USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= 0.557 K(o=0.56,f=-4.8!) USER MOD Single : A 1 GLN N :NH3+ 159:sc= 1.02 (180deg=0.621) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.0134 K(o=0.013,f=-1.3) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= 0.237 K(o=0.24,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.403 -29.835 -34.267 1.00 0.00 N ATOM 2 CA GLN A 1 24.296 -29.531 -32.806 1.00 0.00 C ATOM 3 C GLN A 1 23.942 -30.801 -32.024 1.00 0.00 C ATOM 4 O GLN A 1 23.754 -31.857 -32.596 1.00 0.00 O ATOM 5 CB GLN A 1 23.171 -28.497 -32.686 1.00 0.00 C ATOM 6 CG GLN A 1 23.722 -27.095 -32.971 1.00 0.00 C ATOM 7 CD GLN A 1 23.355 -26.679 -34.398 1.00 0.00 C ATOM 8 OE1 GLN A 1 23.819 -27.270 -35.352 1.00 0.00 O ATOM 9 NE2 GLN A 1 22.538 -25.679 -34.587 1.00 0.00 N ATOM 0 H1 GLN A 1 24.287 -28.958 -34.814 1.00 0.00 H new ATOM 0 H2 GLN A 1 25.336 -30.248 -34.468 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.660 -30.511 -34.536 1.00 0.00 H new ATOM 0 HA GLN A 1 25.235 -29.156 -32.398 1.00 0.00 H new ATOM 0 HB2 GLN A 1 22.371 -28.733 -33.388 1.00 0.00 H new ATOM 0 HB3 GLN A 1 22.738 -28.531 -31.686 1.00 0.00 H new ATOM 0 HG2 GLN A 1 23.313 -26.380 -32.257 1.00 0.00 H new ATOM 0 HG3 GLN A 1 24.805 -27.087 -32.846 1.00 0.00 H new ATOM 0 HE21 GLN A 1 22.147 -25.181 -33.787 1.00 0.00 H new ATOM 0 HE22 GLN A 1 22.290 -25.395 -35.535 1.00 0.00 H new ATOM 20 N VAL A 2 23.848 -30.691 -30.716 1.00 0.00 N ATOM 21 CA VAL A 2 23.502 -31.873 -29.848 1.00 0.00 C ATOM 22 C VAL A 2 24.605 -32.946 -29.922 1.00 0.00 C ATOM 23 O VAL A 2 25.453 -32.925 -30.795 1.00 0.00 O ATOM 24 CB VAL A 2 22.166 -32.416 -30.387 1.00 0.00 C ATOM 25 CG1 VAL A 2 21.603 -33.460 -29.417 1.00 0.00 C ATOM 26 CG2 VAL A 2 21.156 -31.270 -30.527 1.00 0.00 C ATOM 0 H VAL A 2 23.998 -29.821 -30.205 1.00 0.00 H new ATOM 0 HA VAL A 2 23.418 -31.588 -28.799 1.00 0.00 H new ATOM 0 HB VAL A 2 22.339 -32.873 -31.361 1.00 0.00 H new ATOM 0 HG11 VAL A 2 20.657 -33.842 -29.802 1.00 0.00 H new ATOM 0 HG12 VAL A 2 22.312 -34.282 -29.315 1.00 0.00 H new ATOM 0 HG13 VAL A 2 21.439 -33.000 -28.443 1.00 0.00 H new ATOM 0 HG21 VAL A 2 20.213 -31.661 -30.909 1.00 0.00 H new ATOM 0 HG22 VAL A 2 20.990 -30.810 -29.553 1.00 0.00 H new ATOM 0 HG23 VAL A 2 21.546 -30.524 -31.219 1.00 0.00 H new ATOM 36 N TYR A 3 24.598 -33.879 -29.001 1.00 0.00 N ATOM 37 CA TYR A 3 25.638 -34.951 -29.004 1.00 0.00 C ATOM 38 C TYR A 3 25.001 -36.319 -28.731 1.00 0.00 C ATOM 39 O TYR A 3 24.002 -36.423 -28.042 1.00 0.00 O ATOM 40 CB TYR A 3 26.598 -34.573 -27.873 1.00 0.00 C ATOM 41 CG TYR A 3 28.008 -34.957 -28.255 1.00 0.00 C ATOM 42 CD1 TYR A 3 28.822 -34.042 -28.933 1.00 0.00 C ATOM 43 CD2 TYR A 3 28.501 -36.225 -27.928 1.00 0.00 C ATOM 44 CE1 TYR A 3 30.129 -34.396 -29.287 1.00 0.00 C ATOM 45 CE2 TYR A 3 29.808 -36.580 -28.281 1.00 0.00 C ATOM 46 CZ TYR A 3 30.622 -35.665 -28.961 1.00 0.00 C ATOM 47 OH TYR A 3 31.912 -36.013 -29.309 1.00 0.00 O ATOM 0 H TYR A 3 23.915 -33.943 -28.246 1.00 0.00 H new ATOM 0 HA TYR A 3 26.145 -35.027 -29.966 1.00 0.00 H new ATOM 0 HB2 TYR A 3 26.542 -33.502 -27.678 1.00 0.00 H new ATOM 0 HB3 TYR A 3 26.309 -35.080 -26.952 1.00 0.00 H new ATOM 0 HD1 TYR A 3 28.441 -33.063 -29.183 1.00 0.00 H new ATOM 0 HD2 TYR A 3 27.873 -36.930 -27.403 1.00 0.00 H new ATOM 0 HE1 TYR A 3 30.757 -33.691 -29.811 1.00 0.00 H new ATOM 0 HE2 TYR A 3 30.189 -37.559 -28.029 1.00 0.00 H new ATOM 0 HH TYR A 3 32.097 -36.927 -29.008 1.00 0.00 H new ATOM 57 N LYS A 4 25.579 -37.369 -29.262 1.00 0.00 N ATOM 58 CA LYS A 4 25.020 -38.736 -29.032 1.00 0.00 C ATOM 59 C LYS A 4 25.858 -39.473 -27.979 1.00 0.00 C ATOM 60 O LYS A 4 26.873 -40.070 -28.288 1.00 0.00 O ATOM 61 CB LYS A 4 25.108 -39.441 -30.390 1.00 0.00 C ATOM 62 CG LYS A 4 23.989 -38.938 -31.308 1.00 0.00 C ATOM 63 CD LYS A 4 24.583 -38.037 -32.394 1.00 0.00 C ATOM 64 CE LYS A 4 23.469 -37.210 -33.045 1.00 0.00 C ATOM 65 NZ LYS A 4 23.093 -37.958 -34.281 1.00 0.00 N ATOM 0 H LYS A 4 26.415 -37.337 -29.846 1.00 0.00 H new ATOM 0 HA LYS A 4 23.995 -38.709 -28.661 1.00 0.00 H new ATOM 0 HB2 LYS A 4 26.079 -39.251 -30.847 1.00 0.00 H new ATOM 0 HB3 LYS A 4 25.024 -40.520 -30.256 1.00 0.00 H new ATOM 0 HG2 LYS A 4 23.472 -39.782 -31.764 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.249 -38.386 -30.728 1.00 0.00 H new ATOM 0 HD2 LYS A 4 25.334 -37.376 -31.961 1.00 0.00 H new ATOM 0 HD3 LYS A 4 25.087 -38.643 -33.147 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.616 -37.103 -32.375 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.814 -36.204 -33.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.334 -37.449 -34.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.922 -38.038 -34.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.760 -38.909 -34.024 1.00 0.00 H new ATOM 79 N GLY A 5 25.442 -39.428 -26.738 1.00 0.00 N ATOM 80 CA GLY A 5 26.208 -40.118 -25.659 1.00 0.00 C ATOM 81 C GLY A 5 27.406 -39.256 -25.246 1.00 0.00 C ATOM 82 O GLY A 5 28.537 -39.707 -25.255 1.00 0.00 O ATOM 0 H GLY A 5 24.602 -38.941 -26.426 1.00 0.00 H new ATOM 0 HA2 GLY A 5 25.563 -40.297 -24.799 1.00 0.00 H new ATOM 0 HA3 GLY A 5 26.551 -41.092 -26.009 1.00 0.00 H new ATOM 86 N GLY A 6 27.165 -38.019 -24.885 1.00 0.00 N ATOM 87 CA GLY A 6 28.284 -37.122 -24.472 1.00 0.00 C ATOM 88 C GLY A 6 27.721 -35.769 -24.029 1.00 0.00 C ATOM 89 O GLY A 6 27.490 -34.891 -24.837 1.00 0.00 O ATOM 0 H GLY A 6 26.239 -37.593 -24.859 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.847 -37.577 -23.657 1.00 0.00 H new ATOM 0 HA3 GLY A 6 28.978 -36.985 -25.301 1.00 0.00 H new ATOM 93 N TYR A 7 27.501 -35.599 -22.748 1.00 0.00 N ATOM 94 CA TYR A 7 26.953 -34.302 -22.243 1.00 0.00 C ATOM 95 C TYR A 7 28.085 -33.285 -22.057 1.00 0.00 C ATOM 96 O TYR A 7 29.062 -33.548 -21.379 1.00 0.00 O ATOM 97 CB TYR A 7 26.300 -34.636 -20.896 1.00 0.00 C ATOM 98 CG TYR A 7 24.798 -34.681 -21.055 1.00 0.00 C ATOM 99 CD1 TYR A 7 24.189 -35.796 -21.643 1.00 0.00 C ATOM 100 CD2 TYR A 7 24.015 -33.607 -20.614 1.00 0.00 C ATOM 101 CE1 TYR A 7 22.797 -35.837 -21.789 1.00 0.00 C ATOM 102 CE2 TYR A 7 22.623 -33.648 -20.760 1.00 0.00 C ATOM 103 CZ TYR A 7 22.014 -34.763 -21.346 1.00 0.00 C ATOM 104 OH TYR A 7 20.642 -34.804 -21.491 1.00 0.00 O ATOM 0 H TYR A 7 27.677 -36.302 -22.031 1.00 0.00 H new ATOM 0 HA TYR A 7 26.240 -33.859 -22.938 1.00 0.00 H new ATOM 0 HB2 TYR A 7 26.666 -35.596 -20.532 1.00 0.00 H new ATOM 0 HB3 TYR A 7 26.574 -33.888 -20.152 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.793 -36.624 -21.984 1.00 0.00 H new ATOM 0 HD2 TYR A 7 24.485 -32.747 -20.161 1.00 0.00 H new ATOM 0 HE1 TYR A 7 22.327 -36.697 -22.243 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.020 -32.819 -20.420 1.00 0.00 H new ATOM 0 HH TYR A 7 20.250 -33.981 -21.131 1.00 0.00 H new ATOM 114 N ALA A 8 27.959 -32.124 -22.658 1.00 0.00 N ATOM 115 CA ALA A 8 29.022 -31.081 -22.523 1.00 0.00 C ATOM 116 C ALA A 8 28.487 -29.711 -22.965 1.00 0.00 C ATOM 117 O ALA A 8 28.507 -28.759 -22.208 1.00 0.00 O ATOM 118 CB ALA A 8 30.155 -31.540 -23.445 1.00 0.00 C ATOM 0 H ALA A 8 27.163 -31.855 -23.237 1.00 0.00 H new ATOM 0 HA ALA A 8 29.358 -30.970 -21.492 1.00 0.00 H new ATOM 0 HB1 ALA A 8 30.974 -30.823 -23.400 1.00 0.00 H new ATOM 0 HB2 ALA A 8 30.512 -32.519 -23.124 1.00 0.00 H new ATOM 0 HB3 ALA A 8 29.787 -31.606 -24.469 1.00 0.00 H new ATOM 124 N ARG A 9 28.008 -29.607 -24.182 1.00 0.00 N ATOM 125 CA ARG A 9 27.472 -28.303 -24.674 1.00 0.00 C ATOM 126 C ARG A 9 26.083 -28.033 -24.075 1.00 0.00 C ATOM 127 O ARG A 9 25.398 -28.950 -23.663 1.00 0.00 O ATOM 128 CB ARG A 9 27.376 -28.463 -26.192 1.00 0.00 C ATOM 129 CG ARG A 9 28.667 -27.960 -26.846 1.00 0.00 C ATOM 130 CD ARG A 9 29.305 -29.091 -27.658 1.00 0.00 C ATOM 131 NE ARG A 9 28.803 -28.900 -29.049 1.00 0.00 N ATOM 132 CZ ARG A 9 29.644 -28.858 -30.046 1.00 0.00 C ATOM 133 NH1 ARG A 9 30.289 -27.752 -30.311 1.00 0.00 N ATOM 134 NH2 ARG A 9 29.839 -29.925 -30.777 1.00 0.00 N ATOM 0 H ARG A 9 27.966 -30.372 -24.855 1.00 0.00 H new ATOM 0 HA ARG A 9 28.107 -27.465 -24.388 1.00 0.00 H new ATOM 0 HB2 ARG A 9 27.211 -29.510 -26.447 1.00 0.00 H new ATOM 0 HB3 ARG A 9 26.522 -27.904 -26.573 1.00 0.00 H new ATOM 0 HG2 ARG A 9 28.451 -27.110 -27.494 1.00 0.00 H new ATOM 0 HG3 ARG A 9 29.361 -27.610 -26.082 1.00 0.00 H new ATOM 0 HD2 ARG A 9 30.393 -29.038 -27.621 1.00 0.00 H new ATOM 0 HD3 ARG A 9 29.020 -30.067 -27.266 1.00 0.00 H new ATOM 0 HE ARG A 9 27.802 -28.802 -29.221 1.00 0.00 H new ATOM 0 HH11 ARG A 9 30.135 -26.922 -29.738 1.00 0.00 H new ATOM 0 HH12 ARG A 9 30.946 -27.719 -31.090 1.00 0.00 H new ATOM 0 HH21 ARG A 9 29.334 -30.786 -30.567 1.00 0.00 H new ATOM 0 HH22 ARG A 9 30.496 -29.896 -31.557 1.00 0.00 H new ATOM 148 N PRO A 10 25.709 -26.775 -24.054 1.00 0.00 N ATOM 149 CA PRO A 10 24.385 -26.379 -23.504 1.00 0.00 C ATOM 150 C PRO A 10 23.254 -26.809 -24.452 1.00 0.00 C ATOM 151 O PRO A 10 23.359 -26.678 -25.658 1.00 0.00 O ATOM 152 CB PRO A 10 24.475 -24.858 -23.412 1.00 0.00 C ATOM 153 CG PRO A 10 25.502 -24.468 -24.426 1.00 0.00 C ATOM 154 CD PRO A 10 26.473 -25.614 -24.532 1.00 0.00 C ATOM 0 HA PRO A 10 24.164 -26.846 -22.544 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.513 -24.392 -23.626 1.00 0.00 H new ATOM 0 HB3 PRO A 10 24.768 -24.540 -22.411 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.035 -24.268 -25.390 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.015 -23.555 -24.124 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.813 -25.755 -25.558 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.361 -25.442 -23.923 1.00 0.00 H new ATOM 162 N ILE A 11 22.177 -27.323 -23.911 1.00 0.00 N ATOM 163 CA ILE A 11 21.039 -27.765 -24.769 1.00 0.00 C ATOM 164 C ILE A 11 20.027 -26.620 -24.931 1.00 0.00 C ATOM 165 O ILE A 11 19.672 -25.969 -23.966 1.00 0.00 O ATOM 166 CB ILE A 11 20.408 -28.950 -24.024 1.00 0.00 C ATOM 167 CG1 ILE A 11 21.404 -30.116 -23.983 1.00 0.00 C ATOM 168 CG2 ILE A 11 19.133 -29.400 -24.745 1.00 0.00 C ATOM 169 CD1 ILE A 11 21.123 -30.987 -22.757 1.00 0.00 C ATOM 0 H ILE A 11 22.039 -27.455 -22.909 1.00 0.00 H new ATOM 0 HA ILE A 11 21.361 -28.048 -25.771 1.00 0.00 H new ATOM 0 HB ILE A 11 20.159 -28.642 -23.009 1.00 0.00 H new ATOM 0 HG12 ILE A 11 21.320 -30.712 -24.892 1.00 0.00 H new ATOM 0 HG13 ILE A 11 22.424 -29.735 -23.945 1.00 0.00 H new ATOM 0 HG21 ILE A 11 18.691 -30.241 -24.211 1.00 0.00 H new ATOM 0 HG22 ILE A 11 18.422 -28.575 -24.775 1.00 0.00 H new ATOM 0 HG23 ILE A 11 19.379 -29.705 -25.762 1.00 0.00 H new ATOM 0 HD11 ILE A 11 21.831 -31.815 -22.729 1.00 0.00 H new ATOM 0 HD12 ILE A 11 21.229 -30.388 -21.853 1.00 0.00 H new ATOM 0 HD13 ILE A 11 20.108 -31.380 -22.815 1.00 0.00 H new ATOM 181 N PRO A 12 19.598 -26.414 -26.155 1.00 0.00 N ATOM 182 CA PRO A 12 18.615 -25.338 -26.455 1.00 0.00 C ATOM 183 C PRO A 12 17.225 -25.702 -25.907 1.00 0.00 C ATOM 184 O PRO A 12 16.318 -26.033 -26.649 1.00 0.00 O ATOM 185 CB PRO A 12 18.611 -25.275 -27.983 1.00 0.00 C ATOM 186 CG PRO A 12 19.058 -26.631 -28.427 1.00 0.00 C ATOM 187 CD PRO A 12 19.983 -27.157 -27.363 1.00 0.00 C ATOM 0 HA PRO A 12 18.871 -24.383 -25.996 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.617 -25.042 -28.366 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.283 -24.499 -28.348 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.204 -27.295 -28.559 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.568 -26.574 -29.388 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.862 -28.232 -27.226 1.00 0.00 H new ATOM 0 HD3 PRO A 12 21.028 -26.984 -27.622 1.00 0.00 H new ATOM 195 N ARG A 13 17.057 -25.637 -24.609 1.00 0.00 N ATOM 196 CA ARG A 13 15.738 -25.970 -23.996 1.00 0.00 C ATOM 197 C ARG A 13 15.530 -25.141 -22.720 1.00 0.00 C ATOM 198 O ARG A 13 16.337 -25.201 -21.810 1.00 0.00 O ATOM 199 CB ARG A 13 15.811 -27.464 -23.663 1.00 0.00 C ATOM 200 CG ARG A 13 14.477 -27.923 -23.067 1.00 0.00 C ATOM 201 CD ARG A 13 14.303 -29.428 -23.288 1.00 0.00 C ATOM 202 NE ARG A 13 13.000 -29.764 -22.645 1.00 0.00 N ATOM 203 CZ ARG A 13 11.912 -29.827 -23.366 1.00 0.00 C ATOM 204 NH1 ARG A 13 11.244 -28.736 -23.634 1.00 0.00 N ATOM 205 NH2 ARG A 13 11.495 -30.981 -23.817 1.00 0.00 N ATOM 0 H ARG A 13 17.783 -25.366 -23.946 1.00 0.00 H new ATOM 0 HA ARG A 13 14.905 -25.748 -24.663 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.035 -28.037 -24.563 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.620 -27.650 -22.957 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.447 -27.696 -22.001 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.654 -27.380 -23.532 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.294 -29.673 -24.350 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.122 -29.990 -22.839 1.00 0.00 H new ATOM 0 HE ARG A 13 12.958 -29.945 -21.642 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.572 -27.837 -23.281 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.395 -28.783 -24.197 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.019 -31.830 -23.606 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.646 -31.032 -24.380 1.00 0.00 H new ATOM 219 N PRO A 14 14.452 -24.390 -22.696 1.00 0.00 N ATOM 220 CA PRO A 14 14.140 -23.541 -21.517 1.00 0.00 C ATOM 221 C PRO A 14 13.624 -24.403 -20.352 1.00 0.00 C ATOM 222 O PRO A 14 12.597 -25.046 -20.469 1.00 0.00 O ATOM 223 CB PRO A 14 13.047 -22.605 -22.029 1.00 0.00 C ATOM 224 CG PRO A 14 12.400 -23.339 -23.162 1.00 0.00 C ATOM 225 CD PRO A 14 13.437 -24.260 -23.752 1.00 0.00 C ATOM 0 HA PRO A 14 15.008 -23.005 -21.134 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.325 -22.376 -21.245 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.466 -21.656 -22.363 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.538 -23.906 -22.810 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.035 -22.640 -23.914 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.008 -25.228 -24.012 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.864 -23.845 -24.665 1.00 0.00 H new ATOM 233 N PRO A 15 14.357 -24.387 -19.261 1.00 0.00 N ATOM 234 CA PRO A 15 13.964 -25.177 -18.067 1.00 0.00 C ATOM 235 C PRO A 15 12.806 -24.492 -17.322 1.00 0.00 C ATOM 236 O PRO A 15 12.750 -23.278 -17.255 1.00 0.00 O ATOM 237 CB PRO A 15 15.226 -25.185 -17.211 1.00 0.00 C ATOM 238 CG PRO A 15 15.988 -23.963 -17.618 1.00 0.00 C ATOM 239 CD PRO A 15 15.608 -23.646 -19.042 1.00 0.00 C ATOM 0 HA PRO A 15 13.614 -26.179 -18.316 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.981 -25.160 -16.149 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.811 -26.088 -17.382 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.749 -23.126 -16.962 1.00 0.00 H new ATOM 0 HG3 PRO A 15 17.061 -24.136 -17.537 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.466 -22.575 -19.186 1.00 0.00 H new ATOM 0 HD3 PRO A 15 16.384 -23.961 -19.740 1.00 0.00 H new ATOM 247 N PRO A 16 11.918 -25.297 -16.784 1.00 0.00 N ATOM 248 CA PRO A 16 10.754 -24.759 -16.033 1.00 0.00 C ATOM 249 C PRO A 16 11.194 -24.265 -14.645 1.00 0.00 C ATOM 250 O PRO A 16 11.019 -24.943 -13.647 1.00 0.00 O ATOM 251 CB PRO A 16 9.814 -25.957 -15.922 1.00 0.00 C ATOM 252 CG PRO A 16 10.698 -27.162 -16.026 1.00 0.00 C ATOM 253 CD PRO A 16 11.913 -26.766 -16.827 1.00 0.00 C ATOM 0 HA PRO A 16 10.284 -23.904 -16.520 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.273 -25.946 -14.976 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.068 -25.947 -16.716 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.989 -27.510 -15.035 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.171 -27.984 -16.511 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.825 -27.179 -16.396 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.850 -27.133 -17.851 1.00 0.00 H new ATOM 261 N PHE A 17 11.767 -23.089 -14.576 1.00 0.00 N ATOM 262 CA PHE A 17 12.224 -22.547 -13.261 1.00 0.00 C ATOM 263 C PHE A 17 11.115 -21.711 -12.611 1.00 0.00 C ATOM 264 O PHE A 17 10.308 -21.097 -13.284 1.00 0.00 O ATOM 265 CB PHE A 17 13.440 -21.672 -13.589 1.00 0.00 C ATOM 266 CG PHE A 17 13.984 -21.053 -12.320 1.00 0.00 C ATOM 267 CD1 PHE A 17 14.823 -21.797 -11.481 1.00 0.00 C ATOM 268 CD2 PHE A 17 13.647 -19.736 -11.983 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.325 -21.224 -10.306 1.00 0.00 C ATOM 270 CE2 PHE A 17 14.148 -19.163 -10.809 1.00 0.00 C ATOM 271 CZ PHE A 17 14.988 -19.907 -9.971 1.00 0.00 C ATOM 0 H PHE A 17 11.938 -22.480 -15.376 1.00 0.00 H new ATOM 0 HA PHE A 17 12.473 -23.340 -12.555 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.212 -22.272 -14.071 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.157 -20.890 -14.294 1.00 0.00 H new ATOM 0 HD1 PHE A 17 15.083 -22.813 -11.740 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.000 -19.162 -12.630 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.972 -21.798 -9.659 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.887 -18.148 -10.549 1.00 0.00 H new ATOM 0 HZ PHE A 17 15.376 -19.464 -9.066 1.00 0.00 H new ATOM 281 N VAL A 18 11.080 -21.688 -11.303 1.00 0.00 N ATOM 282 CA VAL A 18 10.037 -20.895 -10.582 1.00 0.00 C ATOM 283 C VAL A 18 10.705 -19.933 -9.591 1.00 0.00 C ATOM 284 O VAL A 18 11.726 -20.245 -9.006 1.00 0.00 O ATOM 285 CB VAL A 18 9.181 -21.930 -9.841 1.00 0.00 C ATOM 286 CG1 VAL A 18 8.058 -21.220 -9.079 1.00 0.00 C ATOM 287 CG2 VAL A 18 8.565 -22.907 -10.847 1.00 0.00 C ATOM 0 H VAL A 18 11.733 -22.187 -10.699 1.00 0.00 H new ATOM 0 HA VAL A 18 9.435 -20.290 -11.260 1.00 0.00 H new ATOM 0 HB VAL A 18 9.811 -22.476 -9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.452 -21.958 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.490 -20.526 -8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.432 -20.670 -9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.958 -23.641 -10.317 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.939 -22.358 -11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.359 -23.418 -11.391 1.00 0.00 H new ATOM 297 N ARG A 19 10.134 -18.769 -9.401 1.00 0.00 N ATOM 298 CA ARG A 19 10.730 -17.783 -8.450 1.00 0.00 C ATOM 299 C ARG A 19 10.117 -17.958 -7.050 1.00 0.00 C ATOM 300 O ARG A 19 8.946 -17.691 -6.850 1.00 0.00 O ATOM 301 CB ARG A 19 10.374 -16.409 -9.034 1.00 0.00 C ATOM 302 CG ARG A 19 11.569 -15.459 -8.896 1.00 0.00 C ATOM 303 CD ARG A 19 12.485 -15.599 -10.118 1.00 0.00 C ATOM 304 NE ARG A 19 12.698 -14.205 -10.612 1.00 0.00 N ATOM 305 CZ ARG A 19 12.361 -13.886 -11.834 1.00 0.00 C ATOM 306 NH1 ARG A 19 13.166 -14.165 -12.826 1.00 0.00 N ATOM 307 NH2 ARG A 19 11.221 -13.287 -12.062 1.00 0.00 N ATOM 0 H ARG A 19 9.280 -18.460 -9.865 1.00 0.00 H new ATOM 0 HA ARG A 19 11.807 -17.910 -8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.098 -16.511 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.508 -15.997 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.220 -14.430 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.124 -15.687 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.431 -16.070 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.025 -16.222 -10.885 1.00 0.00 H new ATOM 0 HE ARG A 19 13.106 -13.502 -9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.055 -14.631 -12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.905 -13.917 -13.780 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.595 -13.069 -11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.958 -13.038 -13.015 1.00 0.00 H new ATOM 321 N PRO A 20 10.934 -18.408 -6.122 1.00 0.00 N ATOM 322 CA PRO A 20 10.462 -18.624 -4.727 1.00 0.00 C ATOM 323 C PRO A 20 10.282 -17.286 -3.996 1.00 0.00 C ATOM 324 O PRO A 20 10.533 -16.230 -4.544 1.00 0.00 O ATOM 325 CB PRO A 20 11.588 -19.437 -4.092 1.00 0.00 C ATOM 326 CG PRO A 20 12.808 -19.101 -4.887 1.00 0.00 C ATOM 327 CD PRO A 20 12.352 -18.759 -6.281 1.00 0.00 C ATOM 0 HA PRO A 20 9.495 -19.124 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.718 -19.177 -3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.374 -20.505 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.339 -18.261 -4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.500 -19.943 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.924 -17.928 -6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.480 -19.602 -6.960 1.00 0.00 H new ATOM 335 N LEU A 21 9.853 -17.340 -2.754 1.00 0.00 N ATOM 336 CA LEU A 21 9.646 -16.092 -1.946 1.00 0.00 C ATOM 337 C LEU A 21 8.724 -15.106 -2.685 1.00 0.00 C ATOM 338 O LEU A 21 9.170 -14.087 -3.180 1.00 0.00 O ATOM 339 CB LEU A 21 11.049 -15.497 -1.751 1.00 0.00 C ATOM 340 CG LEU A 21 11.529 -15.778 -0.325 1.00 0.00 C ATOM 341 CD1 LEU A 21 13.047 -15.972 -0.325 1.00 0.00 C ATOM 342 CD2 LEU A 21 11.169 -14.595 0.578 1.00 0.00 C ATOM 0 H LEU A 21 9.635 -18.206 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 21 9.162 -16.302 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.743 -15.930 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.029 -14.423 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 21 11.046 -16.681 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.388 -16.172 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.306 -16.814 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.529 -15.069 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.511 -14.795 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.651 -13.692 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.088 -14.455 0.580 1.00 0.00 H new ATOM 354 N PRO A 22 7.456 -15.443 -2.727 1.00 0.00 N ATOM 355 CA PRO A 22 6.458 -14.578 -3.406 1.00 0.00 C ATOM 356 C PRO A 22 6.150 -13.341 -2.548 1.00 0.00 C ATOM 357 O PRO A 22 6.095 -13.417 -1.334 1.00 0.00 O ATOM 358 CB PRO A 22 5.230 -15.475 -3.529 1.00 0.00 C ATOM 359 CG PRO A 22 5.368 -16.483 -2.433 1.00 0.00 C ATOM 360 CD PRO A 22 6.841 -16.649 -2.155 1.00 0.00 C ATOM 0 HA PRO A 22 6.801 -14.201 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.310 -14.900 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.192 -15.958 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.844 -16.150 -1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.924 -17.434 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.038 -16.727 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.234 -17.554 -2.618 1.00 0.00 H new ATOM 368 N GLY A 23 5.953 -12.206 -3.172 1.00 0.00 N ATOM 369 CA GLY A 23 5.652 -10.963 -2.400 1.00 0.00 C ATOM 370 C GLY A 23 4.142 -10.715 -2.390 1.00 0.00 C ATOM 371 O GLY A 23 3.666 -9.729 -2.918 1.00 0.00 O ATOM 0 H GLY A 23 5.988 -12.088 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.021 -11.059 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.167 -10.112 -2.846 1.00 0.00 H new ATOM 375 N GLY A 24 3.386 -11.605 -1.795 1.00 0.00 N ATOM 376 CA GLY A 24 1.903 -11.426 -1.749 1.00 0.00 C ATOM 377 C GLY A 24 1.262 -12.068 -2.987 1.00 0.00 C ATOM 378 O GLY A 24 1.943 -12.389 -3.943 1.00 0.00 O ATOM 0 H GLY A 24 3.733 -12.449 -1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.501 -11.880 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.657 -10.365 -1.710 1.00 0.00 H new ATOM 382 N PRO A 25 -0.039 -12.232 -2.928 1.00 0.00 N ATOM 383 CA PRO A 25 -0.789 -12.841 -4.060 1.00 0.00 C ATOM 384 C PRO A 25 -0.862 -11.869 -5.246 1.00 0.00 C ATOM 385 O PRO A 25 -0.808 -10.665 -5.078 1.00 0.00 O ATOM 386 CB PRO A 25 -2.177 -13.092 -3.477 1.00 0.00 C ATOM 387 CG PRO A 25 -2.312 -12.109 -2.359 1.00 0.00 C ATOM 388 CD PRO A 25 -0.928 -11.872 -1.813 1.00 0.00 C ATOM 0 HA PRO A 25 -0.321 -13.748 -4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.953 -12.944 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.274 -14.116 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.751 -11.177 -2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.972 -12.496 -1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.790 -10.834 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.735 -12.487 -0.934 1.00 0.00 H new ATOM 396 N ILE A 26 -0.984 -12.387 -6.444 1.00 0.00 N ATOM 397 CA ILE A 26 -1.062 -11.501 -7.644 1.00 0.00 C ATOM 398 C ILE A 26 -2.498 -10.999 -7.848 1.00 0.00 C ATOM 399 O ILE A 26 -3.457 -11.666 -7.499 1.00 0.00 O ATOM 400 CB ILE A 26 -0.606 -12.372 -8.825 1.00 0.00 C ATOM 401 CG1 ILE A 26 -0.448 -11.497 -10.073 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.637 -13.474 -9.105 1.00 0.00 C ATOM 403 CD1 ILE A 26 0.456 -12.204 -11.086 1.00 0.00 C ATOM 0 H ILE A 26 -1.033 -13.387 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.437 -10.614 -7.540 1.00 0.00 H new ATOM 0 HB ILE A 26 0.348 -12.835 -8.573 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.424 -11.300 -10.517 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.021 -10.532 -9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.300 -14.083 -9.944 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.746 -14.103 -8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.598 -13.020 -9.349 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.567 -11.580 -11.973 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.435 -12.378 -10.640 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.010 -13.158 -11.367 1.00 0.00 H new ATOM 415 N GLY A 27 -2.648 -9.827 -8.410 1.00 0.00 N ATOM 416 CA GLY A 27 -4.012 -9.266 -8.644 1.00 0.00 C ATOM 417 C GLY A 27 -4.567 -8.687 -7.336 1.00 0.00 C ATOM 418 O GLY A 27 -5.310 -9.349 -6.637 1.00 0.00 O ATOM 0 H GLY A 27 -1.880 -9.231 -8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.970 -8.489 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.676 -10.045 -9.018 1.00 0.00 H new ATOM 422 N PRO A 28 -4.191 -7.461 -7.053 1.00 0.00 N ATOM 423 CA PRO A 28 -4.662 -6.781 -5.814 1.00 0.00 C ATOM 424 C PRO A 28 -6.140 -6.375 -5.940 1.00 0.00 C ATOM 425 O PRO A 28 -6.871 -6.365 -4.967 1.00 0.00 O ATOM 426 CB PRO A 28 -3.763 -5.552 -5.718 1.00 0.00 C ATOM 427 CG PRO A 28 -3.315 -5.281 -7.120 1.00 0.00 C ATOM 428 CD PRO A 28 -3.302 -6.601 -7.848 1.00 0.00 C ATOM 0 HA PRO A 28 -4.604 -7.417 -4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.304 -4.700 -5.306 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.912 -5.737 -5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.989 -4.578 -7.610 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.323 -4.829 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.662 -6.495 -8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.295 -7.014 -7.905 1.00 0.00 H new ATOM 436 N TYR A 29 -6.581 -6.037 -7.129 1.00 0.00 N ATOM 437 CA TYR A 29 -8.006 -5.630 -7.328 1.00 0.00 C ATOM 438 C TYR A 29 -8.905 -6.875 -7.408 1.00 0.00 C ATOM 439 O TYR A 29 -9.518 -7.148 -8.425 1.00 0.00 O ATOM 440 CB TYR A 29 -7.999 -4.864 -8.656 1.00 0.00 C ATOM 441 CG TYR A 29 -9.265 -4.050 -8.809 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.484 -2.925 -8.000 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.210 -4.409 -9.777 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.649 -2.165 -8.161 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.375 -3.651 -9.935 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.594 -2.528 -9.127 1.00 0.00 C ATOM 447 OH TYR A 29 -12.742 -1.777 -9.287 1.00 0.00 O ATOM 0 H TYR A 29 -6.010 -6.026 -7.974 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.395 -5.023 -6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.131 -4.207 -8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.909 -5.565 -9.486 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.755 -2.645 -7.254 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.039 -5.272 -10.403 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.818 -1.298 -7.539 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.105 -3.932 -10.680 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.290 -2.165 -10.000 1.00 0.00 H new ATOM 457 N ASN A 30 -8.979 -7.637 -6.342 1.00 0.00 N ATOM 458 CA ASN A 30 -9.827 -8.868 -6.345 1.00 0.00 C ATOM 459 C ASN A 30 -10.399 -9.140 -4.943 1.00 0.00 C ATOM 460 O ASN A 30 -10.504 -10.276 -4.517 1.00 0.00 O ATOM 461 CB ASN A 30 -8.876 -9.995 -6.765 1.00 0.00 C ATOM 462 CG ASN A 30 -8.819 -10.082 -8.292 1.00 0.00 C ATOM 463 OD1 ASN A 30 -9.714 -10.615 -8.916 1.00 0.00 O ATOM 464 ND2 ASN A 30 -7.795 -9.578 -8.926 1.00 0.00 N ATOM 0 H ASN A 30 -8.486 -7.457 -5.468 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.682 -8.775 -7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.879 -9.810 -6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.216 -10.944 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.748 -9.632 -9.943 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.042 -9.130 -8.404 1.00 0.00 H new ATOM 471 N GLY A 31 -10.770 -8.109 -4.226 1.00 0.00 N ATOM 472 CA GLY A 31 -11.335 -8.310 -2.856 1.00 0.00 C ATOM 473 C GLY A 31 -12.272 -7.151 -2.501 1.00 0.00 C ATOM 474 O GLY A 31 -12.214 -6.609 -1.414 1.00 0.00 O ATOM 0 H GLY A 31 -10.706 -7.137 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.878 -9.254 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.528 -8.373 -2.126 1.00 0.00 H new ATOM 478 N CYS A 32 -13.135 -6.769 -3.413 1.00 0.00 N ATOM 479 CA CYS A 32 -14.079 -5.643 -3.140 1.00 0.00 C ATOM 480 C CYS A 32 -15.140 -5.563 -4.248 1.00 0.00 C ATOM 481 O CYS A 32 -14.848 -5.125 -5.345 1.00 0.00 O ATOM 482 CB CYS A 32 -13.210 -4.384 -3.149 1.00 0.00 C ATOM 483 SG CYS A 32 -14.162 -3.003 -2.474 1.00 0.00 S ATOM 0 H CYS A 32 -13.225 -7.191 -4.337 1.00 0.00 H new ATOM 0 HA CYS A 32 -14.608 -5.769 -2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.309 -4.545 -2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.887 -4.157 -4.165 1.00 0.00 H new ATOM 488 N PRO A 33 -16.342 -5.985 -3.930 1.00 0.00 N ATOM 489 CA PRO A 33 -17.444 -5.947 -4.927 1.00 0.00 C ATOM 490 C PRO A 33 -17.874 -4.497 -5.197 1.00 0.00 C ATOM 491 O PRO A 33 -18.173 -3.750 -4.284 1.00 0.00 O ATOM 492 CB PRO A 33 -18.563 -6.740 -4.256 1.00 0.00 C ATOM 493 CG PRO A 33 -18.284 -6.641 -2.791 1.00 0.00 C ATOM 494 CD PRO A 33 -16.788 -6.531 -2.639 1.00 0.00 C ATOM 0 HA PRO A 33 -17.163 -6.360 -5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.541 -6.326 -4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.565 -7.778 -4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.781 -5.772 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.663 -7.518 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.517 -5.874 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.334 -7.501 -2.437 1.00 0.00 H new ATOM 502 N VAL A 34 -17.900 -4.097 -6.445 1.00 0.00 N ATOM 503 CA VAL A 34 -18.307 -2.693 -6.785 1.00 0.00 C ATOM 504 C VAL A 34 -19.762 -2.437 -6.357 1.00 0.00 C ATOM 505 O VAL A 34 -20.118 -1.334 -5.988 1.00 0.00 O ATOM 506 CB VAL A 34 -18.159 -2.586 -8.309 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.661 -1.220 -8.786 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.684 -2.742 -8.695 1.00 0.00 C ATOM 0 H VAL A 34 -17.657 -4.681 -7.245 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.695 -1.953 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.748 -3.374 -8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.553 -1.150 -9.868 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.711 -1.104 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.076 -0.432 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.581 -2.666 -9.777 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.098 -1.956 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.322 -3.715 -8.364 1.00 0.00 H new ATOM 518 N SER A 35 -20.598 -3.449 -6.400 1.00 0.00 N ATOM 519 CA SER A 35 -22.027 -3.270 -5.992 1.00 0.00 C ATOM 520 C SER A 35 -22.150 -3.098 -4.468 1.00 0.00 C ATOM 521 O SER A 35 -23.183 -2.690 -3.971 1.00 0.00 O ATOM 522 CB SER A 35 -22.734 -4.550 -6.444 1.00 0.00 C ATOM 523 OG SER A 35 -24.053 -4.235 -6.872 1.00 0.00 O ATOM 0 H SER A 35 -20.351 -4.392 -6.701 1.00 0.00 H new ATOM 0 HA SER A 35 -22.464 -2.377 -6.439 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.178 -5.018 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.767 -5.269 -5.625 1.00 0.00 H new ATOM 0 HG SER A 35 -24.507 -5.053 -7.163 1.00 0.00 H new ATOM 529 N CYS A 36 -21.104 -3.408 -3.727 1.00 0.00 N ATOM 530 CA CYS A 36 -21.142 -3.271 -2.234 1.00 0.00 C ATOM 531 C CYS A 36 -22.281 -4.107 -1.631 1.00 0.00 C ATOM 532 O CYS A 36 -22.837 -3.763 -0.604 1.00 0.00 O ATOM 533 CB CYS A 36 -21.359 -1.779 -1.957 1.00 0.00 C ATOM 534 SG CYS A 36 -20.144 -0.800 -2.876 1.00 0.00 S ATOM 0 H CYS A 36 -20.219 -3.753 -4.100 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.220 -3.634 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.368 -1.489 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.266 -1.581 -0.889 1.00 0.00 H new ATOM 539 N ARG A 37 -22.626 -5.206 -2.256 1.00 0.00 N ATOM 540 CA ARG A 37 -23.719 -6.068 -1.716 1.00 0.00 C ATOM 541 C ARG A 37 -23.126 -7.328 -1.079 1.00 0.00 C ATOM 542 O ARG A 37 -22.187 -7.909 -1.591 1.00 0.00 O ATOM 543 CB ARG A 37 -24.588 -6.433 -2.922 1.00 0.00 C ATOM 544 CG ARG A 37 -25.210 -5.164 -3.512 1.00 0.00 C ATOM 545 CD ARG A 37 -26.512 -5.519 -4.236 1.00 0.00 C ATOM 546 NE ARG A 37 -27.320 -4.265 -4.220 1.00 0.00 N ATOM 547 CZ ARG A 37 -27.041 -3.293 -5.049 1.00 0.00 C ATOM 548 NH1 ARG A 37 -27.584 -3.277 -6.238 1.00 0.00 N ATOM 549 NH2 ARG A 37 -26.220 -2.341 -4.690 1.00 0.00 N ATOM 0 H ARG A 37 -22.196 -5.542 -3.118 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.298 -5.560 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -23.986 -6.939 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.372 -7.128 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -25.408 -4.442 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -24.513 -4.694 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.318 -5.850 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -27.035 -6.331 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 37 -28.092 -4.166 -3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.223 -4.021 -6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -27.368 -2.520 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -25.796 -2.356 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -26.003 -1.583 -5.338 1.00 0.00 H new ATOM 563 N GLY A 38 -23.666 -7.749 0.036 1.00 0.00 N ATOM 564 CA GLY A 38 -23.138 -8.970 0.718 1.00 0.00 C ATOM 565 C GLY A 38 -22.005 -8.602 1.692 1.00 0.00 C ATOM 566 O GLY A 38 -21.443 -9.466 2.339 1.00 0.00 O ATOM 0 H GLY A 38 -24.452 -7.299 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.943 -9.467 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.770 -9.677 -0.025 1.00 0.00 H new ATOM 570 N ILE A 39 -21.667 -7.336 1.812 1.00 0.00 N ATOM 571 CA ILE A 39 -20.577 -6.934 2.753 1.00 0.00 C ATOM 572 C ILE A 39 -21.141 -6.041 3.862 1.00 0.00 C ATOM 573 O ILE A 39 -22.189 -5.439 3.719 1.00 0.00 O ATOM 574 CB ILE A 39 -19.539 -6.176 1.909 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.145 -4.873 1.368 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.088 -7.057 0.738 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.100 -4.127 0.533 1.00 0.00 C ATOM 0 H ILE A 39 -22.100 -6.568 1.299 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.125 -7.798 3.239 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.681 -5.934 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.022 -5.093 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.480 -4.246 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.352 -6.519 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.642 -7.974 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -19.949 -7.305 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.533 -3.203 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.236 -3.893 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.786 -4.754 -0.302 1.00 0.00 H new ATOM 589 N SER A 40 -20.451 -5.963 4.966 1.00 0.00 N ATOM 590 CA SER A 40 -20.930 -5.125 6.102 1.00 0.00 C ATOM 591 C SER A 40 -20.597 -3.652 5.863 1.00 0.00 C ATOM 592 O SER A 40 -19.785 -3.320 5.019 1.00 0.00 O ATOM 593 CB SER A 40 -20.173 -5.641 7.329 1.00 0.00 C ATOM 594 OG SER A 40 -20.193 -7.063 7.336 1.00 0.00 O ATOM 0 H SER A 40 -19.569 -6.448 5.131 1.00 0.00 H new ATOM 0 HA SER A 40 -22.011 -5.192 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.144 -5.281 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.631 -5.256 8.240 1.00 0.00 H new ATOM 0 HG SER A 40 -19.707 -7.393 8.120 1.00 0.00 H new ATOM 600 N PHE A 41 -21.208 -2.768 6.614 1.00 0.00 N ATOM 601 CA PHE A 41 -20.918 -1.311 6.452 1.00 0.00 C ATOM 602 C PHE A 41 -19.421 -1.066 6.667 1.00 0.00 C ATOM 603 O PHE A 41 -18.769 -0.423 5.868 1.00 0.00 O ATOM 604 CB PHE A 41 -21.745 -0.613 7.538 1.00 0.00 C ATOM 605 CG PHE A 41 -21.611 0.886 7.398 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.244 1.551 6.342 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.854 1.611 8.327 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.121 2.940 6.214 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.730 2.999 8.199 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.364 3.663 7.144 1.00 0.00 C ATOM 0 H PHE A 41 -21.896 -2.994 7.333 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.171 -0.938 5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.792 -0.903 7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.406 -0.927 8.525 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.828 0.993 5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.366 1.099 9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.609 3.453 5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.145 3.557 8.915 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.270 4.734 7.046 1.00 0.00 H new ATOM 620 N SER A 42 -18.873 -1.597 7.735 1.00 0.00 N ATOM 621 CA SER A 42 -17.412 -1.420 8.005 1.00 0.00 C ATOM 622 C SER A 42 -16.595 -2.044 6.868 1.00 0.00 C ATOM 623 O SER A 42 -15.581 -1.511 6.461 1.00 0.00 O ATOM 624 CB SER A 42 -17.147 -2.152 9.323 1.00 0.00 C ATOM 625 OG SER A 42 -15.998 -1.595 9.950 1.00 0.00 O ATOM 0 H SER A 42 -19.376 -2.146 8.432 1.00 0.00 H new ATOM 0 HA SER A 42 -17.129 -0.369 8.069 1.00 0.00 H new ATOM 0 HB2 SER A 42 -18.012 -2.065 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.994 -3.215 9.137 1.00 0.00 H new ATOM 0 HG SER A 42 -15.828 -2.061 10.795 1.00 0.00 H new ATOM 631 N GLN A 43 -17.040 -3.159 6.341 1.00 0.00 N ATOM 632 CA GLN A 43 -16.300 -3.807 5.216 1.00 0.00 C ATOM 633 C GLN A 43 -16.332 -2.892 3.986 1.00 0.00 C ATOM 634 O GLN A 43 -15.328 -2.687 3.328 1.00 0.00 O ATOM 635 CB GLN A 43 -17.052 -5.112 4.938 1.00 0.00 C ATOM 636 CG GLN A 43 -16.064 -6.197 4.505 1.00 0.00 C ATOM 637 CD GLN A 43 -16.651 -7.577 4.813 1.00 0.00 C ATOM 638 OE1 GLN A 43 -17.801 -7.841 4.518 1.00 0.00 O ATOM 639 NE2 GLN A 43 -15.908 -8.477 5.399 1.00 0.00 N ATOM 0 H GLN A 43 -17.883 -3.647 6.642 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.253 -3.992 5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.588 -5.431 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.797 -4.954 4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.855 -6.109 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.116 -6.069 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.943 -8.259 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -16.293 -9.398 5.608 1.00 0.00 H new ATOM 648 N ALA A 44 -17.478 -2.325 3.690 1.00 0.00 N ATOM 649 CA ALA A 44 -17.586 -1.404 2.518 1.00 0.00 C ATOM 650 C ALA A 44 -16.811 -0.112 2.804 1.00 0.00 C ATOM 651 O ALA A 44 -16.167 0.443 1.932 1.00 0.00 O ATOM 652 CB ALA A 44 -19.084 -1.120 2.369 1.00 0.00 C ATOM 0 H ALA A 44 -18.344 -2.462 4.212 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.169 -1.833 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.245 -0.448 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.616 -2.055 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.458 -0.654 3.281 1.00 0.00 H new ATOM 658 N ARG A 45 -16.856 0.353 4.030 1.00 0.00 N ATOM 659 CA ARG A 45 -16.113 1.594 4.400 1.00 0.00 C ATOM 660 C ARG A 45 -14.601 1.331 4.341 1.00 0.00 C ATOM 661 O ARG A 45 -13.828 2.184 3.945 1.00 0.00 O ATOM 662 CB ARG A 45 -16.548 1.908 5.836 1.00 0.00 C ATOM 663 CG ARG A 45 -16.373 3.403 6.112 1.00 0.00 C ATOM 664 CD ARG A 45 -17.736 4.032 6.424 1.00 0.00 C ATOM 665 NE ARG A 45 -17.710 5.367 5.760 1.00 0.00 N ATOM 666 CZ ARG A 45 -17.113 6.377 6.338 1.00 0.00 C ATOM 667 NH1 ARG A 45 -17.780 7.145 7.161 1.00 0.00 N ATOM 668 NH2 ARG A 45 -15.852 6.617 6.092 1.00 0.00 N ATOM 0 H ARG A 45 -17.379 -0.078 4.792 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.324 2.423 3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.589 1.621 5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.955 1.326 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.693 3.551 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.925 3.893 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.551 3.417 6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.888 4.129 7.499 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.159 5.493 4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.764 6.956 7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.316 7.933 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.334 6.017 5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.385 7.404 6.542 1.00 0.00 H new ATOM 682 N SER A 46 -14.184 0.148 4.733 1.00 0.00 N ATOM 683 CA SER A 46 -12.730 -0.197 4.710 1.00 0.00 C ATOM 684 C SER A 46 -12.191 -0.205 3.274 1.00 0.00 C ATOM 685 O SER A 46 -11.104 0.276 3.017 1.00 0.00 O ATOM 686 CB SER A 46 -12.645 -1.598 5.323 1.00 0.00 C ATOM 687 OG SER A 46 -11.292 -1.893 5.645 1.00 0.00 O ATOM 0 H SER A 46 -14.795 -0.596 5.070 1.00 0.00 H new ATOM 0 HA SER A 46 -12.133 0.530 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.263 -1.653 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.033 -2.337 4.622 1.00 0.00 H new ATOM 0 HG SER A 46 -11.237 -2.789 6.039 1.00 0.00 H new ATOM 693 N CYS A 47 -12.932 -0.752 2.334 1.00 0.00 N ATOM 694 CA CYS A 47 -12.435 -0.787 0.922 1.00 0.00 C ATOM 695 C CYS A 47 -12.428 0.614 0.303 1.00 0.00 C ATOM 696 O CYS A 47 -11.561 0.935 -0.483 1.00 0.00 O ATOM 697 CB CYS A 47 -13.390 -1.698 0.150 1.00 0.00 C ATOM 698 SG CYS A 47 -12.774 -1.876 -1.542 1.00 0.00 S ATOM 0 H CYS A 47 -13.850 -1.171 2.484 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.410 -1.156 0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.457 -2.673 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.395 -1.276 0.145 1.00 0.00 H new ATOM 703 N CYS A 48 -13.378 1.451 0.643 1.00 0.00 N ATOM 704 CA CYS A 48 -13.398 2.830 0.058 1.00 0.00 C ATOM 705 C CYS A 48 -12.090 3.562 0.382 1.00 0.00 C ATOM 706 O CYS A 48 -11.539 4.259 -0.448 1.00 0.00 O ATOM 707 CB CYS A 48 -14.582 3.539 0.711 1.00 0.00 C ATOM 708 SG CYS A 48 -14.679 5.243 0.103 1.00 0.00 S ATOM 0 H CYS A 48 -14.135 1.242 1.294 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.494 2.808 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.507 3.008 0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.469 3.535 1.795 1.00 0.00 H new ATOM 713 N SER A 49 -11.592 3.405 1.583 1.00 0.00 N ATOM 714 CA SER A 49 -10.321 4.090 1.967 1.00 0.00 C ATOM 715 C SER A 49 -9.093 3.280 1.520 1.00 0.00 C ATOM 716 O SER A 49 -7.986 3.783 1.516 1.00 0.00 O ATOM 717 CB SER A 49 -10.368 4.189 3.494 1.00 0.00 C ATOM 718 OG SER A 49 -10.059 5.519 3.889 1.00 0.00 O ATOM 0 H SER A 49 -12.012 2.831 2.314 1.00 0.00 H new ATOM 0 HA SER A 49 -10.233 5.066 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.357 3.910 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.657 3.492 3.937 1.00 0.00 H new ATOM 0 HG SER A 49 -10.090 5.586 4.866 1.00 0.00 H new ATOM 724 N ARG A 50 -9.272 2.034 1.154 1.00 0.00 N ATOM 725 CA ARG A 50 -8.107 1.202 0.721 1.00 0.00 C ATOM 726 C ARG A 50 -8.045 1.086 -0.812 1.00 0.00 C ATOM 727 O ARG A 50 -6.976 0.956 -1.381 1.00 0.00 O ATOM 728 CB ARG A 50 -8.354 -0.172 1.355 1.00 0.00 C ATOM 729 CG ARG A 50 -7.217 -1.132 0.984 1.00 0.00 C ATOM 730 CD ARG A 50 -5.969 -0.801 1.810 1.00 0.00 C ATOM 731 NE ARG A 50 -4.823 -1.009 0.878 1.00 0.00 N ATOM 732 CZ ARG A 50 -3.975 -0.040 0.656 1.00 0.00 C ATOM 733 NH1 ARG A 50 -4.322 0.967 -0.103 1.00 0.00 N ATOM 734 NH2 ARG A 50 -2.784 -0.080 1.194 1.00 0.00 N ATOM 0 H ARG A 50 -10.174 1.558 1.137 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.158 1.640 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.420 -0.075 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.307 -0.574 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.523 -2.162 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.993 -1.051 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.999 0.225 2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.890 -1.449 2.683 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.701 -1.909 0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.253 0.995 -0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.662 1.725 -0.278 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.518 -0.867 1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.121 0.676 1.022 1.00 0.00 H new ATOM 748 N LEU A 51 -9.173 1.113 -1.482 1.00 0.00 N ATOM 749 CA LEU A 51 -9.167 0.981 -2.975 1.00 0.00 C ATOM 750 C LEU A 51 -10.078 2.018 -3.657 1.00 0.00 C ATOM 751 O LEU A 51 -10.163 2.058 -4.871 1.00 0.00 O ATOM 752 CB LEU A 51 -9.695 -0.434 -3.238 1.00 0.00 C ATOM 753 CG LEU A 51 -8.528 -1.424 -3.275 1.00 0.00 C ATOM 754 CD1 LEU A 51 -9.000 -2.789 -2.766 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.021 -1.567 -4.713 1.00 0.00 C ATOM 0 H LEU A 51 -10.096 1.220 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.170 1.152 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.401 -0.719 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.236 -0.460 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.722 -1.056 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.169 -3.494 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.360 -2.691 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.807 -3.155 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.190 -2.272 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.827 -1.934 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.684 -0.597 -5.078 1.00 0.00 H new ATOM 767 N GLY A 52 -10.762 2.849 -2.906 1.00 0.00 N ATOM 768 CA GLY A 52 -11.662 3.863 -3.540 1.00 0.00 C ATOM 769 C GLY A 52 -12.956 3.191 -4.031 1.00 0.00 C ATOM 770 O GLY A 52 -13.624 3.696 -4.914 1.00 0.00 O ATOM 0 H GLY A 52 -10.736 2.869 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.901 4.648 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.152 4.341 -4.376 1.00 0.00 H new ATOM 774 N ARG A 53 -13.317 2.058 -3.471 1.00 0.00 N ATOM 775 CA ARG A 53 -14.566 1.360 -3.911 1.00 0.00 C ATOM 776 C ARG A 53 -15.606 1.360 -2.786 1.00 0.00 C ATOM 777 O ARG A 53 -15.269 1.407 -1.620 1.00 0.00 O ATOM 778 CB ARG A 53 -14.137 -0.072 -4.239 1.00 0.00 C ATOM 779 CG ARG A 53 -13.719 -0.164 -5.710 1.00 0.00 C ATOM 780 CD ARG A 53 -14.918 0.154 -6.613 1.00 0.00 C ATOM 781 NE ARG A 53 -14.584 1.457 -7.263 1.00 0.00 N ATOM 782 CZ ARG A 53 -15.535 2.301 -7.569 1.00 0.00 C ATOM 783 NH1 ARG A 53 -16.340 2.042 -8.570 1.00 0.00 N ATOM 784 NH2 ARG A 53 -15.677 3.404 -6.880 1.00 0.00 N ATOM 0 H ARG A 53 -12.799 1.588 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.025 1.854 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.308 -0.369 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.957 -0.762 -4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.906 0.534 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.343 -1.163 -5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.070 -0.629 -7.356 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.839 0.227 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.612 1.689 -7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.224 1.184 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.082 2.699 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.046 3.606 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.419 4.062 -7.119 1.00 0.00 H new ATOM 798 N CYS A 54 -16.869 1.322 -3.140 1.00 0.00 N ATOM 799 CA CYS A 54 -17.962 1.339 -2.114 1.00 0.00 C ATOM 800 C CYS A 54 -17.846 2.622 -1.296 1.00 0.00 C ATOM 801 O CYS A 54 -17.761 2.605 -0.082 1.00 0.00 O ATOM 802 CB CYS A 54 -17.750 0.093 -1.240 1.00 0.00 C ATOM 803 SG CYS A 54 -18.360 -1.372 -2.115 1.00 0.00 S ATOM 0 H CYS A 54 -17.193 1.279 -4.106 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.957 1.319 -2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.692 -0.024 -1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.275 0.208 -0.292 1.00 0.00 H new ATOM 808 N CYS A 55 -17.815 3.736 -1.975 1.00 0.00 N ATOM 809 CA CYS A 55 -17.673 5.046 -1.288 1.00 0.00 C ATOM 810 C CYS A 55 -19.007 5.813 -1.256 1.00 0.00 C ATOM 811 O CYS A 55 -19.046 6.973 -0.890 1.00 0.00 O ATOM 812 CB CYS A 55 -16.639 5.788 -2.134 1.00 0.00 C ATOM 813 SG CYS A 55 -15.006 5.049 -1.880 1.00 0.00 S ATOM 0 H CYS A 55 -17.883 3.792 -2.991 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.374 4.939 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.912 5.738 -3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.619 6.843 -1.860 1.00 0.00 H new ATOM 818 N HIS A 56 -20.096 5.182 -1.633 1.00 0.00 N ATOM 819 CA HIS A 56 -21.412 5.881 -1.620 1.00 0.00 C ATOM 820 C HIS A 56 -22.541 4.899 -1.260 1.00 0.00 C ATOM 821 O HIS A 56 -23.578 4.872 -1.897 1.00 0.00 O ATOM 822 CB HIS A 56 -21.580 6.404 -3.048 1.00 0.00 C ATOM 823 CG HIS A 56 -22.452 7.629 -3.039 1.00 0.00 C ATOM 824 ND1 HIS A 56 -23.806 7.570 -2.749 1.00 0.00 N ATOM 825 CD2 HIS A 56 -22.178 8.952 -3.281 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.291 8.822 -2.822 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.341 9.703 -3.143 1.00 0.00 N ATOM 0 H HIS A 56 -20.125 4.212 -1.948 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.454 6.680 -0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.606 6.642 -3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.025 5.634 -3.678 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -24.338 6.730 -2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -21.208 9.349 -3.539 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -25.324 9.083 -2.643 1.00 0.00 H new ATOM 835 N VAL A 57 -22.347 4.092 -0.244 1.00 0.00 N ATOM 836 CA VAL A 57 -23.409 3.115 0.152 1.00 0.00 C ATOM 837 C VAL A 57 -24.101 3.573 1.444 1.00 0.00 C ATOM 838 O VAL A 57 -23.460 3.830 2.447 1.00 0.00 O ATOM 839 CB VAL A 57 -22.674 1.787 0.361 1.00 0.00 C ATOM 840 CG1 VAL A 57 -23.638 0.742 0.933 1.00 0.00 C ATOM 841 CG2 VAL A 57 -22.133 1.292 -0.983 1.00 0.00 C ATOM 0 H VAL A 57 -21.502 4.068 0.326 1.00 0.00 H new ATOM 0 HA VAL A 57 -24.191 3.026 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.851 1.938 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.109 -0.200 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.028 1.091 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.464 0.590 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.609 0.347 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.961 1.146 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -21.443 2.030 -1.392 1.00 0.00 H new ATOM 851 N GLY A 58 -25.408 3.675 1.421 1.00 0.00 N ATOM 852 CA GLY A 58 -26.155 4.115 2.637 1.00 0.00 C ATOM 853 C GLY A 58 -26.336 5.636 2.614 1.00 0.00 C ATOM 854 O GLY A 58 -25.594 6.349 1.961 1.00 0.00 O ATOM 0 H GLY A 58 -25.990 3.471 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -27.128 3.625 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.613 3.818 3.535 1.00 0.00 H new ATOM 858 N LYS A 59 -27.319 6.137 3.324 1.00 0.00 N ATOM 859 CA LYS A 59 -27.561 7.615 3.353 1.00 0.00 C ATOM 860 C LYS A 59 -28.534 7.978 4.486 1.00 0.00 C ATOM 861 O LYS A 59 -29.533 7.315 4.695 1.00 0.00 O ATOM 862 CB LYS A 59 -28.171 7.961 1.985 1.00 0.00 C ATOM 863 CG LYS A 59 -29.422 7.110 1.729 1.00 0.00 C ATOM 864 CD LYS A 59 -29.185 6.198 0.521 1.00 0.00 C ATOM 865 CE LYS A 59 -30.310 5.159 0.432 1.00 0.00 C ATOM 866 NZ LYS A 59 -29.785 3.947 1.127 1.00 0.00 N ATOM 0 H LYS A 59 -27.966 5.584 3.886 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.642 8.171 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -28.430 9.019 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.437 7.787 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -29.653 6.511 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -30.282 7.755 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -29.150 6.790 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -28.221 5.698 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -31.220 5.523 0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.561 4.939 -0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -30.503 3.195 1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -28.923 3.617 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -29.562 4.183 2.115 1.00 0.00 H new ATOM 880 N GLY A 60 -28.247 9.030 5.215 1.00 0.00 N ATOM 881 CA GLY A 60 -29.151 9.445 6.333 1.00 0.00 C ATOM 882 C GLY A 60 -29.008 8.472 7.509 1.00 0.00 C ATOM 883 O GLY A 60 -28.155 7.604 7.509 1.00 0.00 O ATOM 0 H GLY A 60 -27.425 9.619 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -28.905 10.457 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -30.185 9.463 5.988 1.00 0.00 H new ATOM 887 N TYR A 61 -29.839 8.612 8.513 1.00 0.00 N ATOM 888 CA TYR A 61 -29.754 7.692 9.688 1.00 0.00 C ATOM 889 C TYR A 61 -30.205 6.286 9.288 1.00 0.00 C ATOM 890 O TYR A 61 -31.144 6.113 8.532 1.00 0.00 O ATOM 891 CB TYR A 61 -30.696 8.284 10.738 1.00 0.00 C ATOM 892 CG TYR A 61 -30.543 7.533 12.041 1.00 0.00 C ATOM 893 CD1 TYR A 61 -31.339 6.411 12.301 1.00 0.00 C ATOM 894 CD2 TYR A 61 -29.603 7.958 12.988 1.00 0.00 C ATOM 895 CE1 TYR A 61 -31.196 5.714 13.506 1.00 0.00 C ATOM 896 CE2 TYR A 61 -29.461 7.262 14.194 1.00 0.00 C ATOM 897 CZ TYR A 61 -30.256 6.140 14.452 1.00 0.00 C ATOM 898 OH TYR A 61 -30.116 5.455 15.640 1.00 0.00 O ATOM 0 H TYR A 61 -30.570 9.321 8.569 1.00 0.00 H new ATOM 0 HA TYR A 61 -28.736 7.604 10.068 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -30.472 9.340 10.887 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -31.727 8.223 10.391 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -32.064 6.083 11.571 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -28.988 8.823 12.788 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -31.810 4.848 13.706 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -28.738 7.591 14.925 1.00 0.00 H new ATOM 0 HH TYR A 61 -29.420 5.881 16.183 1.00 0.00 H new ATOM 908 N SER A 62 -29.538 5.282 9.790 1.00 0.00 N ATOM 909 CA SER A 62 -29.909 3.874 9.449 1.00 0.00 C ATOM 910 C SER A 62 -29.315 2.896 10.470 1.00 0.00 C ATOM 911 O SER A 62 -28.459 3.252 11.260 1.00 0.00 O ATOM 912 CB SER A 62 -29.319 3.620 8.056 1.00 0.00 C ATOM 913 OG SER A 62 -28.043 4.247 7.947 1.00 0.00 O ATOM 0 H SER A 62 -28.746 5.375 10.426 1.00 0.00 H new ATOM 0 HA SER A 62 -30.989 3.728 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 62 -29.223 2.548 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 62 -29.991 4.008 7.291 1.00 0.00 H new ATOM 0 HG SER A 62 -27.671 4.080 7.056 1.00 0.00 H new ATOM 919 N GLY A 63 -29.765 1.667 10.453 1.00 0.00 N ATOM 920 CA GLY A 63 -29.236 0.655 11.413 1.00 0.00 C ATOM 921 C GLY A 63 -28.028 -0.053 10.796 1.00 0.00 C ATOM 922 O GLY A 63 -28.232 -1.038 10.106 1.00 0.00 O ATOM 923 OXT GLY A 63 -26.919 0.404 11.023 1.00 0.00 O ATOM 0 H GLY A 63 -30.479 1.321 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -28.949 1.139 12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -30.012 -0.071 11.656 1.00 0.00 H new TER 927 GLY A 63