VAL A 53 15.336 11.789 29.399 1.00 1.00 N ATOM 776 CA VAL A 53 14.134 11.178 29.953 1.00 1.00 C ATOM 777 C VAL A 53 13.280 12.222 30.663 1.00 1.00 C ATOM 778 O VAL A 53 12.079 12.030 30.857 1.00 1.00 O ATOM 779 CB VAL A 53 14.517 10.072 30.939 1.00 1.00 C ATOM 780 CG1 VAL A 53 13.249 9.417 31.490 1.00 1.00 C ATOM 781 CG2 VAL A 53 15.361 9.019 30.218 1.00 1.00 C ATOM 0 H VAL A 53 16.202 11.292 29.608 1.00 1.00 H new ATOM 0 HA VAL A 53 13.556 10.750 29.134 1.00 1.00 H new ATOM 0 HB VAL A 53 15.091 10.500 31.761 1.00 1.00 H new ATOM 0 HG11 VAL A 53 13.522 8.629 32.192 1.00 1.00 H new ATOM 0 HG12 VAL A 53 12.645 10.166 32.002 1.00 1.00 H new ATOM 0 HG13 VAL A 53 12.675 8.988 30.669 1.00 1.00 H new ATOM 0 HG21 VAL A 53 15.635 8.230 30.919 1.00 1.00 H new ATOM 0 HG22 VAL A 53 14.786 8.591 29.397 1.00 1.00 H new ATOM 0 HG23 VAL A 53 16.265 9.484 29.824 1.00 1.00 H new ATOM 791 N PHE A 54 13.907 13.328 31.051 1.00 1.00 N ATOM 792 CA PHE A 54 13.194 14.397 31.741 1.00 1.00 C ATOM 793 C PHE A 54 12.746 15.468 30.750 1.00 1.00 C ATOM 794 O PHE A 54 12.533 16.621 31.124 1.00 1.00 O ATOM 795 CB PHE A 54 14.097 15.027 32.803 1.00 1.00 C ATOM 796 CG PHE A 54 13.351 15.114 34.113 1.00 1.00 C ATOM 797 CD1 PHE A 54 12.091 15.724 34.159 1.00 1.00 C ATOM 798 CD2 PHE A 54 13.915 14.585 35.280 1.00 1.00 C ATOM 799 CE1 PHE A 54 11.397 15.805 35.372 1.00 1.00 C ATOM 800 CE2 PHE A 54 13.222 14.667 36.492 1.00 1.00 C ATOM 801 CZ PHE A 54 11.963 15.277 36.539 1.00 1.00 C ATOM 0 H PHE A 54 14.900 13.507 30.901 1.00 1.00 H new ATOM 0 HA PHE A 54 12.313 13.970 32.221 1.00 1.00 H new ATOM 0 HB2 PHE A 54 15.001 14.431 32.926 1.00 1.00 H new ATOM 0 HB3 PHE A 54 14.411 16.021 32.485 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.655 16.132 33.259 1.00 1.00 H new ATOM 0 HD2 PHE A 54 14.886 14.113 35.244 1.00 1.00 H new ATOM 0 HE1 PHE A 54 10.425 16.275 35.408 1.00 1.00 H new ATOM 0 HE2 PHE A 54 13.658 14.260 37.392 1.00 1.00 H new ATOM 0 HZ PHE A 54 11.428 15.340 37.475 1.00 1.00 H new ATOM 811 N ARG A 55 12.609 15.076 29.486 1.00 1.00 N ATOM 812 CA ARG A 55 12.185 16.007 28.445 1.00 1.00 C ATOM 813 C ARG A 55 11.052 15.407 27.619 1.00 1.00 C ATOM 814 O ARG A 55 9.972 15.990 27.513 1.00 1.00 O ATOM 815 CB ARG A 55 13.365 16.336 27.528 1.00 1.00 C ATOM 816 CG ARG A 55 14.454 17.055 28.328 1.00 1.00 C ATOM 817 CD ARG A 55 14.731 18.422 27.700 1.00 1.00 C ATOM 818 NE ARG A 55 13.556 19.278 27.815 1.00 1.00 N ATOM 819 CZ ARG A 55 13.502 20.458 27.206 1.00 1.00 C ATOM 820 NH1 ARG A 55 14.513 20.868 26.488 1.00 1.00 N ATOM 821 NH2 ARG A 55 12.439 21.206 27.325 1.00 1.00 N ATOM 0 H ARG A 55 12.784 14.126 29.159 1.00 1.00 H new ATOM 0 HA ARG A 55 11.829 16.919 28.923 1.00 1.00 H new ATOM 0 HB2 ARG A 55 13.765 15.421 27.091 1.00 1.00 H new ATOM 0 HB3 ARG A 55 13.032 16.964 26.702 1.00 1.00 H new ATOM 0 HG2 ARG A 55 14.138 17.176 29.364 1.00 1.00 H new ATOM 0 HG3 ARG A 55 15.365 16.457 28.340 1.00 1.00 H new ATOM 0 HD2 ARG A 55 15.581 18.892 28.194 1.00 1.00 H new ATOM 0 HD3 ARG A 55 15.000 18.300 26.651 1.00 1.00 H new ATOM 0 HE ARG A 55 12.761 18.965 28.373 1.00 1.00 H new ATOM 0 HH11 ARG A 55 15.343 20.283 26.395 1.00 1.00 H new ATOM 0 HH12 ARG A 55 14.472 21.774 26.020 1.00 1.00 H new ATOM 0 HH21 ARG A 55 11.650 20.885 27.885 1.00 1.00 H new ATOM 0 HH22 ARG A 55 12.398 22.112 26.858 1.00 1.00 H new ATOM 835 N LYS A 56 11.304 14.238 27.039 1.00 1.00 N ATOM 836 CA LYS A 56 10.296 13.568 26.225 1.00 1.00 C ATOM 837 C LYS A 56 8.957 13.531 26.955 1.00 1.00 C ATOM 838 O LYS A 56 7.933 13.945 26.412 1.00 1.00 O ATOM 839 CB LYS A 56 10.747 12.140 25.909 1.00 1.00 C ATOM 840 CG LYS A 56 12.209 12.153 25.461 1.00 1.00 C ATOM 841 CD LYS A 56 12.370 11.281 24.214 1.00 1.00 C ATOM 842 CE LYS A 56 11.925 9.852 24.528 1.00 1.00 C ATOM 843 NZ LYS A 56 12.981 8.896 24.093 1.00 1.00 N ATOM 0 H LYS A 56 12.190 13.738 27.116 1.00 1.00 H new ATOM 0 HA LYS A 56 10.175 14.125 25.296 1.00 1.00 H new ATOM 0 HB2 LYS A 56 10.631 11.508 26.789 1.00 1.00 H new ATOM 0 HB3 LYS A 56 10.120 11.714 25.126 1.00 1.00 H new ATOM 0 HG2 LYS A 56 12.525 13.174 25.247 1.00 1.00 H new ATOM 0 HG3 LYS A 56 12.849 11.782 26.262 1.00 1.00 H new ATOM 0 HD2 LYS A 56 11.776 11.686 23.395 1.00 1.00 H new ATOM 0 HD3 LYS A 56 13.410 11.285 23.886 1.00 1.00 H new ATOM 0 HE2 LYS A 56 11.740 9.744 25.597 1.00 1.00 H new ATOM 0 HE3 LYS A 56 10.987 9.631 24.018 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 12.679 7.924 24.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 13.137 8.993 23.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 13.866 9.102 24.599 1.00 1.00 H new ATOM 857 N LYS A 57 8.973 13.032 28.186 1.00 1.00 N ATOM 858 CA LYS A 57 7.753 12.947 28.981 1.00 1.00 C ATOM 859 C LYS A 57 7.394 14.310 29.560 1.00 1.00 C ATOM 860 O LYS A 57 6.995 14.418 30.720 1.00 1.00 O ATOM 861 CB LYS A 57 7.940 11.940 30.117 1.00 1.00 C ATOM 862 CG LYS A 57 8.152 10.542 29.532 1.00 1.00 C ATOM 863 CD LYS A 57 9.318 9.859 30.250 1.00 1.00 C ATOM 864 CE LYS A 57 9.017 9.775 31.747 1.00 1.00 C ATOM 865 NZ LYS A 57 9.520 8.479 32.284 1.00 1.00 N ATOM 0 H LYS A 57 9.810 12.683 28.652 1.00 1.00 H new ATOM 0 HA LYS A 57 6.941 12.617 28.333 1.00 1.00 H new ATOM 0 HB2 LYS A 57 8.796 12.223 30.730 1.00 1.00 H new ATOM 0 HB3 LYS A 57 7.066 11.944 30.768 1.00 1.00 H new ATOM 0 HG2 LYS A 57 7.245 9.948 29.643 1.00 1.00 H new ATOM 0 HG3 LYS A 57 8.359 10.611 28.464 1.00 1.00 H new ATOM 0 HD2 LYS A 57 9.474 8.860 29.843 1.00 1.00 H new ATOM 0 HD3 LYS A 57 10.239 10.418 30.084 1.00 1.00 H new ATOM 0 HE2 LYS A 57 9.490 10.606 32.271 1.00 1.00 H new ATOM 0 HE3 LYS A 57 7.944 9.860 31.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 9.346 8.437 33.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 9.025 7.694 31.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 10.541 8.401 32.103 1.00 1.00 H new ATOM 879 N GLY A 58 7.539 15.351 28.746 1.00 1.00 N ATOM 880 CA GLY A 58 7.227 16.705 29.189 1.00 1.00 C ATOM 881 C GLY A 58 5.824 16.774 29.783 1.00 1.00 C ATOM 882 O GLY A 58 5.640 16.598 30.987 1.00 1.00 O ATOM 0 H GLY A 58 7.868 15.284 27.783 1.00 1.00 H new ATOM 0 HA2 GLY A 58 7.957 17.026 29.932 1.00 1.00 H new ATOM 0 HA3 GLY A 58 7.304 17.394 28.348 1.00 1.00 H new ATOM 886 N HIS A 59 4.838 17.031 28.930 1.00 1.00 N ATOM 887 CA HIS A 59 3.454 17.121 29.381 1.00 1.00 C ATOM 888 C HIS A 59 2.701 15.834 29.062 1.00 1.00 C ATOM 889 O HIS A 59 2.044 15.257 29.927 1.00 1.00 O ATOM 890 CB HIS A 59 2.759 18.304 28.703 1.00 1.00 C ATOM 891 CG HIS A 59 3.686 19.488 28.687 1.00 1.00 C ATOM 892 ND1 HIS A 59 4.328 19.940 29.829 1.00 1.00 N ATOM 893 CD2 HIS A 59 4.089 20.325 27.675 1.00 1.00 C ATOM 894 CE1 HIS A 59 5.075 21.003 29.481 1.00 1.00 C ATOM 895 NE2 HIS A 59 4.966 21.281 28.179 1.00 1.00 N ATOM 0 H HIS A 59 4.970 17.180 27.930 1.00 1.00 H new ATOM 0 HA HIS A 59 3.453 17.270 30.461 1.00 1.00 H new ATOM 0 HB2 HIS A 59 2.474 18.038 27.685 1.00 1.00 H new ATOM 0 HB3 HIS A 59 1.841 18.554 29.235 1.00 1.00 H new ATOM 0 HD2 HIS A 59 3.773 20.252 26.645 1.00 1.00 H new ATOM 0 HE1 HIS A 59 5.689 21.564 30.171 1.00 1.00 H new ATOM 0 HE2 HIS A 59 5.426 22.032 27.665 1.00 1.00 H new ATOM 903 N HIS A 60 2.802 15.390 27.813 1.00 1.00 N ATOM 904 CA HIS A 60 2.126 14.169 27.390 1.00 1.00 C ATOM 905 C HIS A 60 2.417 13.031 28.363 1.00 1.00 C ATOM 906 O HIS A 60 3.556 12.844 28.791 1.00 1.00 O ATOM 907 CB HIS A 60 2.588 13.775 25.986 1.00 1.00 C ATOM 908 CG HIS A 60 1.390 13.479 25.127 1.00 1.00 C ATOM 909 ND1 HIS A 60 0.911 14.380 24.190 1.00 1.00 N ATOM 910 CD2 HIS A 60 0.562 12.386 25.052 1.00 1.00 C ATOM 911 CE1 HIS A 60 -0.158 13.820 23.596 1.00 1.00 C ATOM 912 NE2 HIS A 60 -0.415 12.603 24.085 1.00 1.00 N ATOM 0 H HIS A 60 3.341 15.853 27.081 1.00 1.00 H new ATOM 0 HA HIS A 60 1.052 14.356 27.379 1.00 1.00 H new ATOM 0 HB2 HIS A 60 3.174 14.581 25.545 1.00 1.00 H new ATOM 0 HB3 HIS A 60 3.237 12.901 26.037 1.00 1.00 H new ATOM 0 HD2 HIS A 60 0.655 11.493 25.653 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -0.738 14.296 22.819 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -1.165 11.970 23.809 1.00 1.00 H new ATOM 920 N HIS A 61 1.380 12.274 28.707 1.00 1.00 N ATOM 921 CA HIS A 61 1.537 11.155 29.630 1.00 1.00 C ATOM 922 C HIS A 61 1.661 9.842 28.865 1.00 1.00 C ATOM 923 O HIS A 61 1.281 9.755 27.697 1.00 1.00 O ATOM 924 CB HIS A 61 0.336 11.087 30.575 1.00 1.00 C ATOM 925 CG HIS A 61 -0.929 10.965 29.771 1.00 1.00 C ATOM 926 ND1 HIS A 61 -1.318 9.772 29.181 1.00 1.00 N ATOM 927 CD2 HIS A 61 -1.904 11.876 29.449 1.00 1.00 C ATOM 928 CE1 HIS A 61 -2.480 9.996 28.541 1.00 1.00 C ATOM 929 NE2 HIS A 61 -2.882 11.263 28.673 1.00 1.00 N ATOM 0 H HIS A 61 0.429 12.413 28.364 1.00 1.00 H new ATOM 0 HA HIS A 61 2.447 11.311 30.209 1.00 1.00 H new ATOM 0 HB2 HIS A 61 0.436 10.234 31.247 1.00 1.00 H new ATOM 0 HB3 HIS A 61 0.299 11.981 31.198 1.00 1.00 H new ATOM 0 HD2 HIS A 61 -1.911 12.912 29.752 1.00 1.00 H new ATOM 0 HE1 HIS A 61 -3.022 9.243 27.988 1.00 1.00 H new ATOM 0 HE2 HIS A 61 -3.725 11.689 28.288 1.00 1.00 H new ATOM 937 N HIS A 62 2.194 8.823 29.531 1.00 1.00 N ATOM 938 CA HIS A 62 2.363 7.518 28.903 1.00 1.00 C ATOM 939 C HIS A 62 1.022 6.982 28.412 1.00 1.00 C ATOM 940 O HIS A 62 0.202 6.516 29.204 1.00 1.00 O ATOM 941 CB HIS A 62 2.975 6.533 29.901 1.00 1.00 C ATOM 942 CG HIS A 62 4.472 6.531 29.751 1.00 1.00 C ATOM 943 ND1 HIS A 62 5.220 5.367 29.826 1.00 1.00 N ATOM 944 CD2 HIS A 62 5.373 7.543 29.530 1.00 1.00 C ATOM 945 CE1 HIS A 62 6.512 5.704 29.653 1.00 1.00 C ATOM 946 NE2 HIS A 62 6.660 7.018 29.469 1.00 1.00 N ATOM 0 H HIS A 62 2.514 8.875 30.498 1.00 1.00 H new ATOM 0 HA HIS A 62 3.031 7.630 28.049 1.00 1.00 H new ATOM 0 HB2 HIS A 62 2.701 6.813 30.918 1.00 1.00 H new ATOM 0 HB3 HIS A 62 2.580 5.532 29.728 1.00 1.00 H new ATOM 0 HD2 HIS A 62 5.121 8.587 29.420 1.00 1.00 H new ATOM 0 HE1 HIS A 62 7.329 4.998 29.662 1.00 1.00 H new ATOM 0 HE2 HIS A 62 7.530 7.528 29.316 1.00 1.00 H new ATOM 954 N HIS A 63 0.806 7.050 27.103 1.00 1.00 N ATOM 955 CA HIS A 63 -0.440 6.568 26.518 1.00 1.00 C ATOM 956 C HIS A 63 -0.810 5.205 27.093 1.00 1.00 C ATOM 957 O HIS A 63 0.060 4.445 27.521 1.00 1.00 O ATOM 958 CB HIS A 63 -0.296 6.461 24.998 1.00 1.00 C ATOM 959 CG HIS A 63 -1.454 7.156 24.336 1.00 1.00 C ATOM 960 ND1 HIS A 63 -2.681 6.538 24.153 1.00 1.00 N ATOM 961 CD2 HIS A 63 -1.587 8.416 23.806 1.00 1.00 C ATOM 962 CE1 HIS A 63 -3.492 7.417 23.538 1.00 1.00 C ATOM 963 NE2 HIS A 63 -2.875 8.578 23.303 1.00 1.00 N ATOM 0 H HIS A 63 1.472 7.431 26.431 1.00 1.00 H new ATOM 0 HA HIS A 63 -1.231 7.278 26.759 1.00 1.00 H new ATOM 0 HB2 HIS A 63 0.644 6.911 24.678 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -0.266 5.414 24.697 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -0.811 9.167 23.783 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -4.517 7.209 23.267 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -3.264 9.406 22.852 1.00 1.00 H new ATOM 971 N HIS A 64 -2.103 4.902 27.099 1.00 1.00 N ATOM 972 CA HIS A 64 -2.576 3.626 27.624 1.00 1.00 C ATOM 973 C HIS A 64 -1.921 2.465 26.882 1.00 1.00 C ATOM 974 O HIS A 64 -1.707 2.597 25.688 1.00 1.00 O ATOM 975 CB HIS A 64 -4.097 3.534 27.479 1.00 1.00 C ATOM 976 CG HIS A 64 -4.510 2.088 27.451 1.00 1.00 C ATOM 977 ND1 HIS A 64 -4.751 1.365 28.609 1.00 1.00 N ATOM 978 CD2 HIS A 64 -4.731 1.216 26.413 1.00 1.00 C ATOM 979 CE1 HIS A 64 -5.099 0.117 28.244 1.00 1.00 C ATOM 980 NE2 HIS A 64 -5.102 -0.026 26.916 1.00 1.00 N ATOM 981 OXT HIS A 64 -1.645 1.462 27.519 1.00 1.00 O ATOM 0 H HIS A 64 -2.838 5.517 26.749 1.00 1.00 H new ATOM 0 HA HIS A 64 -2.307 3.566 28.679 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -4.584 4.047 28.309 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -4.417 4.033 26.564 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -4.632 1.458 25.365 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -5.345 -0.672 28.939 1.00 1.00 H new ATOM 0 HE2 HIS A 64 -5.328 -0.867 26.384 1.00 1.00 H new TER 989 HIS A 64