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 43 THR OG1 : rot 180:sc= -0.0878 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -1.3 (180deg=-1.38) USER MOD Single : A 9 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.92) 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= 0.32 X(o=0.32,f=-0.041) USER MOD Single : A 16 GLN : amide:sc= -0.854 K(o=-0.85,f=-0.063) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0694 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 -120:sc= -0.0872 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.104 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 46 ASN : amide:sc= -4.75! C(o=-4.7!,f=-5.7!) USER MOD Single : A 52 THR OG1 : rot 10:sc= 0.199 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -1.75! (180deg=-2.3!) USER MOD Single : A 59 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-1.3) USER MOD Single : A 60 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -2.35! K(o=-2.3!,f=-1.2) USER MOD Single : A 63 HIS : no HD1:sc= -0.0877 X(o=-0.088,f=-0.11) USER MOD Single : A 64 HIS : no HE2:sc= -0.714 K(o=-0.71,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.134 8.752 61.346 1.00 1.00 N ATOM 2 CA MET A 1 22.826 9.696 62.269 1.00 1.00 C ATOM 3 C MET A 1 23.583 10.738 61.452 1.00 1.00 C ATOM 4 O MET A 1 24.599 11.269 61.897 1.00 1.00 O ATOM 5 CB MET A 1 23.801 8.918 63.154 1.00 1.00 C ATOM 6 CG MET A 1 23.020 7.945 64.041 1.00 1.00 C ATOM 7 SD MET A 1 22.267 8.852 65.414 1.00 1.00 S ATOM 8 CE MET A 1 21.831 7.414 66.423 1.00 1.00 C ATOM 0 H1 MET A 1 21.497 8.137 61.892 1.00 1.00 H new ATOM 0 H2 MET A 1 21.581 9.291 60.649 1.00 1.00 H new ATOM 0 H3 MET A 1 22.840 8.169 60.853 1.00 1.00 H new ATOM 0 HA MET A 1 22.093 10.198 62.900 1.00 1.00 H new ATOM 0 HB2 MET A 1 24.513 8.372 62.536 1.00 1.00 H new ATOM 0 HB3 MET A 1 24.378 9.607 63.771 1.00 1.00 H new ATOM 0 HG2 MET A 1 22.249 7.442 63.457 1.00 1.00 H new ATOM 0 HG3 MET A 1 23.685 7.171 64.424 1.00 1.00 H new ATOM 0 HE1 MET A 1 21.344 7.747 67.339 1.00 1.00 H new ATOM 0 HE2 MET A 1 21.152 6.770 65.864 1.00 1.00 H new ATOM 0 HE3 MET A 1 22.734 6.858 66.674 1.00 1.00 H new ATOM 20 N GLU A 2 23.082 11.021 60.253 1.00 1.00 N ATOM 21 CA GLU A 2 23.716 11.996 59.376 1.00 1.00 C ATOM 22 C GLU A 2 25.058 11.468 58.888 1.00 1.00 C ATOM 23 O GLU A 2 25.888 11.029 59.684 1.00 1.00 O ATOM 24 CB GLU A 2 23.921 13.320 60.117 1.00 1.00 C ATOM 25 CG GLU A 2 22.738 13.575 61.053 1.00 1.00 C ATOM 26 CD GLU A 2 22.449 15.070 61.133 1.00 1.00 C ATOM 27 OE1 GLU A 2 21.695 15.553 60.304 1.00 1.00 O ATOM 28 OE2 GLU A 2 22.984 15.710 62.024 1.00 1.00 O ATOM 0 H GLU A 2 22.241 10.590 59.869 1.00 1.00 H new ATOM 0 HA GLU A 2 23.066 12.166 58.518 1.00 1.00 H new ATOM 0 HB2 GLU A 2 24.849 13.288 60.688 1.00 1.00 H new ATOM 0 HB3 GLU A 2 24.014 14.137 59.402 1.00 1.00 H new ATOM 0 HG2 GLU A 2 21.857 13.045 60.692 1.00 1.00 H new ATOM 0 HG3 GLU A 2 22.959 13.185 62.047 1.00 1.00 H new ATOM 35 N GLU A 3 25.264 11.510 57.576 1.00 1.00 N ATOM 36 CA GLU A 3 26.510 11.032 56.996 1.00 1.00 C ATOM 37 C GLU A 3 26.515 9.508 56.917 1.00 1.00 C ATOM 38 O GLU A 3 26.684 8.826 57.928 1.00 1.00 O ATOM 39 CB GLU A 3 27.691 11.504 57.844 1.00 1.00 C ATOM 40 CG GLU A 3 28.899 11.764 56.942 1.00 1.00 C ATOM 41 CD GLU A 3 29.269 10.490 56.189 1.00 1.00 C ATOM 42 OE1 GLU A 3 29.741 9.564 56.827 1.00 1.00 O ATOM 43 OE2 GLU A 3 29.074 10.460 54.985 1.00 1.00 O ATOM 0 H GLU A 3 24.589 11.868 56.900 1.00 1.00 H new ATOM 0 HA GLU A 3 26.600 11.436 55.988 1.00 1.00 H new ATOM 0 HB2 GLU A 3 27.424 12.413 58.383 1.00 1.00 H new ATOM 0 HB3 GLU A 3 27.938 10.751 58.592 1.00 1.00 H new ATOM 0 HG2 GLU A 3 28.671 12.561 56.235 1.00 1.00 H new ATOM 0 HG3 GLU A 3 29.745 12.101 57.541 1.00 1.00 H new ATOM 50 N GLY A 4 26.327 8.982 55.711 1.00 1.00 N ATOM 51 CA GLY A 4 26.311 7.537 55.510 1.00 1.00 C ATOM 52 C GLY A 4 24.888 7.032 55.304 1.00 1.00 C ATOM 53 O GLY A 4 24.563 5.900 55.658 1.00 1.00 O ATOM 0 H GLY A 4 26.184 9.530 54.863 1.00 1.00 H new ATOM 0 HA2 GLY A 4 26.921 7.280 54.644 1.00 1.00 H new ATOM 0 HA3 GLY A 4 26.756 7.041 56.373 1.00 1.00 H new ATOM 57 N GLY A 5 24.044 7.882 54.728 1.00 1.00 N ATOM 58 CA GLY A 5 22.656 7.511 54.478 1.00 1.00 C ATOM 59 C GLY A 5 22.549 6.582 53.274 1.00 1.00 C ATOM 60 O GLY A 5 23.303 5.616 53.154 1.00 1.00 O ATOM 0 H GLY A 5 24.294 8.824 54.428 1.00 1.00 H new ATOM 0 HA2 GLY A 5 22.242 7.020 55.359 1.00 1.00 H new ATOM 0 HA3 GLY A 5 22.061 8.408 54.304 1.00 1.00 H new ATOM 64 N ASP A 6 21.606 6.880 52.384 1.00 1.00 N ATOM 65 CA ASP A 6 21.410 6.063 51.192 1.00 1.00 C ATOM 66 C ASP A 6 21.082 6.941 49.989 1.00 1.00 C ATOM 67 O ASP A 6 20.543 8.039 50.138 1.00 1.00 O ATOM 68 CB ASP A 6 20.274 5.065 51.423 1.00 1.00 C ATOM 69 CG ASP A 6 20.668 3.694 50.884 1.00 1.00 C ATOM 70 OD1 ASP A 6 21.372 2.985 51.582 1.00 1.00 O ATOM 71 OD2 ASP A 6 20.260 3.375 49.778 1.00 1.00 O ATOM 0 H ASP A 6 20.971 7.674 52.465 1.00 1.00 H new ATOM 0 HA ASP A 6 22.334 5.521 50.991 1.00 1.00 H new ATOM 0 HB2 ASP A 6 20.050 4.996 52.488 1.00 1.00 H new ATOM 0 HB3 ASP A 6 19.367 5.413 50.928 1.00 1.00 H new ATOM 76 N PHE A 7 21.411 6.452 48.798 1.00 1.00 N ATOM 77 CA PHE A 7 21.147 7.202 47.576 1.00 1.00 C ATOM 78 C PHE A 7 19.745 6.900 47.054 1.00 1.00 C ATOM 79 O PHE A 7 18.908 6.356 47.774 1.00 1.00 O ATOM 80 CB PHE A 7 22.180 6.840 46.507 1.00 1.00 C ATOM 81 CG PHE A 7 23.437 6.335 47.173 1.00 1.00 C ATOM 82 CD1 PHE A 7 23.518 5.003 47.598 1.00 1.00 C ATOM 83 CD2 PHE A 7 24.521 7.199 47.367 1.00 1.00 C ATOM 84 CE1 PHE A 7 24.685 4.535 48.215 1.00 1.00 C ATOM 85 CE2 PHE A 7 25.688 6.731 47.986 1.00 1.00 C ATOM 86 CZ PHE A 7 25.769 5.399 48.409 1.00 1.00 C ATOM 0 H PHE A 7 21.858 5.546 48.653 1.00 1.00 H new ATOM 0 HA PHE A 7 21.217 8.266 47.803 1.00 1.00 H new ATOM 0 HB2 PHE A 7 21.777 6.077 45.840 1.00 1.00 H new ATOM 0 HB3 PHE A 7 22.406 7.712 45.894 1.00 1.00 H new ATOM 0 HD1 PHE A 7 22.681 4.337 47.450 1.00 1.00 H new ATOM 0 HD2 PHE A 7 24.458 8.226 47.040 1.00 1.00 H new ATOM 0 HE1 PHE A 7 24.748 3.507 48.541 1.00 1.00 H new ATOM 0 HE2 PHE A 7 26.524 7.398 48.137 1.00 1.00 H new ATOM 0 HZ PHE A 7 26.668 5.038 48.885 1.00 1.00 H new ATOM 96 N ASP A 8 19.498 7.259 45.799 1.00 1.00 N ATOM 97 CA ASP A 8 18.192 7.023 45.191 1.00 1.00 C ATOM 98 C ASP A 8 18.342 6.727 43.701 1.00 1.00 C ATOM 99 O ASP A 8 17.636 7.300 42.872 1.00 1.00 O ATOM 100 CB ASP A 8 17.297 8.248 45.382 1.00 1.00 C ATOM 101 CG ASP A 8 15.928 7.996 44.762 1.00 1.00 C ATOM 102 OD1 ASP A 8 15.398 6.916 44.963 1.00 1.00 O ATOM 103 OD2 ASP A 8 15.429 8.888 44.094 1.00 1.00 O ATOM 0 H ASP A 8 20.178 7.711 45.187 1.00 1.00 H new ATOM 0 HA ASP A 8 17.735 6.161 45.678 1.00 1.00 H new ATOM 0 HB2 ASP A 8 17.189 8.468 46.444 1.00 1.00 H new ATOM 0 HB3 ASP A 8 17.759 9.121 44.921 1.00 1.00 H new ATOM 108 N ASN A 9 19.266 5.830 43.371 1.00 1.00 N ATOM 109 CA ASN A 9 19.499 5.467 41.978 1.00 1.00 C ATOM 110 C ASN A 9 20.119 4.076 41.885 1.00 1.00 C ATOM 111 O ASN A 9 21.030 3.844 41.091 1.00 1.00 O ATOM 112 CB ASN A 9 20.429 6.488 41.321 1.00 1.00 C ATOM 113 CG ASN A 9 20.608 6.156 39.843 1.00 1.00 C ATOM 114 OD1 ASN A 9 19.649 6.215 39.074 1.00 1.00 O ATOM 115 ND2 ASN A 9 21.785 5.811 39.399 1.00 1.00 N ATOM 0 H ASN A 9 19.861 5.345 44.043 1.00 1.00 H new ATOM 0 HA ASN A 9 18.541 5.462 41.457 1.00 1.00 H new ATOM 0 HB2 ASN A 9 20.016 7.491 41.429 1.00 1.00 H new ATOM 0 HB3 ASN A 9 21.397 6.486 41.822 1.00 1.00 H new ATOM 0 HD21 ASN A 9 21.913 5.589 38.412 1.00 1.00 H new ATOM 0 HD22 ASN A 9 22.578 5.763 40.039 1.00 1.00 H new ATOM 122 N TYR A 10 19.618 3.155 42.701 1.00 1.00 N ATOM 123 CA TYR A 10 20.130 1.789 42.702 1.00 1.00 C ATOM 124 C TYR A 10 20.080 1.198 41.297 1.00 1.00 C ATOM 125 O TYR A 10 19.037 0.719 40.851 1.00 1.00 O ATOM 126 CB TYR A 10 19.305 0.922 43.653 1.00 1.00 C ATOM 127 CG TYR A 10 20.132 -0.256 44.108 1.00 1.00 C ATOM 128 CD1 TYR A 10 20.156 -1.431 43.348 1.00 1.00 C ATOM 129 CD2 TYR A 10 20.877 -0.172 45.291 1.00 1.00 C ATOM 130 CE1 TYR A 10 20.923 -2.523 43.770 1.00 1.00 C ATOM 131 CE2 TYR A 10 21.645 -1.264 45.712 1.00 1.00 C ATOM 132 CZ TYR A 10 21.668 -2.440 44.953 1.00 1.00 C ATOM 133 OH TYR A 10 22.425 -3.516 45.368 1.00 1.00 O ATOM 0 H TYR A 10 18.864 3.327 43.366 1.00 1.00 H new ATOM 0 HA TYR A 10 21.167 1.810 43.039 1.00 1.00 H new ATOM 0 HB2 TYR A 10 18.986 1.510 44.514 1.00 1.00 H new ATOM 0 HB3 TYR A 10 18.401 0.574 43.153 1.00 1.00 H new ATOM 0 HD1 TYR A 10 19.582 -1.495 42.435 1.00 1.00 H new ATOM 0 HD2 TYR A 10 20.859 0.734 45.878 1.00 1.00 H new ATOM 0 HE1 TYR A 10 20.940 -3.430 43.183 1.00 1.00 H new ATOM 0 HE2 TYR A 10 22.221 -1.199 46.624 1.00 1.00 H new ATOM 0 HH TYR A 10 22.880 -3.292 46.206 1.00 1.00 H new ATOM 143 N TYR A 11 21.214 1.233 40.603 1.00 1.00 N ATOM 144 CA TYR A 11 21.286 0.698 39.249 1.00 1.00 C ATOM 145 C TYR A 11 20.622 -0.673 39.179 1.00 1.00 C ATOM 146 O TYR A 11 20.510 -1.372 40.186 1.00 1.00 O ATOM 147 CB TYR A 11 22.748 0.582 38.811 1.00 1.00 C ATOM 148 CG TYR A 11 23.473 -0.379 39.723 1.00 1.00 C ATOM 149 CD1 TYR A 11 23.354 -1.759 39.523 1.00 1.00 C ATOM 150 CD2 TYR A 11 24.264 0.111 40.769 1.00 1.00 C ATOM 151 CE1 TYR A 11 24.026 -2.650 40.367 1.00 1.00 C ATOM 152 CE2 TYR A 11 24.936 -0.780 41.615 1.00 1.00 C ATOM 153 CZ TYR A 11 24.817 -2.160 41.414 1.00 1.00 C ATOM 154 OH TYR A 11 25.480 -3.038 42.246 1.00 1.00 O ATOM 0 H TYR A 11 22.089 1.623 40.953 1.00 1.00 H new ATOM 0 HA TYR A 11 20.759 1.379 38.580 1.00 1.00 H new ATOM 0 HB2 TYR A 11 22.803 0.233 37.780 1.00 1.00 H new ATOM 0 HB3 TYR A 11 23.227 1.561 38.842 1.00 1.00 H new ATOM 0 HD1 TYR A 11 22.743 -2.137 38.716 1.00 1.00 H new ATOM 0 HD2 TYR A 11 24.356 1.176 40.923 1.00 1.00 H new ATOM 0 HE1 TYR A 11 23.935 -3.715 40.211 1.00 1.00 H new ATOM 0 HE2 TYR A 11 25.546 -0.402 42.422 1.00 1.00 H new ATOM 0 HH TYR A 11 25.984 -2.534 42.918 1.00 1.00 H new ATOM 164 N GLY A 12 20.183 -1.053 37.983 1.00 1.00 N ATOM 165 CA GLY A 12 19.532 -2.343 37.793 1.00 1.00 C ATOM 166 C GLY A 12 19.013 -2.487 36.366 1.00 1.00 C ATOM 167 O GLY A 12 17.808 -2.590 36.141 1.00 1.00 O ATOM 0 H GLY A 12 20.266 -0.490 37.137 1.00 1.00 H new ATOM 0 HA2 GLY A 12 20.237 -3.146 38.010 1.00 1.00 H new ATOM 0 HA3 GLY A 12 18.706 -2.445 38.497 1.00 1.00 H new ATOM 171 N ALA A 13 19.932 -2.493 35.407 1.00 1.00 N ATOM 172 CA ALA A 13 19.556 -2.625 34.004 1.00 1.00 C ATOM 173 C ALA A 13 20.604 -3.429 33.241 1.00 1.00 C ATOM 174 O ALA A 13 21.145 -2.968 32.236 1.00 1.00 O ATOM 175 CB ALA A 13 19.413 -1.240 33.368 1.00 1.00 C ATOM 0 H ALA A 13 20.935 -2.409 35.573 1.00 1.00 H new ATOM 0 HA ALA A 13 18.602 -3.150 33.952 1.00 1.00 H new ATOM 0 HB1 ALA A 13 19.132 -1.348 32.320 1.00 1.00 H new ATOM 0 HB2 ALA A 13 18.643 -0.676 33.894 1.00 1.00 H new ATOM 0 HB3 ALA A 13 20.362 -0.709 33.436 1.00 1.00 H new ATOM 181 N ASP A 14 20.884 -4.635 33.726 1.00 1.00 N ATOM 182 CA ASP A 14 21.870 -5.495 33.082 1.00 1.00 C ATOM 183 C ASP A 14 21.222 -6.310 31.966 1.00 1.00 C ATOM 184 O ASP A 14 21.273 -7.540 31.973 1.00 1.00 O ATOM 185 CB ASP A 14 22.490 -6.441 34.112 1.00 1.00 C ATOM 186 CG ASP A 14 21.398 -7.055 34.981 1.00 1.00 C ATOM 187 OD1 ASP A 14 20.308 -7.257 34.472 1.00 1.00 O ATOM 188 OD2 ASP A 14 21.668 -7.315 36.142 1.00 1.00 O ATOM 0 H ASP A 14 20.446 -5.036 34.555 1.00 1.00 H new ATOM 0 HA ASP A 14 22.649 -4.865 32.652 1.00 1.00 H new ATOM 0 HB2 ASP A 14 23.048 -7.228 33.605 1.00 1.00 H new ATOM 0 HB3 ASP A 14 23.200 -5.898 34.736 1.00 1.00 H new ATOM 193 N ASN A 15 20.614 -5.615 31.010 1.00 1.00 N ATOM 194 CA ASN A 15 19.960 -6.285 29.891 1.00 1.00 C ATOM 195 C ASN A 15 19.981 -5.399 28.650 1.00 1.00 C ATOM 196 O ASN A 15 18.974 -5.265 27.954 1.00 1.00 O ATOM 197 CB ASN A 15 18.512 -6.619 30.258 1.00 1.00 C ATOM 198 CG ASN A 15 18.048 -7.846 29.481 1.00 1.00 C ATOM 199 OD1 ASN A 15 17.552 -8.806 30.071 1.00 1.00 O ATOM 200 ND2 ASN A 15 18.180 -7.873 28.182 1.00 1.00 N ATOM 0 H ASN A 15 20.560 -4.597 30.987 1.00 1.00 H new ATOM 0 HA ASN A 15 20.502 -7.206 29.675 1.00 1.00 H new ATOM 0 HB2 ASN A 15 18.433 -6.805 31.329 1.00 1.00 H new ATOM 0 HB3 ASN A 15 17.866 -5.770 30.034 1.00 1.00 H new ATOM 0 HD21 ASN A 15 17.872 -8.690 27.655 1.00 1.00 H new ATOM 0 HD22 ASN A 15 18.591 -7.077 27.694 1.00 1.00 H new ATOM 207 N GLN A 16 21.134 -4.797 28.378 1.00 1.00 N ATOM 208 CA GLN A 16 21.275 -3.926 27.217 1.00 1.00 C ATOM 209 C GLN A 16 21.630 -4.739 25.977 1.00 1.00 C ATOM 210 O GLN A 16 22.707 -4.577 25.405 1.00 1.00 O ATOM 211 CB GLN A 16 22.364 -2.883 27.476 1.00 1.00 C ATOM 212 CG GLN A 16 23.650 -3.586 27.917 1.00 1.00 C ATOM 213 CD GLN A 16 24.013 -3.162 29.336 1.00 1.00 C ATOM 214 OE1 GLN A 16 25.177 -2.877 29.621 1.00 1.00 O ATOM 215 NE2 GLN A 16 23.083 -3.104 30.249 1.00 1.00 N ATOM 0 H GLN A 16 21.979 -4.895 28.941 1.00 1.00 H new ATOM 0 HA GLN A 16 20.324 -3.422 27.046 1.00 1.00 H new ATOM 0 HB2 GLN A 16 22.547 -2.301 26.573 1.00 1.00 H new ATOM 0 HB3 GLN A 16 22.037 -2.184 28.246 1.00 1.00 H new ATOM 0 HG2 GLN A 16 23.517 -4.667 27.874 1.00 1.00 H new ATOM 0 HG3 GLN A 16 24.463 -3.338 27.235 1.00 1.00 H new ATOM 0 HE21 GLN A 16 22.120 -3.340 30.011 1.00 1.00 H new ATOM 0 HE22 GLN A 16 23.319 -2.822 31.200 1.00 1.00 H new ATOM 224 N SER A 17 20.717 -5.615 25.568 1.00 1.00 N ATOM 225 CA SER A 17 20.946 -6.449 24.394 1.00 1.00 C ATOM 226 C SER A 17 21.411 -5.599 23.216 1.00 1.00 C ATOM 227 O SER A 17 20.795 -4.586 22.887 1.00 1.00 O ATOM 228 CB SER A 17 19.660 -7.184 24.018 1.00 1.00 C ATOM 229 OG SER A 17 19.048 -6.527 22.916 1.00 1.00 O ATOM 0 H SER A 17 19.819 -5.765 26.028 1.00 1.00 H new ATOM 0 HA SER A 17 21.723 -7.175 24.633 1.00 1.00 H new ATOM 0 HB2 SER A 17 19.881 -8.220 23.761 1.00 1.00 H new ATOM 0 HB3 SER A 17 18.978 -7.205 24.868 1.00 1.00 H new ATOM 0 HG SER A 17 18.224 -6.997 22.672 1.00 1.00 H new ATOM 235 N GLU A 18 22.503 -6.020 22.585 1.00 1.00 N ATOM 236 CA GLU A 18 23.042 -5.289 21.444 1.00 1.00 C ATOM 237 C GLU A 18 23.962 -6.185 20.621 1.00 1.00 C ATOM 238 O GLU A 18 25.033 -6.581 21.080 1.00 1.00 O ATOM 239 CB GLU A 18 23.821 -4.064 21.928 1.00 1.00 C ATOM 240 CG GLU A 18 23.089 -2.791 21.497 1.00 1.00 C ATOM 241 CD GLU A 18 23.790 -1.566 22.076 1.00 1.00 C ATOM 242 OE1 GLU A 18 25.010 -1.548 22.070 1.00 1.00 O ATOM 243 OE2 GLU A 18 23.096 -0.663 22.515 1.00 1.00 O ATOM 0 H GLU A 18 23.028 -6.856 22.842 1.00 1.00 H new ATOM 0 HA GLU A 18 22.210 -4.966 20.818 1.00 1.00 H new ATOM 0 HB2 GLU A 18 23.921 -4.089 23.013 1.00 1.00 H new ATOM 0 HB3 GLU A 18 24.829 -4.074 21.514 1.00 1.00 H new ATOM 0 HG2 GLU A 18 23.064 -2.726 20.409 1.00 1.00 H new ATOM 0 HG3 GLU A 18 22.054 -2.823 21.838 1.00 1.00 H new ATOM 250 N CYS A 19 23.538 -6.499 19.401 1.00 1.00 N ATOM 251 CA CYS A 19 24.332 -7.349 18.522 1.00 1.00 C ATOM 252 C CYS A 19 24.135 -6.944 17.065 1.00 1.00 C ATOM 253 O CYS A 19 23.086 -6.418 16.692 1.00 1.00 O ATOM 254 CB CYS A 19 23.927 -8.812 18.705 1.00 1.00 C ATOM 255 SG CYS A 19 22.138 -8.918 18.962 1.00 1.00 S ATOM 0 H CYS A 19 22.656 -6.180 19.001 1.00 1.00 H new ATOM 0 HA CYS A 19 25.383 -7.228 18.783 1.00 1.00 H new ATOM 0 HB2 CYS A 19 24.214 -9.392 17.828 1.00 1.00 H new ATOM 0 HB3 CYS A 19 24.453 -9.242 19.557 1.00 1.00 H new ATOM 0 HG CYS A 19 21.795 -10.162 19.115 1.00 1.00 H new ATOM 261 N GLU A 20 25.152 -7.192 16.245 1.00 1.00 N ATOM 262 CA GLU A 20 25.079 -6.848 14.830 1.00 1.00 C ATOM 263 C GLU A 20 25.126 -5.335 14.642 1.00 1.00 C ATOM 264 O GLU A 20 26.063 -4.802 14.046 1.00 1.00 O ATOM 265 CB GLU A 20 23.787 -7.399 14.222 1.00 1.00 C ATOM 266 CG GLU A 20 24.041 -7.813 12.772 1.00 1.00 C ATOM 267 CD GLU A 20 24.574 -6.626 11.976 1.00 1.00 C ATOM 268 OE1 GLU A 20 25.730 -6.285 12.162 1.00 1.00 O ATOM 269 OE2 GLU A 20 23.817 -6.076 11.192 1.00 1.00 O ATOM 0 H GLU A 20 26.029 -7.626 16.533 1.00 1.00 H new ATOM 0 HA GLU A 20 25.936 -7.293 14.325 1.00 1.00 H new ATOM 0 HB2 GLU A 20 23.437 -8.255 14.800 1.00 1.00 H new ATOM 0 HB3 GLU A 20 23.002 -6.644 14.263 1.00 1.00 H new ATOM 0 HG2 GLU A 20 24.757 -8.634 12.740 1.00 1.00 H new ATOM 0 HG3 GLU A 20 23.118 -8.178 12.322 1.00 1.00 H new ATOM 276 N TYR A 21 24.112 -4.648 15.157 1.00 1.00 N ATOM 277 CA TYR A 21 24.048 -3.195 15.041 1.00 1.00 C ATOM 278 C TYR A 21 25.123 -2.542 15.904 1.00 1.00 C ATOM 279 O TYR A 21 25.244 -1.317 15.941 1.00 1.00 O ATOM 280 CB TYR A 21 22.669 -2.697 15.476 1.00 1.00 C ATOM 281 CG TYR A 21 22.359 -1.397 14.774 1.00 1.00 C ATOM 282 CD1 TYR A 21 22.035 -1.397 13.412 1.00 1.00 C ATOM 283 CD2 TYR A 21 22.395 -0.192 15.484 1.00 1.00 C ATOM 284 CE1 TYR A 21 21.746 -0.193 12.760 1.00 1.00 C ATOM 285 CE2 TYR A 21 22.107 1.014 14.832 1.00 1.00 C ATOM 286 CZ TYR A 21 21.782 1.014 13.470 1.00 1.00 C ATOM 287 OH TYR A 21 21.499 2.201 12.828 1.00 1.00 O ATOM 0 H TYR A 21 23.328 -5.070 15.655 1.00 1.00 H new ATOM 0 HA TYR A 21 24.220 -2.924 13.999 1.00 1.00 H new ATOM 0 HB2 TYR A 21 21.910 -3.442 15.237 1.00 1.00 H new ATOM 0 HB3 TYR A 21 22.646 -2.554 16.556 1.00 1.00 H new ATOM 0 HD1 TYR A 21 22.008 -2.327 12.864 1.00 1.00 H new ATOM 0 HD2 TYR A 21 22.645 -0.192 16.535 1.00 1.00 H new ATOM 0 HE1 TYR A 21 21.495 -0.194 11.710 1.00 1.00 H new ATOM 0 HE2 TYR A 21 22.136 1.944 15.380 1.00 1.00 H new ATOM 0 HH TYR A 21 21.568 2.942 13.465 1.00 1.00 H new ATOM 297 N THR A 22 25.903 -3.368 16.596 1.00 1.00 N ATOM 298 CA THR A 22 26.966 -2.859 17.455 1.00 1.00 C ATOM 299 C THR A 22 28.176 -3.786 17.416 1.00 1.00 C ATOM 300 O THR A 22 29.045 -3.727 18.286 1.00 1.00 O ATOM 301 CB THR A 22 26.460 -2.737 18.895 1.00 1.00 C ATOM 302 OG1 THR A 22 25.041 -2.671 18.892 1.00 1.00 O ATOM 303 CG2 THR A 22 27.030 -1.470 19.532 1.00 1.00 C ATOM 0 H THR A 22 25.820 -4.384 16.579 1.00 1.00 H new ATOM 0 HA THR A 22 27.264 -1.876 17.090 1.00 1.00 H new ATOM 0 HB THR A 22 26.783 -3.606 19.469 1.00 1.00 H new ATOM 0 HG1 THR A 22 24.752 -1.828 19.299 1.00 1.00 H new ATOM 0 HG21 THR A 22 26.669 -1.384 20.557 1.00 1.00 H new ATOM 0 HG22 THR A 22 28.119 -1.522 19.534 1.00 1.00 H new ATOM 0 HG23 THR A 22 26.709 -0.599 18.960 1.00 1.00 H new ATOM 311 N ASP A 23 28.226 -4.642 16.400 1.00 1.00 N ATOM 312 CA ASP A 23 29.336 -5.578 16.257 1.00 1.00 C ATOM 313 C ASP A 23 29.773 -5.670 14.798 1.00 1.00 C ATOM 314 O ASP A 23 30.638 -6.472 14.449 1.00 1.00 O ATOM 315 CB ASP A 23 28.917 -6.964 16.754 1.00 1.00 C ATOM 316 CG ASP A 23 30.133 -7.878 16.839 1.00 1.00 C ATOM 317 OD1 ASP A 23 30.851 -7.785 17.822 1.00 1.00 O ATOM 318 OD2 ASP A 23 30.328 -8.660 15.923 1.00 1.00 O ATOM 0 H ASP A 23 27.517 -4.707 15.669 1.00 1.00 H new ATOM 0 HA ASP A 23 30.173 -5.215 16.854 1.00 1.00 H new ATOM 0 HB2 ASP A 23 28.445 -6.881 17.733 1.00 1.00 H new ATOM 0 HB3 ASP A 23 28.176 -7.393 16.079 1.00 1.00 H new ATOM 323 N TRP A 24 29.170 -4.841 13.952 1.00 1.00 N ATOM 324 CA TRP A 24 29.505 -4.836 12.533 1.00 1.00 C ATOM 325 C TRP A 24 30.980 -4.481 12.331 1.00 1.00 C ATOM 326 O TRP A 24 31.755 -4.494 13.285 1.00 1.00 O ATOM 327 CB TRP A 24 28.606 -3.838 11.790 1.00 1.00 C ATOM 328 CG TRP A 24 28.373 -2.622 12.634 1.00 1.00 C ATOM 329 CD1 TRP A 24 29.192 -2.174 13.612 1.00 1.00 C ATOM 330 CD2 TRP A 24 27.254 -1.689 12.578 1.00 1.00 C ATOM 331 NE1 TRP A 24 28.648 -1.027 14.162 1.00 1.00 N ATOM 332 CE2 TRP A 24 27.453 -0.688 13.557 1.00 1.00 C ATOM 333 CE3 TRP A 24 26.097 -1.617 11.781 1.00 1.00 C ATOM 334 CZ2 TRP A 24 26.537 0.349 13.740 1.00 1.00 C ATOM 335 CZ3 TRP A 24 25.173 -0.575 11.961 1.00 1.00 C ATOM 336 CH2 TRP A 24 25.393 0.406 12.939 1.00 1.00 C ATOM 0 H TRP A 24 28.452 -4.169 14.222 1.00 1.00 H new ATOM 0 HA TRP A 24 29.337 -5.834 12.127 1.00 1.00 H new ATOM 0 HB2 TRP A 24 29.071 -3.551 10.847 1.00 1.00 H new ATOM 0 HB3 TRP A 24 27.653 -4.308 11.546 1.00 1.00 H new ATOM 0 HD1 TRP A 24 30.120 -2.636 13.915 1.00 1.00 H new ATOM 0 HE1 TRP A 24 29.076 -0.497 14.921 1.00 1.00 H new ATOM 0 HE3 TRP A 24 25.918 -2.368 11.026 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 26.711 1.102 14.495 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 24.288 -0.529 11.343 1.00 1.00 H new ATOM 0 HH2 TRP A 24 24.679 1.205 13.073 1.00 1.00 H new ATOM 347 N LYS A 25 31.348 -4.175 11.084 1.00 1.00 N ATOM 348 CA LYS A 25 32.725 -3.818 10.737 1.00 1.00 C ATOM 349 C LYS A 25 33.439 -3.131 11.896 1.00 1.00 C ATOM 350 O LYS A 25 33.456 -1.904 11.991 1.00 1.00 O ATOM 351 CB LYS A 25 32.724 -2.887 9.523 1.00 1.00 C ATOM 352 CG LYS A 25 31.763 -1.721 9.775 1.00 1.00 C ATOM 353 CD LYS A 25 30.551 -1.841 8.850 1.00 1.00 C ATOM 354 CE LYS A 25 29.475 -0.844 9.287 1.00 1.00 C ATOM 355 NZ LYS A 25 28.383 -0.816 8.273 1.00 1.00 N ATOM 0 H LYS A 25 30.705 -4.168 10.292 1.00 1.00 H new ATOM 0 HA LYS A 25 33.260 -4.740 10.507 1.00 1.00 H new ATOM 0 HB2 LYS A 25 33.730 -2.510 9.340 1.00 1.00 H new ATOM 0 HB3 LYS A 25 32.421 -3.435 8.631 1.00 1.00 H new ATOM 0 HG2 LYS A 25 31.439 -1.723 10.816 1.00 1.00 H new ATOM 0 HG3 LYS A 25 32.273 -0.773 9.601 1.00 1.00 H new ATOM 0 HD2 LYS A 25 30.846 -1.645 7.819 1.00 1.00 H new ATOM 0 HD3 LYS A 25 30.155 -2.856 8.881 1.00 1.00 H new ATOM 0 HE2 LYS A 25 29.075 -1.128 10.260 1.00 1.00 H new ATOM 0 HE3 LYS A 25 29.908 0.150 9.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 27.651 -0.139 8.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 28.771 -0.526 7.353 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 27.963 -1.764 8.188 1.00 1.00 H new ATOM 369 N SER A 26 34.027 -3.939 12.772 1.00 1.00 N ATOM 370 CA SER A 26 34.746 -3.415 13.930 1.00 1.00 C ATOM 371 C SER A 26 36.169 -3.962 13.970 1.00 1.00 C ATOM 372 O SER A 26 37.052 -3.377 14.597 1.00 1.00 O ATOM 373 CB SER A 26 34.015 -3.802 15.216 1.00 1.00 C ATOM 374 OG SER A 26 34.934 -3.788 16.301 1.00 1.00 O ATOM 0 H SER A 26 34.021 -4.957 12.703 1.00 1.00 H new ATOM 0 HA SER A 26 34.788 -2.329 13.847 1.00 1.00 H new ATOM 0 HB2 SER A 26 33.198 -3.106 15.407 1.00 1.00 H new ATOM 0 HB3 SER A 26 33.572 -4.793 15.112 1.00 1.00 H new ATOM 0 HG SER A 26 34.468 -4.034 17.127 1.00 1.00 H new ATOM 380 N SER A 27 36.386 -5.089 13.297 1.00 1.00 N ATOM 381 CA SER A 27 37.707 -5.706 13.266 1.00 1.00 C ATOM 382 C SER A 27 38.149 -6.094 14.672 1.00 1.00 C ATOM 383 O SER A 27 39.341 -6.120 14.974 1.00 1.00 O ATOM 384 CB SER A 27 38.721 -4.736 12.658 1.00 1.00 C ATOM 385 OG SER A 27 38.147 -4.108 11.519 1.00 1.00 O ATOM 0 H SER A 27 35.670 -5.589 12.770 1.00 1.00 H new ATOM 0 HA SER A 27 37.654 -6.606 12.654 1.00 1.00 H new ATOM 0 HB2 SER A 27 39.010 -3.986 13.394 1.00 1.00 H new ATOM 0 HB3 SER A 27 39.628 -5.270 12.374 1.00 1.00 H new ATOM 0 HG SER A 27 38.794 -3.484 11.128 1.00 1.00 H new ATOM 391 N GLY A 28 37.177 -6.394 15.529 1.00 1.00 N ATOM 392 CA GLY A 28 37.477 -6.779 16.903 1.00 1.00 C ATOM 393 C GLY A 28 37.781 -5.552 17.757 1.00 1.00 C ATOM 394 O GLY A 28 38.082 -5.671 18.944 1.00 1.00 O ATOM 0 H GLY A 28 36.184 -6.378 15.298 1.00 1.00 H new ATOM 0 HA2 GLY A 28 36.631 -7.321 17.326 1.00 1.00 H new ATOM 0 HA3 GLY A 28 38.330 -7.457 16.917 1.00 1.00 H new ATOM 398 N ALA A 29 37.699 -4.377 17.142 1.00 1.00 N ATOM 399 CA ALA A 29 37.968 -3.133 17.854 1.00 1.00 C ATOM 400 C ALA A 29 39.300 -3.215 18.594 1.00 1.00 C ATOM 401 O ALA A 29 39.395 -3.832 19.655 1.00 1.00 O ATOM 402 CB ALA A 29 36.846 -2.848 18.853 1.00 1.00 C ATOM 0 H ALA A 29 37.450 -4.260 16.160 1.00 1.00 H new ATOM 0 HA ALA A 29 38.019 -2.325 17.125 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.056 -1.917 19.380 1.00 1.00 H new ATOM 0 HB2 ALA A 29 35.899 -2.758 18.321 1.00 1.00 H new ATOM 0 HB3 ALA A 29 36.782 -3.665 19.572 1.00 1.00 H new ATOM 408 N LEU A 30 40.324 -2.589 18.027 1.00 1.00 N ATOM 409 CA LEU A 30 41.646 -2.597 18.641 1.00 1.00 C ATOM 410 C LEU A 30 41.883 -1.306 19.419 1.00 1.00 C ATOM 411 O LEU A 30 41.980 -1.319 20.646 1.00 1.00 O ATOM 412 CB LEU A 30 42.720 -2.750 17.563 1.00 1.00 C ATOM 413 CG LEU A 30 42.549 -4.099 16.861 1.00 1.00 C ATOM 414 CD1 LEU A 30 42.264 -3.870 15.375 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.835 -4.916 17.012 1.00 1.00 C ATOM 0 H LEU A 30 40.266 -2.073 17.149 1.00 1.00 H new ATOM 0 HA LEU A 30 41.701 -3.439 19.331 1.00 1.00 H new ATOM 0 HB2 LEU A 30 42.642 -1.939 16.839 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.712 -2.684 18.010 1.00 1.00 H new ATOM 0 HG LEU A 30 41.717 -4.640 17.311 1.00 1.00 H new ATOM 0 HD11 LEU A 30 42.142 -4.831 14.876 1.00 1.00 H new ATOM 0 HD12 LEU A 30 41.350 -3.286 15.266 1.00 1.00 H new ATOM 0 HD13 LEU A 30 43.096 -3.330 14.924 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.716 -5.878 16.513 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.666 -4.373 16.561 1.00 1.00 H new ATOM 0 HD23 LEU A 30 44.040 -5.079 18.070 1.00 1.00 H new ATOM 427 N ILE A 31 41.974 -0.195 18.697 1.00 1.00 N ATOM 428 CA ILE A 31 42.197 1.100 19.328 1.00 1.00 C ATOM 429 C ILE A 31 40.880 1.687 19.846 1.00 1.00 C ATOM 430 O ILE A 31 40.843 2.267 20.931 1.00 1.00 O ATOM 431 CB ILE A 31 42.878 2.056 18.327 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.356 2.232 18.713 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.185 3.430 18.294 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.487 3.082 19.984 1.00 1.00 C ATOM 0 H ILE A 31 41.897 -0.165 17.680 1.00 1.00 H new ATOM 0 HA ILE A 31 42.856 0.968 20.186 1.00 1.00 H new ATOM 0 HB ILE A 31 42.799 1.617 17.332 1.00 1.00 H new ATOM 0 HG12 ILE A 31 44.814 1.256 18.873 1.00 1.00 H new ATOM 0 HG13 ILE A 31 44.897 2.707 17.894 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.692 4.076 17.578 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.144 3.305 17.996 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.227 3.883 19.285 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.541 3.194 20.240 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.049 4.065 19.811 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.965 2.591 20.805 1.00 1.00 H new ATOM 446 N PRO A 32 39.806 1.555 19.103 1.00 1.00 N ATOM 447 CA PRO A 32 38.476 2.094 19.519 1.00 1.00 C ATOM 448 C PRO A 32 38.010 1.507 20.847 1.00 1.00 C ATOM 449 O PRO A 32 37.324 2.171 21.625 1.00 1.00 O ATOM 450 CB PRO A 32 37.530 1.690 18.382 1.00 1.00 C ATOM 451 CG PRO A 32 38.409 1.375 17.218 1.00 1.00 C ATOM 452 CD PRO A 32 39.731 0.884 17.795 1.00 1.00 C ATOM 0 HA PRO A 32 38.511 3.172 19.678 1.00 1.00 H new ATOM 0 HB2 PRO A 32 36.927 0.826 18.662 1.00 1.00 H new ATOM 0 HB3 PRO A 32 36.838 2.497 18.143 1.00 1.00 H new ATOM 0 HG2 PRO A 32 37.955 0.613 16.584 1.00 1.00 H new ATOM 0 HG3 PRO A 32 38.561 2.257 16.596 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.745 -0.201 17.899 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.572 1.154 17.157 1.00 1.00 H new ATOM 460 N ALA A 33 38.385 0.257 21.101 1.00 1.00 N ATOM 461 CA ALA A 33 37.998 -0.410 22.339 1.00 1.00 C ATOM 462 C ALA A 33 38.412 0.421 23.548 1.00 1.00 C ATOM 463 O ALA A 33 37.660 0.544 24.516 1.00 1.00 O ATOM 464 CB ALA A 33 38.655 -1.790 22.416 1.00 1.00 C ATOM 0 H ALA A 33 38.952 -0.311 20.471 1.00 1.00 H new ATOM 0 HA ALA A 33 36.914 -0.523 22.345 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.361 -2.282 23.343 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.334 -2.394 21.567 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.739 -1.679 22.392 1.00 1.00 H new ATOM 470 N ILE A 34 39.611 0.990 23.489 1.00 1.00 N ATOM 471 CA ILE A 34 40.113 1.808 24.588 1.00 1.00 C ATOM 472 C ILE A 34 39.628 3.247 24.448 1.00 1.00 C ATOM 473 O ILE A 34 39.296 3.900 25.438 1.00 1.00 O ATOM 474 CB ILE A 34 41.642 1.783 24.602 1.00 1.00 C ATOM 475 CG1 ILE A 34 42.125 0.364 24.912 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.158 2.743 25.674 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.480 0.128 24.242 1.00 1.00 C ATOM 0 H ILE A 34 40.250 0.901 22.699 1.00 1.00 H new ATOM 0 HA ILE A 34 39.735 1.397 25.524 1.00 1.00 H new ATOM 0 HB ILE A 34 42.020 2.091 23.627 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.211 0.225 25.990 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.398 -0.365 24.554 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.248 2.725 25.684 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.814 3.753 25.454 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.781 2.436 26.649 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.824 -0.882 24.463 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.379 0.249 23.164 1.00 1.00 H new ATOM 0 HD13 ILE A 34 44.204 0.849 24.622 1.00 1.00 H new ATOM 489 N TYR A 35 39.589 3.736 23.213 1.00 1.00 N ATOM 490 CA TYR A 35 39.142 5.099 22.953 1.00 1.00 C ATOM 491 C TYR A 35 37.713 5.298 23.446 1.00 1.00 C ATOM 492 O TYR A 35 37.345 6.385 23.893 1.00 1.00 O ATOM 493 CB TYR A 35 39.213 5.394 21.455 1.00 1.00 C ATOM 494 CG TYR A 35 39.911 6.715 21.233 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.309 6.781 21.258 1.00 1.00 C ATOM 496 CD2 TYR A 35 39.158 7.873 21.001 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.955 8.006 21.052 1.00 1.00 C ATOM 498 CE2 TYR A 35 39.806 9.098 20.795 1.00 1.00 C ATOM 499 CZ TYR A 35 41.204 9.164 20.821 1.00 1.00 C ATOM 500 OH TYR A 35 41.841 10.371 20.618 1.00 1.00 O ATOM 0 H TYR A 35 39.860 3.212 22.381 1.00 1.00 H new ATOM 0 HA TYR A 35 39.797 5.785 23.490 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.750 4.596 20.942 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.209 5.426 21.032 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.889 5.888 21.436 1.00 1.00 H new ATOM 0 HD2 TYR A 35 38.079 7.822 20.981 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.034 8.057 21.071 1.00 1.00 H new ATOM 0 HE2 TYR A 35 39.227 9.992 20.616 1.00 1.00 H new ATOM 0 HH TYR A 35 41.173 11.073 20.471 1.00 1.00 H new ATOM 510 N MET A 36 36.912 4.242 23.359 1.00 1.00 N ATOM 511 CA MET A 36 35.523 4.312 23.796 1.00 1.00 C ATOM 512 C MET A 36 35.427 4.177 25.311 1.00 1.00 C ATOM 513 O MET A 36 34.759 4.972 25.970 1.00 1.00 O ATOM 514 CB MET A 36 34.713 3.197 23.131 1.00 1.00 C ATOM 515 CG MET A 36 34.557 3.500 21.641 1.00 1.00 C ATOM 516 SD MET A 36 32.839 3.950 21.293 1.00 1.00 S ATOM 517 CE MET A 36 33.124 5.708 20.980 1.00 1.00 C ATOM 0 H MET A 36 37.198 3.334 22.993 1.00 1.00 H new ATOM 0 HA MET A 36 35.119 5.282 23.505 1.00 1.00 H new ATOM 0 HB2 MET A 36 35.213 2.238 23.268 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.733 3.115 23.601 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.223 4.314 21.353 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.843 2.630 21.050 1.00 1.00 H new ATOM 0 HE1 MET A 36 32.178 6.193 20.740 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.554 6.171 21.868 1.00 1.00 H new ATOM 0 HE3 MET A 36 33.812 5.822 20.142 1.00 1.00 H new ATOM 527 N LEU A 37 36.095 3.164 25.854 1.00 1.00 N ATOM 528 CA LEU A 37 36.074 2.932 27.294 1.00 1.00 C ATOM 529 C LEU A 37 36.162 4.251 28.056 1.00 1.00 C ATOM 530 O LEU A 37 35.754 4.335 29.215 1.00 1.00 O ATOM 531 CB LEU A 37 37.244 2.031 27.695 1.00 1.00 C ATOM 532 CG LEU A 37 36.707 0.713 28.256 1.00 1.00 C ATOM 533 CD1 LEU A 37 37.873 -0.239 28.526 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.956 0.982 29.563 1.00 1.00 C ATOM 0 H LEU A 37 36.653 2.495 25.323 1.00 1.00 H new ATOM 0 HA LEU A 37 35.133 2.443 27.548 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.880 1.838 26.831 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.862 2.531 28.441 1.00 1.00 H new ATOM 0 HG LEU A 37 36.028 0.261 27.533 1.00 1.00 H new ATOM 0 HD11 LEU A 37 37.491 -1.178 28.926 1.00 1.00 H new ATOM 0 HD12 LEU A 37 38.408 -0.431 27.596 1.00 1.00 H new ATOM 0 HD13 LEU A 37 38.552 0.213 29.249 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.573 0.043 29.963 1.00 1.00 H new ATOM 0 HD22 LEU A 37 36.635 1.434 30.286 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.125 1.660 29.372 1.00 1.00 H new ATOM 546 N VAL A 38 36.692 5.277 27.399 1.00 1.00 N ATOM 547 CA VAL A 38 36.823 6.587 28.028 1.00 1.00 C ATOM 548 C VAL A 38 35.721 7.525 27.546 1.00 1.00 C ATOM 549 O VAL A 38 35.290 8.418 28.276 1.00 1.00 O ATOM 550 CB VAL A 38 38.189 7.191 27.698 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.445 8.402 28.599 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.279 6.142 27.934 1.00 1.00 C ATOM 0 H VAL A 38 37.035 5.229 26.440 1.00 1.00 H new ATOM 0 HA VAL A 38 36.732 6.461 29.107 1.00 1.00 H new ATOM 0 HB VAL A 38 38.204 7.506 26.655 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.419 8.832 28.363 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.669 9.149 28.433 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.430 8.089 29.643 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.253 6.571 27.699 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.262 5.828 28.978 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.098 5.279 27.293 1.00 1.00 H new ATOM 562 N PHE A 39 35.270 7.317 26.314 1.00 1.00 N ATOM 563 CA PHE A 39 34.218 8.153 25.747 1.00 1.00 C ATOM 564 C PHE A 39 32.845 7.688 26.221 1.00 1.00 C ATOM 565 O PHE A 39 31.849 7.844 25.515 1.00 1.00 O ATOM 566 CB PHE A 39 34.277 8.100 24.219 1.00 1.00 C ATOM 567 CG PHE A 39 34.058 9.485 23.659 1.00 1.00 C ATOM 568 CD1 PHE A 39 35.147 10.342 23.466 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.764 9.911 23.333 1.00 1.00 C ATOM 570 CE1 PHE A 39 34.944 11.627 22.945 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.560 11.195 22.814 1.00 1.00 C ATOM 572 CZ PHE A 39 33.651 12.053 22.620 1.00 1.00 C ATOM 0 H PHE A 39 35.613 6.584 25.693 1.00 1.00 H new ATOM 0 HA PHE A 39 34.376 9.178 26.083 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.243 7.714 23.895 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.517 7.418 23.838 1.00 1.00 H new ATOM 0 HD1 PHE A 39 36.144 10.013 23.719 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.924 9.249 23.482 1.00 1.00 H new ATOM 0 HE1 PHE A 39 35.785 12.288 22.794 1.00 1.00 H new ATOM 0 HE2 PHE A 39 31.562 11.524 22.563 1.00 1.00 H new ATOM 0 HZ PHE A 39 33.494 13.044 22.219 1.00 1.00 H new ATOM 582 N LEU A 40 32.799 7.116 27.420 1.00 1.00 N ATOM 583 CA LEU A 40 31.538 6.635 27.976 1.00 1.00 C ATOM 584 C LEU A 40 31.693 6.295 29.455 1.00 1.00 C ATOM 585 O LEU A 40 30.734 5.887 30.109 1.00 1.00 O ATOM 586 CB LEU A 40 31.063 5.398 27.210 1.00 1.00 C ATOM 587 CG LEU A 40 32.132 4.303 27.274 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.709 3.235 28.284 1.00 1.00 C ATOM 589 CD2 LEU A 40 32.285 3.663 25.893 1.00 1.00 C ATOM 0 H LEU A 40 33.611 6.975 28.021 1.00 1.00 H new ATOM 0 HA LEU A 40 30.797 7.428 27.876 1.00 1.00 H new ATOM 0 HB2 LEU A 40 30.129 5.032 27.636 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.859 5.659 26.172 1.00 1.00 H new ATOM 0 HG LEU A 40 33.082 4.739 27.583 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.470 2.456 28.330 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.596 3.690 29.268 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.760 2.798 27.975 1.00 1.00 H new ATOM 0 HD21 LEU A 40 33.045 2.883 25.936 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.334 3.227 25.587 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.585 4.423 25.171 1.00 1.00 H new ATOM 601 N LEU A 41 32.903 6.468 29.978 1.00 1.00 N ATOM 602 CA LEU A 41 33.161 6.176 31.384 1.00 1.00 C ATOM 603 C LEU A 41 32.368 7.127 32.275 1.00 1.00 C ATOM 604 O LEU A 41 32.030 6.793 33.411 1.00 1.00 O ATOM 605 CB LEU A 41 34.664 6.292 31.679 1.00 1.00 C ATOM 606 CG LEU A 41 35.038 7.750 32.006 1.00 1.00 C ATOM 607 CD1 LEU A 41 34.795 8.067 33.491 1.00 1.00 C ATOM 608 CD2 LEU A 41 36.519 7.965 31.688 1.00 1.00 C ATOM 0 H LEU A 41 33.712 6.805 29.456 1.00 1.00 H new ATOM 0 HA LEU A 41 32.841 5.156 31.597 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.927 5.646 32.517 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.237 5.947 30.818 1.00 1.00 H new ATOM 0 HG LEU A 41 34.413 8.411 31.405 1.00 1.00 H new ATOM 0 HD11 LEU A 41 35.068 9.103 33.691 1.00 1.00 H new ATOM 0 HD12 LEU A 41 33.742 7.917 33.727 1.00 1.00 H new ATOM 0 HD13 LEU A 41 35.403 7.406 34.108 1.00 1.00 H new ATOM 0 HD21 LEU A 41 36.794 8.995 31.916 1.00 1.00 H new ATOM 0 HD22 LEU A 41 37.123 7.286 32.290 1.00 1.00 H new ATOM 0 HD23 LEU A 41 36.697 7.768 30.631 1.00 1.00 H new ATOM 620 N GLY A 42 32.074 8.314 31.752 1.00 1.00 N ATOM 621 CA GLY A 42 31.321 9.306 32.510 1.00 1.00 C ATOM 622 C GLY A 42 31.419 10.680 31.857 1.00 1.00 C ATOM 623 O GLY A 42 31.467 11.700 32.545 1.00 1.00 O ATOM 0 H GLY A 42 32.344 8.610 30.814 1.00 1.00 H new ATOM 0 HA2 GLY A 42 30.276 9.003 32.574 1.00 1.00 H new ATOM 0 HA3 GLY A 42 31.702 9.356 33.530 1.00 1.00 H new ATOM 627 N THR A 43 31.446 10.697 30.527 1.00 1.00 N ATOM 628 CA THR A 43 31.538 11.950 29.783 1.00 1.00 C ATOM 629 C THR A 43 30.256 12.202 28.996 1.00 1.00 C ATOM 630 O THR A 43 29.627 13.250 29.133 1.00 1.00 O ATOM 631 CB THR A 43 32.727 11.900 28.821 1.00 1.00 C ATOM 632 OG1 THR A 43 32.302 12.296 27.525 1.00 1.00 O ATOM 633 CG2 THR A 43 33.282 10.476 28.766 1.00 1.00 C ATOM 0 H THR A 43 31.406 9.861 29.944 1.00 1.00 H new ATOM 0 HA THR A 43 31.680 12.763 30.495 1.00 1.00 H new ATOM 0 HB THR A 43 33.506 12.577 29.170 1.00 1.00 H new ATOM 0 HG1 THR A 43 33.063 12.266 26.908 1.00 1.00 H new ATOM 0 HG21 THR A 43 34.129 10.442 28.080 1.00 1.00 H new ATOM 0 HG22 THR A 43 33.608 10.174 29.761 1.00 1.00 H new ATOM 0 HG23 THR A 43 32.505 9.796 28.417 1.00 1.00 H new ATOM 641 N THR A 44 29.875 11.232 28.170 1.00 1.00 N ATOM 642 CA THR A 44 28.667 11.360 27.364 1.00 1.00 C ATOM 643 C THR A 44 27.424 11.167 28.227 1.00 1.00 C ATOM 644 O THR A 44 27.049 12.053 28.996 1.00 1.00 O ATOM 645 CB THR A 44 28.677 10.321 26.240 1.00 1.00 C ATOM 646 OG1 THR A 44 29.783 10.566 25.382 1.00 1.00 O ATOM 647 CG2 THR A 44 27.378 10.419 25.439 1.00 1.00 C ATOM 0 H THR A 44 30.381 10.356 28.042 1.00 1.00 H new ATOM 0 HA THR A 44 28.644 12.361 26.933 1.00 1.00 H new ATOM 0 HB THR A 44 28.762 9.323 26.669 1.00 1.00 H new ATOM 0 HG1 THR A 44 29.792 9.901 24.662 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.387 9.679 24.639 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.530 10.232 26.097 1.00 1.00 H new ATOM 0 HG23 THR A 44 27.290 11.417 25.009 1.00 1.00 H new ATOM 655 N GLY A 45 26.790 10.004 28.092 1.00 1.00 N ATOM 656 CA GLY A 45 25.588 9.699 28.861 1.00 1.00 C ATOM 657 C GLY A 45 25.837 8.543 29.824 1.00 1.00 C ATOM 658 O GLY A 45 26.096 8.754 31.008 1.00 1.00 O ATOM 0 H GLY A 45 27.088 9.261 27.460 1.00 1.00 H new ATOM 0 HA2 GLY A 45 25.275 10.581 29.419 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.773 9.444 28.184 1.00 1.00 H new ATOM 662 N ASN A 46 25.754 7.320 29.308 1.00 1.00 N ATOM 663 CA ASN A 46 25.972 6.137 30.131 1.00 1.00 C ATOM 664 C ASN A 46 24.956 6.083 31.267 1.00 1.00 C ATOM 665 O ASN A 46 24.780 7.052 32.005 1.00 1.00 O ATOM 666 CB ASN A 46 27.389 6.155 30.706 1.00 1.00 C ATOM 667 CG ASN A 46 27.366 6.668 32.142 1.00 1.00 C ATOM 668 OD1 ASN A 46 26.892 5.975 33.043 1.00 1.00 O ATOM 669 ND2 ASN A 46 27.853 7.849 32.410 1.00 1.00 N ATOM 0 H ASN A 46 25.539 7.124 28.330 1.00 1.00 H new ATOM 0 HA ASN A 46 25.848 5.252 29.507 1.00 1.00 H new ATOM 0 HB2 ASN A 46 27.814 5.152 30.677 1.00 1.00 H new ATOM 0 HB3 ASN A 46 28.030 6.791 30.095 1.00 1.00 H new ATOM 0 HD21 ASN A 46 27.842 8.200 33.368 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.245 8.421 31.662 1.00 1.00 H new ATOM 676 N GLY A 47 24.286 4.943 31.399 1.00 1.00 N ATOM 677 CA GLY A 47 23.285 4.775 32.446 1.00 1.00 C ATOM 678 C GLY A 47 22.018 5.554 32.115 1.00 1.00 C ATOM 679 O GLY A 47 20.914 5.149 32.480 1.00 1.00 O ATOM 0 H GLY A 47 24.416 4.128 30.800 1.00 1.00 H new ATOM 0 HA2 GLY A 47 23.047 3.718 32.561 1.00 1.00 H new ATOM 0 HA3 GLY A 47 23.689 5.117 33.399 1.00 1.00 H new ATOM 683 N LEU A 48 22.185 6.674 31.420 1.00 1.00 N ATOM 684 CA LEU A 48 21.048 7.504 31.041 1.00 1.00 C ATOM 685 C LEU A 48 20.653 7.239 29.592 1.00 1.00 C ATOM 686 O LEU A 48 19.475 7.292 29.240 1.00 1.00 O ATOM 687 CB LEU A 48 21.403 8.983 31.214 1.00 1.00 C ATOM 688 CG LEU A 48 20.427 9.633 32.197 1.00 1.00 C ATOM 689 CD1 LEU A 48 20.833 11.089 32.432 1.00 1.00 C ATOM 690 CD2 LEU A 48 19.011 9.587 31.616 1.00 1.00 C ATOM 0 H LEU A 48 23.091 7.026 31.109 1.00 1.00 H new ATOM 0 HA LEU A 48 20.206 7.254 31.687 1.00 1.00 H new ATOM 0 HB2 LEU A 48 22.425 9.082 31.581 1.00 1.00 H new ATOM 0 HB3 LEU A 48 21.359 9.493 30.252 1.00 1.00 H new ATOM 0 HG LEU A 48 20.450 9.092 33.143 1.00 1.00 H new ATOM 0 HD11 LEU A 48 20.138 11.552 33.132 1.00 1.00 H new ATOM 0 HD12 LEU A 48 21.841 11.123 32.845 1.00 1.00 H new ATOM 0 HD13 LEU A 48 20.810 11.630 31.486 1.00 1.00 H new ATOM 0 HD21 LEU A 48 18.315 10.050 32.316 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.988 10.128 30.670 1.00 1.00 H new ATOM 0 HD23 LEU A 48 18.720 8.550 31.448 1.00 1.00 H new ATOM 702 N VAL A 49 21.647 6.954 28.757 1.00 1.00 N ATOM 703 CA VAL A 49 21.391 6.680 27.348 1.00 1.00 C ATOM 704 C VAL A 49 20.559 5.411 27.193 1.00 1.00 C ATOM 705 O VAL A 49 19.538 5.406 26.505 1.00 1.00 O ATOM 706 CB VAL A 49 22.714 6.520 26.597 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.466 5.806 25.268 1.00 1.00 C ATOM 708 CG2 VAL A 49 23.318 7.901 26.329 1.00 1.00 C ATOM 0 H VAL A 49 22.629 6.907 29.029 1.00 1.00 H new ATOM 0 HA VAL A 49 20.836 7.519 26.929 1.00 1.00 H new ATOM 0 HB VAL A 49 23.404 5.931 27.201 1.00 1.00 H new ATOM 0 HG11 VAL A 49 23.410 5.693 24.734 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.036 4.822 25.458 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.775 6.393 24.663 1.00 1.00 H new ATOM 0 HG21 VAL A 49 24.261 7.788 25.794 1.00 1.00 H new ATOM 0 HG22 VAL A 49 22.627 8.490 25.726 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.497 8.410 27.276 1.00 1.00 H new ATOM 718 N LEU A 50 21.001 4.338 27.839 1.00 1.00 N ATOM 719 CA LEU A 50 20.287 3.068 27.767 1.00 1.00 C ATOM 720 C LEU A 50 18.881 3.217 28.338 1.00 1.00 C ATOM 721 O LEU A 50 17.919 2.678 27.793 1.00 1.00 O ATOM 722 CB LEU A 50 21.046 1.993 28.550 1.00 1.00 C ATOM 723 CG LEU A 50 22.540 2.078 28.229 1.00 1.00 C ATOM 724 CD1 LEU A 50 23.283 2.695 29.413 1.00 1.00 C ATOM 725 CD2 LEU A 50 23.083 0.670 27.966 1.00 1.00 C ATOM 0 H LEU A 50 21.843 4.321 28.414 1.00 1.00 H new ATOM 0 HA LEU A 50 20.216 2.770 26.721 1.00 1.00 H new ATOM 0 HB2 LEU A 50 20.886 2.128 29.620 1.00 1.00 H new ATOM 0 HB3 LEU A 50 20.665 1.005 28.293 1.00 1.00 H new ATOM 0 HG LEU A 50 22.687 2.699 27.345 1.00 1.00 H new ATOM 0 HD11 LEU A 50 24.347 2.755 29.184 1.00 1.00 H new ATOM 0 HD12 LEU A 50 22.896 3.696 29.604 1.00 1.00 H new ATOM 0 HD13 LEU A 50 23.137 2.075 30.297 1.00 1.00 H new ATOM 0 HD21 LEU A 50 24.147 0.727 27.737 1.00 1.00 H new ATOM 0 HD22 LEU A 50 22.935 0.052 28.851 1.00 1.00 H new ATOM 0 HD23 LEU A 50 22.554 0.228 27.122 1.00 1.00 H new ATOM 737 N TRP A 51 18.772 3.955 29.439 1.00 1.00 N ATOM 738 CA TRP A 51 17.480 4.172 30.078 1.00 1.00 C ATOM 739 C TRP A 51 16.400 4.422 29.031 1.00 1.00 C ATOM 740 O TRP A 51 15.282 3.919 29.147 1.00 1.00 O ATOM 741 CB TRP A 51 17.566 5.368 31.030 1.00 1.00 C ATOM 742 CG TRP A 51 16.426 6.302 30.774 1.00 1.00 C ATOM 743 CD1 TRP A 51 16.367 7.199 29.764 1.00 1.00 C ATOM 744 CD2 TRP A 51 15.185 6.447 31.524 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.169 7.886 29.846 1.00 1.00 N ATOM 746 CE2 TRP A 51 14.405 7.457 30.914 1.00 1.00 C ATOM 747 CE3 TRP A 51 14.665 5.805 32.663 1.00 1.00 C ATOM 748 CZ2 TRP A 51 13.154 7.819 31.415 1.00 1.00 C ATOM 749 CZ3 TRP A 51 13.407 6.167 33.171 1.00 1.00 C ATOM 750 CH2 TRP A 51 12.653 7.172 32.548 1.00 1.00 C ATOM 0 H TRP A 51 19.558 4.410 29.904 1.00 1.00 H new ATOM 0 HA TRP A 51 17.217 3.278 30.643 1.00 1.00 H new ATOM 0 HB2 TRP A 51 17.541 5.024 32.064 1.00 1.00 H new ATOM 0 HB3 TRP A 51 18.513 5.889 30.890 1.00 1.00 H new ATOM 0 HD1 TRP A 51 17.130 7.354 29.016 1.00 1.00 H new ATOM 0 HE1 TRP A 51 14.885 8.620 29.197 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.237 5.029 33.150 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 12.577 8.593 30.931 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 13.018 5.669 34.047 1.00 1.00 H new ATOM 0 HH2 TRP A 51 11.686 7.446 32.943 1.00 1.00 H new ATOM 761 N THR A 52 16.741 5.201 28.009 1.00 1.00 N ATOM 762 CA THR A 52 15.791 5.510 26.947 1.00 1.00 C ATOM 763 C THR A 52 15.287 4.226 26.296 1.00 1.00 C ATOM 764 O THR A 52 14.082 4.027 26.142 1.00 1.00 O ATOM 765 CB THR A 52 16.457 6.393 25.890 1.00 1.00 C ATOM 766 OG1 THR A 52 16.623 7.705 26.409 1.00 1.00 O ATOM 767 CG2 THR A 52 15.581 6.444 24.638 1.00 1.00 C ATOM 0 H THR A 52 17.661 5.627 27.894 1.00 1.00 H new ATOM 0 HA THR A 52 14.945 6.043 27.382 1.00 1.00 H new ATOM 0 HB THR A 52 17.431 5.978 25.631 1.00 1.00 H new ATOM 0 HG1 THR A 52 16.423 7.705 27.368 1.00 1.00 H new ATOM 0 HG21 THR A 52 16.057 7.073 23.886 1.00 1.00 H new ATOM 0 HG22 THR A 52 15.455 5.437 24.241 1.00 1.00 H new ATOM 0 HG23 THR A 52 14.606 6.858 24.893 1.00 1.00 H new ATOM 775 N VAL A 53 16.218 3.357 25.919 1.00 1.00 N ATOM 776 CA VAL A 53 15.858 2.092 25.288 1.00 1.00 C ATOM 777 C VAL A 53 15.248 1.142 26.312 1.00 1.00 C ATOM 778 O VAL A 53 14.162 0.603 26.103 1.00 1.00 O ATOM 779 CB VAL A 53 17.099 1.448 24.666 1.00 1.00 C ATOM 780 CG1 VAL A 53 16.670 0.420 23.617 1.00 1.00 C ATOM 781 CG2 VAL A 53 17.952 2.528 24.000 1.00 1.00 C ATOM 0 H VAL A 53 17.220 3.503 26.038 1.00 1.00 H new ATOM 0 HA VAL A 53 15.123 2.290 24.508 1.00 1.00 H new ATOM 0 HB VAL A 53 17.680 0.952 25.444 1.00 1.00 H new ATOM 0 HG11 VAL A 53 17.554 -0.039 23.174 1.00 1.00 H new ATOM 0 HG12 VAL A 53 16.060 -0.350 24.090 1.00 1.00 H new ATOM 0 HG13 VAL A 53 16.090 0.915 22.839 1.00 1.00 H new ATOM 0 HG21 VAL A 53 18.837 2.071 23.556 1.00 1.00 H new ATOM 0 HG22 VAL A 53 17.370 3.023 23.222 1.00 1.00 H new ATOM 0 HG23 VAL A 53 18.258 3.261 24.746 1.00 1.00 H new ATOM 791 N PHE A 54 15.954 0.944 27.421 1.00 1.00 N ATOM 792 CA PHE A 54 15.473 0.057 28.473 1.00 1.00 C ATOM 793 C PHE A 54 13.982 0.273 28.717 1.00 1.00 C ATOM 794 O PHE A 54 13.262 -0.656 29.080 1.00 1.00 O ATOM 795 CB PHE A 54 16.244 0.317 29.768 1.00 1.00 C ATOM 796 CG PHE A 54 15.956 -0.789 30.755 1.00 1.00 C ATOM 797 CD1 PHE A 54 14.752 -0.793 31.468 1.00 1.00 C ATOM 798 CD2 PHE A 54 16.892 -1.811 30.954 1.00 1.00 C ATOM 799 CE1 PHE A 54 14.483 -1.820 32.382 1.00 1.00 C ATOM 800 CE2 PHE A 54 16.624 -2.838 31.868 1.00 1.00 C ATOM 801 CZ PHE A 54 15.419 -2.842 32.582 1.00 1.00 C ATOM 0 H PHE A 54 16.855 1.383 27.613 1.00 1.00 H new ATOM 0 HA PHE A 54 15.633 -0.973 28.154 1.00 1.00 H new ATOM 0 HB2 PHE A 54 17.313 0.367 29.563 1.00 1.00 H new ATOM 0 HB3 PHE A 54 15.955 1.280 30.189 1.00 1.00 H new ATOM 0 HD1 PHE A 54 14.030 -0.005 31.314 1.00 1.00 H new ATOM 0 HD2 PHE A 54 17.821 -1.807 30.403 1.00 1.00 H new ATOM 0 HE1 PHE A 54 13.554 -1.823 32.932 1.00 1.00 H new ATOM 0 HE2 PHE A 54 17.346 -3.626 32.022 1.00 1.00 H new ATOM 0 HZ PHE A 54 15.212 -3.634 33.287 1.00 1.00 H new ATOM 811 N ARG A 55 13.528 1.505 28.515 1.00 1.00 N ATOM 812 CA ARG A 55 12.120 1.833 28.716 1.00 1.00 C ATOM 813 C ARG A 55 11.277 1.324 27.551 1.00 1.00 C ATOM 814 O ARG A 55 10.124 0.937 27.730 1.00 1.00 O ATOM 815 CB ARG A 55 11.951 3.348 28.848 1.00 1.00 C ATOM 816 CG ARG A 55 12.557 3.818 30.171 1.00 1.00 C ATOM 817 CD ARG A 55 11.437 4.240 31.125 1.00 1.00 C ATOM 818 NE ARG A 55 10.389 3.225 31.155 1.00 1.00 N ATOM 819 CZ ARG A 55 9.174 3.507 31.613 1.00 1.00 C ATOM 820 NH1 ARG A 55 8.902 4.708 32.045 1.00 1.00 N ATOM 821 NH2 ARG A 55 8.254 2.582 31.631 1.00 1.00 N ATOM 0 H ARG A 55 14.109 2.288 28.215 1.00 1.00 H new ATOM 0 HA ARG A 55 11.781 1.348 29.632 1.00 1.00 H new ATOM 0 HB2 ARG A 55 12.438 3.853 28.014 1.00 1.00 H new ATOM 0 HB3 ARG A 55 10.894 3.611 28.807 1.00 1.00 H new ATOM 0 HG2 ARG A 55 13.147 3.018 30.618 1.00 1.00 H new ATOM 0 HG3 ARG A 55 13.234 4.654 29.996 1.00 1.00 H new ATOM 0 HD2 ARG A 55 11.840 4.387 32.127 1.00 1.00 H new ATOM 0 HD3 ARG A 55 11.019 5.195 30.806 1.00 1.00 H new ATOM 0 HE ARG A 55 10.592 2.284 30.819 1.00 1.00 H new ATOM 0 HH11 ARG A 55 9.622 5.430 32.031 1.00 1.00 H new ATOM 0 HH12 ARG A 55 7.969 4.924 32.397 1.00 1.00 H new ATOM 0 HH21 ARG A 55 8.468 1.643 31.294 1.00 1.00 H new ATOM 0 HH22 ARG A 55 7.321 2.797 31.982 1.00 1.00 H new ATOM 835 N LYS A 56 11.861 1.331 26.357 1.00 1.00 N ATOM 836 CA LYS A 56 11.153 0.870 25.170 1.00 1.00 C ATOM 837 C LYS A 56 10.886 -0.631 25.247 1.00 1.00 C ATOM 838 O LYS A 56 10.148 -1.182 24.429 1.00 1.00 O ATOM 839 CB LYS A 56 11.974 1.184 23.917 1.00 1.00 C ATOM 840 CG LYS A 56 12.056 2.701 23.726 1.00 1.00 C ATOM 841 CD LYS A 56 10.887 3.171 22.858 1.00 1.00 C ATOM 842 CE LYS A 56 10.954 4.690 22.693 1.00 1.00 C ATOM 843 NZ LYS A 56 10.272 5.345 23.846 1.00 1.00 N ATOM 0 H LYS A 56 12.815 1.648 26.187 1.00 1.00 H new ATOM 0 HA LYS A 56 10.197 1.391 25.118 1.00 1.00 H new ATOM 0 HB2 LYS A 56 12.975 0.764 24.011 1.00 1.00 H new ATOM 0 HB3 LYS A 56 11.515 0.721 23.043 1.00 1.00 H new ATOM 0 HG2 LYS A 56 12.028 3.202 24.694 1.00 1.00 H new ATOM 0 HG3 LYS A 56 13.002 2.968 23.256 1.00 1.00 H new ATOM 0 HD2 LYS A 56 10.926 2.686 21.882 1.00 1.00 H new ATOM 0 HD3 LYS A 56 9.941 2.886 23.318 1.00 1.00 H new ATOM 0 HE2 LYS A 56 11.993 5.015 22.638 1.00 1.00 H new ATOM 0 HE3 LYS A 56 10.478 4.987 21.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 10.317 6.378 23.735 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 9.277 5.043 23.878 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 10.745 5.071 24.731 1.00 1.00 H new ATOM 857 N LYS A 57 11.488 -1.287 26.234 1.00 1.00 N ATOM 858 CA LYS A 57 11.302 -2.725 26.405 1.00 1.00 C ATOM 859 C LYS A 57 10.192 -3.001 27.413 1.00 1.00 C ATOM 860 O LYS A 57 10.300 -3.911 28.237 1.00 1.00 O ATOM 861 CB LYS A 57 12.600 -3.382 26.885 1.00 1.00 C ATOM 862 CG LYS A 57 13.807 -2.558 26.427 1.00 1.00 C ATOM 863 CD LYS A 57 13.781 -2.408 24.904 1.00 1.00 C ATOM 864 CE LYS A 57 15.200 -2.557 24.352 1.00 1.00 C ATOM 865 NZ LYS A 57 15.232 -2.106 22.933 1.00 1.00 N ATOM 0 H LYS A 57 12.103 -0.852 26.922 1.00 1.00 H new ATOM 0 HA LYS A 57 11.024 -3.147 25.439 1.00 1.00 H new ATOM 0 HB2 LYS A 57 12.596 -3.462 27.972 1.00 1.00 H new ATOM 0 HB3 LYS A 57 12.671 -4.396 26.491 1.00 1.00 H new ATOM 0 HG2 LYS A 57 13.789 -1.576 26.899 1.00 1.00 H new ATOM 0 HG3 LYS A 57 14.731 -3.045 26.738 1.00 1.00 H new ATOM 0 HD2 LYS A 57 13.128 -3.162 24.465 1.00 1.00 H new ATOM 0 HD3 LYS A 57 13.373 -1.435 24.631 1.00 1.00 H new ATOM 0 HE2 LYS A 57 15.897 -1.967 24.948 1.00 1.00 H new ATOM 0 HE3 LYS A 57 15.521 -3.596 24.422 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 16.219 -1.981 22.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 14.773 -2.820 22.331 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 14.726 -1.202 22.845 1.00 1.00 H new ATOM 879 N GLY A 58 9.126 -2.212 27.344 1.00 1.00 N ATOM 880 CA GLY A 58 8.002 -2.382 28.257 1.00 1.00 C ATOM 881 C GLY A 58 7.219 -3.649 27.928 1.00 1.00 C ATOM 882 O GLY A 58 6.060 -3.585 27.518 1.00 1.00 O ATOM 0 H GLY A 58 9.016 -1.454 26.671 1.00 1.00 H new ATOM 0 HA2 GLY A 58 8.366 -2.431 29.283 1.00 1.00 H new ATOM 0 HA3 GLY A 58 7.343 -1.516 28.194 1.00 1.00 H new ATOM 886 N HIS A 59 7.859 -4.799 28.112 1.00 1.00 N ATOM 887 CA HIS A 59 7.213 -6.075 27.830 1.00 1.00 C ATOM 888 C HIS A 59 7.695 -7.146 28.803 1.00 1.00 C ATOM 889 O HIS A 59 6.918 -7.671 29.599 1.00 1.00 O ATOM 890 CB HIS A 59 7.518 -6.511 26.396 1.00 1.00 C ATOM 891 CG HIS A 59 6.956 -5.500 25.434 1.00 1.00 C ATOM 892 ND1 HIS A 59 5.743 -5.686 24.792 1.00 1.00 N ATOM 893 CD2 HIS A 59 7.431 -4.289 24.995 1.00 1.00 C ATOM 894 CE1 HIS A 59 5.530 -4.613 24.008 1.00 1.00 C ATOM 895 NE2 HIS A 59 6.529 -3.731 24.095 1.00 1.00 N ATOM 0 H HIS A 59 8.818 -4.874 28.453 1.00 1.00 H new ATOM 0 HA HIS A 59 6.137 -5.949 27.949 1.00 1.00 H new ATOM 0 HB2 HIS A 59 8.595 -6.604 26.254 1.00 1.00 H new ATOM 0 HB3 HIS A 59 7.085 -7.492 26.203 1.00 1.00 H new ATOM 0 HD2 HIS A 59 8.363 -3.838 25.302 1.00 1.00 H new ATOM 0 HE1 HIS A 59 4.658 -4.481 23.385 1.00 1.00 H new ATOM 0 HE2 HIS A 59 6.613 -2.840 23.606 1.00 1.00 H new ATOM 903 N HIS A 60 8.984 -7.465 28.733 1.00 1.00 N ATOM 904 CA HIS A 60 9.560 -8.476 29.612 1.00 1.00 C ATOM 905 C HIS A 60 8.615 -9.665 29.756 1.00 1.00 C ATOM 906 O HIS A 60 8.599 -10.558 28.911 1.00 1.00 O ATOM 907 CB HIS A 60 9.840 -7.869 30.988 1.00 1.00 C ATOM 908 CG HIS A 60 10.334 -8.942 31.919 1.00 1.00 C ATOM 909 ND1 HIS A 60 10.326 -8.788 33.297 1.00 1.00 N ATOM 910 CD2 HIS A 60 10.856 -10.191 31.685 1.00 1.00 C ATOM 911 CE1 HIS A 60 10.828 -9.915 33.835 1.00 1.00 C ATOM 912 NE2 HIS A 60 11.168 -10.803 32.896 1.00 1.00 N ATOM 0 H HIS A 60 9.645 -7.041 28.082 1.00 1.00 H new ATOM 0 HA HIS A 60 10.494 -8.825 29.172 1.00 1.00 H new ATOM 0 HB2 HIS A 60 10.583 -7.076 30.903 1.00 1.00 H new ATOM 0 HB3 HIS A 60 8.934 -7.415 31.388 1.00 1.00 H new ATOM 0 HD2 HIS A 60 11.002 -10.631 30.710 1.00 1.00 H new ATOM 0 HE1 HIS A 60 10.942 -10.081 34.896 1.00 1.00 H new ATOM 0 HE2 HIS A 60 11.570 -11.730 33.036 1.00 1.00 H new ATOM 920 N HIS A 61 7.828 -9.660 30.831 1.00 1.00 N ATOM 921 CA HIS A 61 6.874 -10.734 31.087 1.00 1.00 C ATOM 922 C HIS A 61 7.448 -12.090 30.680 1.00 1.00 C ATOM 923 O HIS A 61 8.073 -12.776 31.489 1.00 1.00 O ATOM 924 CB HIS A 61 5.580 -10.461 30.323 1.00 1.00 C ATOM 925 CG HIS A 61 4.587 -9.798 31.239 1.00 1.00 C ATOM 926 ND1 HIS A 61 3.292 -10.268 31.390 1.00 1.00 N ATOM 927 CD2 HIS A 61 4.685 -8.700 32.058 1.00 1.00 C ATOM 928 CE1 HIS A 61 2.668 -9.463 32.269 1.00 1.00 C ATOM 929 NE2 HIS A 61 3.473 -8.491 32.708 1.00 1.00 N ATOM 0 H HIS A 61 7.833 -8.924 31.537 1.00 1.00 H new ATOM 0 HA HIS A 61 6.667 -10.765 32.157 1.00 1.00 H new ATOM 0 HB2 HIS A 61 5.781 -9.822 29.463 1.00 1.00 H new ATOM 0 HB3 HIS A 61 5.169 -11.394 29.938 1.00 1.00 H new ATOM 0 HD2 HIS A 61 5.569 -8.091 32.179 1.00 1.00 H new ATOM 0 HE1 HIS A 61 1.642 -9.587 32.582 1.00 1.00 H new ATOM 0 HE2 HIS A 61 3.247 -7.754 33.376 1.00 1.00 H new ATOM 937 N HIS A 62 7.233 -12.471 29.424 1.00 1.00 N ATOM 938 CA HIS A 62 7.735 -13.744 28.926 1.00 1.00 C ATOM 939 C HIS A 62 7.742 -13.758 27.401 1.00 1.00 C ATOM 940 O HIS A 62 7.191 -12.862 26.761 1.00 1.00 O ATOM 941 CB HIS A 62 6.863 -14.889 29.445 1.00 1.00 C ATOM 942 CG HIS A 62 7.522 -15.520 30.640 1.00 1.00 C ATOM 943 ND1 HIS A 62 8.435 -16.556 30.521 1.00 1.00 N ATOM 944 CD2 HIS A 62 7.408 -15.276 31.986 1.00 1.00 C ATOM 945 CE1 HIS A 62 8.833 -16.892 31.761 1.00 1.00 C ATOM 946 NE2 HIS A 62 8.237 -16.143 32.692 1.00 1.00 N ATOM 0 H HIS A 62 6.718 -11.919 28.738 1.00 1.00 H new ATOM 0 HA HIS A 62 8.756 -13.875 29.284 1.00 1.00 H new ATOM 0 HB2 HIS A 62 5.876 -14.514 29.716 1.00 1.00 H new ATOM 0 HB3 HIS A 62 6.717 -15.633 28.662 1.00 1.00 H new ATOM 0 HD2 HIS A 62 6.771 -14.525 32.430 1.00 1.00 H new ATOM 0 HE1 HIS A 62 9.548 -17.672 31.977 1.00 1.00 H new ATOM 0 HE2 HIS A 62 8.362 -16.195 33.703 1.00 1.00 H new ATOM 954 N HIS A 63 8.368 -14.779 26.825 1.00 1.00 N ATOM 955 CA HIS A 63 8.440 -14.899 25.374 1.00 1.00 C ATOM 956 C HIS A 63 7.043 -14.855 24.762 1.00 1.00 C ATOM 957 O HIS A 63 6.364 -15.878 24.669 1.00 1.00 O ATOM 958 CB HIS A 63 9.126 -16.211 24.992 1.00 1.00 C ATOM 959 CG HIS A 63 10.465 -16.294 25.670 1.00 1.00 C ATOM 960 ND1 HIS A 63 11.339 -15.219 25.713 1.00 1.00 N ATOM 961 CD2 HIS A 63 11.095 -17.316 26.336 1.00 1.00 C ATOM 962 CE1 HIS A 63 12.436 -15.614 26.385 1.00 1.00 C ATOM 963 NE2 HIS A 63 12.339 -16.884 26.786 1.00 1.00 N ATOM 0 H HIS A 63 8.830 -15.531 27.337 1.00 1.00 H new ATOM 0 HA HIS A 63 9.020 -14.061 24.987 1.00 1.00 H new ATOM 0 HB2 HIS A 63 8.505 -17.057 25.286 1.00 1.00 H new ATOM 0 HB3 HIS A 63 9.250 -16.267 23.911 1.00 1.00 H new ATOM 0 HD2 HIS A 63 10.687 -18.305 26.488 1.00 1.00 H new ATOM 0 HE1 HIS A 63 13.290 -14.981 26.577 1.00 1.00 H new ATOM 0 HE2 HIS A 63 13.029 -17.422 27.310 1.00 1.00 H new ATOM 971 N HIS A 64 6.621 -13.665 24.348 1.00 1.00 N ATOM 972 CA HIS A 64 5.303 -13.500 23.747 1.00 1.00 C ATOM 973 C HIS A 64 5.163 -14.382 22.510 1.00 1.00 C ATOM 974 O HIS A 64 4.092 -14.385 21.926 1.00 1.00 O ATOM 975 CB HIS A 64 5.084 -12.036 23.360 1.00 1.00 C ATOM 976 CG HIS A 64 5.785 -11.751 22.060 1.00 1.00 C ATOM 977 ND1 HIS A 64 5.205 -12.026 20.832 1.00 1.00 N ATOM 978 CD2 HIS A 64 7.018 -11.216 21.781 1.00 1.00 C ATOM 979 CE1 HIS A 64 6.081 -11.659 19.878 1.00 1.00 C ATOM 980 NE2 HIS A 64 7.202 -11.158 20.403 1.00 1.00 N ATOM 981 OXT HIS A 64 6.130 -15.042 22.165 1.00 1.00 O ATOM 0 H HIS A 64 7.168 -12.807 24.417 1.00 1.00 H new ATOM 0 HA HIS A 64 4.552 -13.798 24.478 1.00 1.00 H new ATOM 0 HB2 HIS A 64 4.018 -11.830 23.264 1.00 1.00 H new ATOM 0 HB3 HIS A 64 5.466 -11.381 24.143 1.00 1.00 H new ATOM 0 HD1 HIS A 64 4.282 -12.433 20.679 1.00 1.00 H new ATOM 0 HD2 HIS A 64 7.736 -10.890 22.519 1.00 1.00 H new ATOM 0 HE1 HIS A 64 5.899 -11.758 18.818 1.00 1.00 H new TER 989 HIS A 64