USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=11 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 Set 1.1: A 40 SER OG : rot 180:sc= 0.0631 USER MOD Set 1.2: A 43 GLN : amide:sc= 0.0498 K(o=0.11,f=-1.2) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -115:sc= 0.0906 (180deg=-0.125) 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 150:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.69 K(o=0.69,f=0) USER MOD Single : A 35 SER OG : rot 140:sc= 0.696 USER MOD Single : A 42 SER OG : rot 180:sc= 0 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 HD1:sc= 0 X(o=0,f=0) 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 17.581 -23.278 14.274 1.00 0.00 N ATOM 2 CA GLN A 1 16.989 -22.916 15.599 1.00 0.00 C ATOM 3 C GLN A 1 17.134 -21.412 15.854 1.00 0.00 C ATOM 4 O GLN A 1 17.764 -20.700 15.094 1.00 0.00 O ATOM 5 CB GLN A 1 17.791 -23.711 16.634 1.00 0.00 C ATOM 6 CG GLN A 1 17.283 -25.155 16.685 1.00 0.00 C ATOM 7 CD GLN A 1 18.177 -25.980 17.615 1.00 0.00 C ATOM 8 OE1 GLN A 1 17.967 -26.005 18.810 1.00 0.00 O ATOM 9 NE2 GLN A 1 19.172 -26.659 17.114 1.00 0.00 N ATOM 0 H1 GLN A 1 16.830 -23.617 13.639 1.00 0.00 H new ATOM 0 H2 GLN A 1 18.036 -22.441 13.857 1.00 0.00 H new ATOM 0 H3 GLN A 1 18.289 -24.028 14.404 1.00 0.00 H new ATOM 0 HA GLN A 1 15.925 -23.147 15.645 1.00 0.00 H new ATOM 0 HB2 GLN A 1 18.850 -23.697 16.376 1.00 0.00 H new ATOM 0 HB3 GLN A 1 17.696 -23.247 17.616 1.00 0.00 H new ATOM 0 HG2 GLN A 1 16.253 -25.177 17.040 1.00 0.00 H new ATOM 0 HG3 GLN A 1 17.284 -25.587 15.684 1.00 0.00 H new ATOM 0 HE21 GLN A 1 19.349 -26.638 16.110 1.00 0.00 H new ATOM 0 HE22 GLN A 1 19.773 -27.210 17.727 1.00 0.00 H new ATOM 20 N VAL A 2 16.553 -20.928 16.922 1.00 0.00 N ATOM 21 CA VAL A 2 16.647 -19.473 17.243 1.00 0.00 C ATOM 22 C VAL A 2 17.277 -19.281 18.628 1.00 0.00 C ATOM 23 O VAL A 2 16.719 -19.679 19.634 1.00 0.00 O ATOM 24 CB VAL A 2 15.200 -18.961 17.226 1.00 0.00 C ATOM 25 CG1 VAL A 2 15.175 -17.472 17.582 1.00 0.00 C ATOM 26 CG2 VAL A 2 14.601 -19.155 15.829 1.00 0.00 C ATOM 0 H VAL A 2 16.015 -21.482 17.589 1.00 0.00 H new ATOM 0 HA VAL A 2 17.271 -18.932 16.532 1.00 0.00 H new ATOM 0 HB VAL A 2 14.615 -19.521 17.956 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.146 -17.112 17.569 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.597 -17.329 18.577 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.764 -16.914 16.854 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.574 -18.791 15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.190 -18.598 15.100 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.613 -20.214 15.572 1.00 0.00 H new ATOM 36 N TYR A 3 18.436 -18.674 18.685 1.00 0.00 N ATOM 37 CA TYR A 3 19.106 -18.453 20.003 1.00 0.00 C ATOM 38 C TYR A 3 18.505 -17.230 20.707 1.00 0.00 C ATOM 39 O TYR A 3 18.159 -16.248 20.076 1.00 0.00 O ATOM 40 CB TYR A 3 20.582 -18.214 19.667 1.00 0.00 C ATOM 41 CG TYR A 3 21.387 -18.144 20.943 1.00 0.00 C ATOM 42 CD1 TYR A 3 21.725 -19.319 21.626 1.00 0.00 C ATOM 43 CD2 TYR A 3 21.792 -16.902 21.446 1.00 0.00 C ATOM 44 CE1 TYR A 3 22.468 -19.252 22.809 1.00 0.00 C ATOM 45 CE2 TYR A 3 22.536 -16.835 22.630 1.00 0.00 C ATOM 46 CZ TYR A 3 22.874 -18.009 23.312 1.00 0.00 C ATOM 47 OH TYR A 3 23.606 -17.942 24.478 1.00 0.00 O ATOM 0 H TYR A 3 18.947 -18.322 17.876 1.00 0.00 H new ATOM 0 HA TYR A 3 18.977 -19.299 20.678 1.00 0.00 H new ATOM 0 HB2 TYR A 3 20.956 -19.018 19.033 1.00 0.00 H new ATOM 0 HB3 TYR A 3 20.692 -17.287 19.104 1.00 0.00 H new ATOM 0 HD1 TYR A 3 21.412 -20.277 21.239 1.00 0.00 H new ATOM 0 HD2 TYR A 3 21.530 -15.995 20.921 1.00 0.00 H new ATOM 0 HE1 TYR A 3 22.729 -20.159 23.335 1.00 0.00 H new ATOM 0 HE2 TYR A 3 22.849 -15.877 23.017 1.00 0.00 H new ATOM 0 HH TYR A 3 23.806 -17.005 24.685 1.00 0.00 H new ATOM 57 N LYS A 4 18.381 -17.287 22.010 1.00 0.00 N ATOM 58 CA LYS A 4 17.801 -16.130 22.766 1.00 0.00 C ATOM 59 C LYS A 4 18.844 -15.012 22.928 1.00 0.00 C ATOM 60 O LYS A 4 19.980 -15.257 23.291 1.00 0.00 O ATOM 61 CB LYS A 4 17.384 -16.697 24.133 1.00 0.00 C ATOM 62 CG LYS A 4 18.590 -17.334 24.841 1.00 0.00 C ATOM 63 CD LYS A 4 18.818 -16.649 26.191 1.00 0.00 C ATOM 64 CE LYS A 4 18.307 -17.554 27.317 1.00 0.00 C ATOM 65 NZ LYS A 4 18.486 -16.760 28.566 1.00 0.00 N ATOM 0 H LYS A 4 18.656 -18.084 22.584 1.00 0.00 H new ATOM 0 HA LYS A 4 16.953 -15.688 22.243 1.00 0.00 H new ATOM 0 HB2 LYS A 4 16.970 -15.902 24.752 1.00 0.00 H new ATOM 0 HB3 LYS A 4 16.598 -17.440 24.001 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.416 -18.400 24.988 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.480 -17.239 24.219 1.00 0.00 H new ATOM 0 HD2 LYS A 4 19.879 -16.441 26.331 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.299 -15.691 26.217 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.261 -17.819 27.165 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.869 -18.487 27.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.157 -17.316 29.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.492 -16.528 28.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.934 -15.881 28.501 1.00 0.00 H new ATOM 79 N GLY A 5 18.463 -13.788 22.656 1.00 0.00 N ATOM 80 CA GLY A 5 19.421 -12.649 22.784 1.00 0.00 C ATOM 81 C GLY A 5 19.203 -11.928 24.119 1.00 0.00 C ATOM 82 O GLY A 5 20.114 -11.793 24.913 1.00 0.00 O ATOM 0 H GLY A 5 17.525 -13.529 22.350 1.00 0.00 H new ATOM 0 HA2 GLY A 5 20.445 -13.016 22.723 1.00 0.00 H new ATOM 0 HA3 GLY A 5 19.282 -11.952 21.958 1.00 0.00 H new ATOM 86 N GLY A 6 18.004 -11.461 24.368 1.00 0.00 N ATOM 87 CA GLY A 6 17.726 -10.746 25.650 1.00 0.00 C ATOM 88 C GLY A 6 16.264 -10.294 25.682 1.00 0.00 C ATOM 89 O GLY A 6 15.494 -10.739 26.509 1.00 0.00 O ATOM 0 H GLY A 6 17.206 -11.545 23.738 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.932 -11.402 26.496 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.386 -9.884 25.747 1.00 0.00 H new ATOM 93 N TYR A 7 15.886 -9.411 24.779 1.00 0.00 N ATOM 94 CA TYR A 7 14.474 -8.901 24.720 1.00 0.00 C ATOM 95 C TYR A 7 14.109 -8.140 26.004 1.00 0.00 C ATOM 96 O TYR A 7 13.852 -8.727 27.040 1.00 0.00 O ATOM 97 CB TYR A 7 13.585 -10.141 24.545 1.00 0.00 C ATOM 98 CG TYR A 7 12.152 -9.708 24.355 1.00 0.00 C ATOM 99 CD1 TYR A 7 11.692 -9.345 23.083 1.00 0.00 C ATOM 100 CD2 TYR A 7 11.284 -9.661 25.453 1.00 0.00 C ATOM 101 CE1 TYR A 7 10.364 -8.939 22.910 1.00 0.00 C ATOM 102 CE2 TYR A 7 9.958 -9.254 25.279 1.00 0.00 C ATOM 103 CZ TYR A 7 9.498 -8.892 24.008 1.00 0.00 C ATOM 104 OH TYR A 7 8.191 -8.489 23.838 1.00 0.00 O ATOM 0 H TYR A 7 16.507 -9.018 24.071 1.00 0.00 H new ATOM 0 HA TYR A 7 14.341 -8.197 23.898 1.00 0.00 H new ATOM 0 HB2 TYR A 7 13.918 -10.722 23.685 1.00 0.00 H new ATOM 0 HB3 TYR A 7 13.668 -10.788 25.418 1.00 0.00 H new ATOM 0 HD1 TYR A 7 12.362 -9.378 22.236 1.00 0.00 H new ATOM 0 HD2 TYR A 7 11.639 -9.939 26.434 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.008 -8.662 21.929 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.288 -9.219 26.126 1.00 0.00 H new ATOM 0 HH TYR A 7 7.622 -8.936 24.499 1.00 0.00 H new ATOM 114 N ALA A 8 14.071 -6.831 25.936 1.00 0.00 N ATOM 115 CA ALA A 8 13.714 -6.023 27.140 1.00 0.00 C ATOM 116 C ALA A 8 12.189 -5.950 27.296 1.00 0.00 C ATOM 117 O ALA A 8 11.452 -6.621 26.597 1.00 0.00 O ATOM 118 CB ALA A 8 14.299 -4.633 26.874 1.00 0.00 C ATOM 0 H ALA A 8 14.272 -6.288 25.096 1.00 0.00 H new ATOM 0 HA ALA A 8 14.104 -6.457 28.060 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.078 -3.978 27.717 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.379 -4.711 26.748 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.857 -4.220 25.967 1.00 0.00 H new ATOM 124 N ARG A 9 11.712 -5.140 28.208 1.00 0.00 N ATOM 125 CA ARG A 9 10.237 -5.018 28.414 1.00 0.00 C ATOM 126 C ARG A 9 9.600 -4.217 27.267 1.00 0.00 C ATOM 127 O ARG A 9 10.024 -3.114 26.978 1.00 0.00 O ATOM 128 CB ARG A 9 10.079 -4.273 29.745 1.00 0.00 C ATOM 129 CG ARG A 9 8.656 -4.461 30.278 1.00 0.00 C ATOM 130 CD ARG A 9 7.737 -3.392 29.676 1.00 0.00 C ATOM 131 NE ARG A 9 6.446 -3.527 30.411 1.00 0.00 N ATOM 132 CZ ARG A 9 5.648 -4.534 30.166 1.00 0.00 C ATOM 133 NH1 ARG A 9 5.193 -4.728 28.954 1.00 0.00 N ATOM 134 NH2 ARG A 9 5.305 -5.346 31.133 1.00 0.00 N ATOM 0 H ARG A 9 12.283 -4.557 28.820 1.00 0.00 H new ATOM 0 HA ARG A 9 9.744 -5.990 28.431 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.801 -4.648 30.470 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.288 -3.212 29.606 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.290 -5.455 30.023 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.651 -4.389 31.366 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.159 -2.395 29.801 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.599 -3.548 28.606 1.00 0.00 H new ATOM 0 HE ARG A 9 6.184 -2.830 31.108 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.461 -4.094 28.201 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.571 -5.513 28.762 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.660 -5.193 32.077 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.683 -6.131 30.943 1.00 0.00 H new ATOM 148 N PRO A 10 8.598 -4.802 26.650 1.00 0.00 N ATOM 149 CA PRO A 10 7.893 -4.129 25.524 1.00 0.00 C ATOM 150 C PRO A 10 7.005 -2.985 26.039 1.00 0.00 C ATOM 151 O PRO A 10 6.121 -3.191 26.852 1.00 0.00 O ATOM 152 CB PRO A 10 7.046 -5.244 24.915 1.00 0.00 C ATOM 153 CG PRO A 10 6.837 -6.226 26.024 1.00 0.00 C ATOM 154 CD PRO A 10 8.032 -6.128 26.937 1.00 0.00 C ATOM 0 HA PRO A 10 8.576 -3.675 24.806 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.096 -4.859 24.545 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.554 -5.707 24.069 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.919 -6.003 26.567 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.737 -7.237 25.629 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.742 -6.219 27.984 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.753 -6.921 26.736 1.00 0.00 H new ATOM 162 N ILE A 11 7.237 -1.783 25.571 1.00 0.00 N ATOM 163 CA ILE A 11 6.411 -0.622 26.031 1.00 0.00 C ATOM 164 C ILE A 11 5.112 -0.526 25.212 1.00 0.00 C ATOM 165 O ILE A 11 5.146 -0.506 23.995 1.00 0.00 O ATOM 166 CB ILE A 11 7.283 0.632 25.825 1.00 0.00 C ATOM 167 CG1 ILE A 11 7.685 0.771 24.348 1.00 0.00 C ATOM 168 CG2 ILE A 11 8.547 0.526 26.684 1.00 0.00 C ATOM 169 CD1 ILE A 11 7.080 2.054 23.769 1.00 0.00 C ATOM 0 H ILE A 11 7.962 -1.555 24.891 1.00 0.00 H new ATOM 0 HA ILE A 11 6.118 -0.730 27.075 1.00 0.00 H new ATOM 0 HB ILE A 11 6.707 1.509 26.120 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.771 0.796 24.257 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.337 -0.094 23.783 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.162 1.414 26.537 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.267 0.448 27.735 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.112 -0.359 26.392 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.366 2.151 22.722 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.994 2.011 23.846 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.449 2.914 24.327 1.00 0.00 H new ATOM 181 N PRO A 12 4.003 -0.472 25.913 1.00 0.00 N ATOM 182 CA PRO A 12 2.675 -0.374 25.244 1.00 0.00 C ATOM 183 C PRO A 12 2.459 1.041 24.676 1.00 0.00 C ATOM 184 O PRO A 12 1.559 1.755 25.082 1.00 0.00 O ATOM 185 CB PRO A 12 1.687 -0.673 26.369 1.00 0.00 C ATOM 186 CG PRO A 12 2.407 -0.307 27.630 1.00 0.00 C ATOM 187 CD PRO A 12 3.879 -0.503 27.376 1.00 0.00 C ATOM 0 HA PRO A 12 2.568 -1.054 24.399 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.772 -0.092 26.255 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.398 -1.724 26.371 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.199 0.727 27.906 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.073 -0.931 28.459 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.471 0.285 27.842 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.230 -1.450 27.785 1.00 0.00 H new ATOM 195 N ARG A 13 3.280 1.446 23.739 1.00 0.00 N ATOM 196 CA ARG A 13 3.135 2.806 23.138 1.00 0.00 C ATOM 197 C ARG A 13 3.929 2.886 21.824 1.00 0.00 C ATOM 198 O ARG A 13 4.966 3.521 21.761 1.00 0.00 O ATOM 199 CB ARG A 13 3.706 3.767 24.189 1.00 0.00 C ATOM 200 CG ARG A 13 2.862 5.043 24.229 1.00 0.00 C ATOM 201 CD ARG A 13 3.598 6.169 23.498 1.00 0.00 C ATOM 202 NE ARG A 13 2.526 7.095 23.032 1.00 0.00 N ATOM 203 CZ ARG A 13 2.625 7.677 21.868 1.00 0.00 C ATOM 204 NH1 ARG A 13 3.233 8.830 21.768 1.00 0.00 N ATOM 205 NH2 ARG A 13 2.118 7.107 20.807 1.00 0.00 N ATOM 0 H ARG A 13 4.048 0.890 23.363 1.00 0.00 H new ATOM 0 HA ARG A 13 2.101 3.049 22.894 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.709 3.290 25.169 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.741 4.011 23.950 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.893 4.865 23.762 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.670 5.332 25.262 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.298 6.678 24.161 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.177 5.782 22.659 1.00 0.00 H new ATOM 0 HE ARG A 13 1.715 7.274 23.624 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.628 9.272 22.598 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.312 9.288 20.860 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.645 6.207 20.888 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.195 7.562 19.897 1.00 0.00 H new ATOM 219 N PRO A 14 3.410 2.231 20.812 1.00 0.00 N ATOM 220 CA PRO A 14 4.078 2.224 19.485 1.00 0.00 C ATOM 221 C PRO A 14 3.904 3.578 18.777 1.00 0.00 C ATOM 222 O PRO A 14 2.982 4.318 19.071 1.00 0.00 O ATOM 223 CB PRO A 14 3.355 1.113 18.727 1.00 0.00 C ATOM 224 CG PRO A 14 2.012 1.002 19.376 1.00 0.00 C ATOM 225 CD PRO A 14 2.167 1.447 20.808 1.00 0.00 C ATOM 0 HA PRO A 14 5.154 2.060 19.551 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.261 1.355 17.668 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.902 0.172 18.791 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.282 1.624 18.857 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.647 -0.024 19.330 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.317 2.047 21.132 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.232 0.595 21.485 1.00 0.00 H new ATOM 233 N PRO A 15 4.805 3.855 17.862 1.00 0.00 N ATOM 234 CA PRO A 15 4.755 5.130 17.100 1.00 0.00 C ATOM 235 C PRO A 15 3.641 5.085 16.042 1.00 0.00 C ATOM 236 O PRO A 15 3.405 4.055 15.438 1.00 0.00 O ATOM 237 CB PRO A 15 6.127 5.204 16.436 1.00 0.00 C ATOM 238 CG PRO A 15 6.593 3.786 16.335 1.00 0.00 C ATOM 239 CD PRO A 15 5.944 3.019 17.459 1.00 0.00 C ATOM 0 HA PRO A 15 4.541 5.994 17.729 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.063 5.668 15.452 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.818 5.804 17.027 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.319 3.359 15.370 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.679 3.732 16.410 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.616 2.033 17.130 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.636 2.865 18.287 1.00 0.00 H new ATOM 247 N PRO A 16 2.992 6.212 15.850 1.00 0.00 N ATOM 248 CA PRO A 16 1.895 6.300 14.851 1.00 0.00 C ATOM 249 C PRO A 16 2.471 6.311 13.425 1.00 0.00 C ATOM 250 O PRO A 16 2.673 7.356 12.833 1.00 0.00 O ATOM 251 CB PRO A 16 1.213 7.626 15.182 1.00 0.00 C ATOM 252 CG PRO A 16 2.263 8.448 15.861 1.00 0.00 C ATOM 253 CD PRO A 16 3.214 7.493 16.537 1.00 0.00 C ATOM 0 HA PRO A 16 1.206 5.456 14.891 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.850 8.118 14.280 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.351 7.474 15.831 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.792 9.069 15.138 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.812 9.121 16.590 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.248 7.824 16.437 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.006 7.413 17.604 1.00 0.00 H new ATOM 261 N PHE A 17 2.740 5.152 12.877 1.00 0.00 N ATOM 262 CA PHE A 17 3.308 5.082 11.497 1.00 0.00 C ATOM 263 C PHE A 17 2.794 3.836 10.771 1.00 0.00 C ATOM 264 O PHE A 17 2.451 2.841 11.383 1.00 0.00 O ATOM 265 CB PHE A 17 4.823 5.003 11.695 1.00 0.00 C ATOM 266 CG PHE A 17 5.528 5.353 10.404 1.00 0.00 C ATOM 267 CD1 PHE A 17 5.554 6.679 9.954 1.00 0.00 C ATOM 268 CD2 PHE A 17 6.161 4.350 9.660 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.210 7.000 8.760 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.816 4.670 8.466 1.00 0.00 C ATOM 271 CZ PHE A 17 6.841 5.996 8.015 1.00 0.00 C ATOM 0 H PHE A 17 2.590 4.249 13.328 1.00 0.00 H new ATOM 0 HA PHE A 17 3.020 5.940 10.890 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.132 5.687 12.485 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.105 4.000 12.014 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.068 7.454 10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.144 3.328 10.008 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.230 8.023 8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.302 3.895 7.892 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.347 6.244 7.093 1.00 0.00 H new ATOM 281 N VAL A 18 2.745 3.889 9.466 1.00 0.00 N ATOM 282 CA VAL A 18 2.258 2.714 8.680 1.00 0.00 C ATOM 283 C VAL A 18 3.434 1.792 8.332 1.00 0.00 C ATOM 284 O VAL A 18 4.528 2.245 8.051 1.00 0.00 O ATOM 285 CB VAL A 18 1.635 3.302 7.407 1.00 0.00 C ATOM 286 CG1 VAL A 18 1.074 2.173 6.537 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.500 4.260 7.784 1.00 0.00 C ATOM 0 H VAL A 18 3.022 4.697 8.908 1.00 0.00 H new ATOM 0 HA VAL A 18 1.537 2.117 9.238 1.00 0.00 H new ATOM 0 HB VAL A 18 2.401 3.843 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.632 2.595 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.879 1.491 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.311 1.629 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.059 4.676 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.263 3.718 8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.895 5.068 8.400 1.00 0.00 H new ATOM 297 N ARG A 19 3.212 0.502 8.347 1.00 0.00 N ATOM 298 CA ARG A 19 4.311 -0.454 8.017 1.00 0.00 C ATOM 299 C ARG A 19 4.071 -1.086 6.639 1.00 0.00 C ATOM 300 O ARG A 19 3.060 -1.728 6.422 1.00 0.00 O ATOM 301 CB ARG A 19 4.258 -1.518 9.118 1.00 0.00 C ATOM 302 CG ARG A 19 5.543 -2.351 9.091 1.00 0.00 C ATOM 303 CD ARG A 19 6.691 -1.545 9.709 1.00 0.00 C ATOM 304 NE ARG A 19 7.934 -2.245 9.276 1.00 0.00 N ATOM 305 CZ ARG A 19 8.944 -2.351 10.098 1.00 0.00 C ATOM 306 NH1 ARG A 19 9.778 -1.354 10.239 1.00 0.00 N ATOM 307 NH2 ARG A 19 9.115 -3.454 10.779 1.00 0.00 N ATOM 0 H ARG A 19 2.316 0.070 8.574 1.00 0.00 H new ATOM 0 HA ARG A 19 5.284 0.035 7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.142 -1.042 10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.391 -2.163 8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.398 -3.279 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.789 -2.626 8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.679 -0.512 9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.613 -1.517 10.796 1.00 0.00 H new ATOM 0 HE ARG A 19 7.996 -2.641 8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.640 -0.494 9.708 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.567 -1.436 10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.461 -4.229 10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.903 -3.540 11.421 1.00 0.00 H new ATOM 321 N PRO A 20 5.016 -0.884 5.748 1.00 0.00 N ATOM 322 CA PRO A 20 4.906 -1.446 4.379 1.00 0.00 C ATOM 323 C PRO A 20 5.140 -2.962 4.399 1.00 0.00 C ATOM 324 O PRO A 20 5.518 -3.531 5.406 1.00 0.00 O ATOM 325 CB PRO A 20 6.015 -0.735 3.606 1.00 0.00 C ATOM 326 CG PRO A 20 7.015 -0.336 4.643 1.00 0.00 C ATOM 327 CD PRO A 20 6.259 -0.122 5.929 1.00 0.00 C ATOM 0 HA PRO A 20 3.922 -1.297 3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.461 -1.393 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.630 0.135 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.772 -1.110 4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.535 0.575 4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.825 -0.482 6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.057 0.935 6.101 1.00 0.00 H new ATOM 335 N LEU A 21 4.918 -3.611 3.288 1.00 0.00 N ATOM 336 CA LEU A 21 5.122 -5.091 3.220 1.00 0.00 C ATOM 337 C LEU A 21 5.897 -5.458 1.946 1.00 0.00 C ATOM 338 O LEU A 21 5.456 -5.161 0.851 1.00 0.00 O ATOM 339 CB LEU A 21 3.707 -5.683 3.183 1.00 0.00 C ATOM 340 CG LEU A 21 3.560 -6.779 4.248 1.00 0.00 C ATOM 341 CD1 LEU A 21 4.516 -7.935 3.941 1.00 0.00 C ATOM 342 CD2 LEU A 21 3.879 -6.203 5.632 1.00 0.00 C ATOM 0 H LEU A 21 4.603 -3.180 2.419 1.00 0.00 H new ATOM 0 HA LEU A 21 5.700 -5.471 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.972 -4.897 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.504 -6.097 2.195 1.00 0.00 H new ATOM 0 HG LEU A 21 2.535 -7.149 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.407 -8.709 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.281 -8.352 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.542 -7.568 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.773 -6.984 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.901 -5.825 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.189 -5.389 5.855 1.00 0.00 H new ATOM 354 N PRO A 22 7.031 -6.097 2.129 1.00 0.00 N ATOM 355 CA PRO A 22 7.870 -6.507 0.971 1.00 0.00 C ATOM 356 C PRO A 22 7.195 -7.646 0.195 1.00 0.00 C ATOM 357 O PRO A 22 6.994 -8.729 0.714 1.00 0.00 O ATOM 358 CB PRO A 22 9.174 -6.971 1.619 1.00 0.00 C ATOM 359 CG PRO A 22 8.795 -7.366 3.009 1.00 0.00 C ATOM 360 CD PRO A 22 7.633 -6.495 3.410 1.00 0.00 C ATOM 0 HA PRO A 22 8.026 -5.707 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.609 -7.810 1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.918 -6.174 1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.520 -8.420 3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.634 -7.229 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.923 -7.038 4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.962 -5.628 3.983 1.00 0.00 H new ATOM 368 N GLY A 23 6.839 -7.403 -1.042 1.00 0.00 N ATOM 369 CA GLY A 23 6.170 -8.459 -1.858 1.00 0.00 C ATOM 370 C GLY A 23 4.672 -8.161 -1.946 1.00 0.00 C ATOM 371 O GLY A 23 4.160 -7.823 -2.997 1.00 0.00 O ATOM 0 H GLY A 23 6.984 -6.515 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.605 -8.492 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.331 -9.439 -1.408 1.00 0.00 H new ATOM 375 N GLY A 24 3.966 -8.280 -0.848 1.00 0.00 N ATOM 376 CA GLY A 24 2.498 -8.002 -0.857 1.00 0.00 C ATOM 377 C GLY A 24 1.726 -9.287 -1.188 1.00 0.00 C ATOM 378 O GLY A 24 2.274 -10.208 -1.764 1.00 0.00 O ATOM 0 H GLY A 24 4.346 -8.559 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.185 -7.619 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.269 -7.230 -1.592 1.00 0.00 H new ATOM 382 N PRO A 25 0.468 -9.304 -0.811 1.00 0.00 N ATOM 383 CA PRO A 25 -0.393 -10.488 -1.072 1.00 0.00 C ATOM 384 C PRO A 25 -0.764 -10.568 -2.560 1.00 0.00 C ATOM 385 O PRO A 25 -0.964 -9.560 -3.215 1.00 0.00 O ATOM 386 CB PRO A 25 -1.630 -10.227 -0.216 1.00 0.00 C ATOM 387 CG PRO A 25 -1.681 -8.741 -0.045 1.00 0.00 C ATOM 388 CD PRO A 25 -0.263 -8.236 -0.112 1.00 0.00 C ATOM 0 HA PRO A 25 0.095 -11.433 -0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.532 -10.599 -0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.556 -10.732 0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.289 -8.285 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.138 -8.479 0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.202 -7.292 -0.653 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.145 -8.060 0.884 1.00 0.00 H new ATOM 396 N ILE A 26 -0.859 -11.762 -3.096 1.00 0.00 N ATOM 397 CA ILE A 26 -1.217 -11.912 -4.540 1.00 0.00 C ATOM 398 C ILE A 26 -2.688 -11.548 -4.760 1.00 0.00 C ATOM 399 O ILE A 26 -3.519 -11.713 -3.887 1.00 0.00 O ATOM 400 CB ILE A 26 -0.961 -13.388 -4.875 1.00 0.00 C ATOM 401 CG1 ILE A 26 0.550 -13.633 -4.998 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.641 -13.758 -6.198 1.00 0.00 C ATOM 403 CD1 ILE A 26 1.142 -12.740 -6.095 1.00 0.00 C ATOM 0 H ILE A 26 -0.704 -12.637 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.630 -11.252 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.372 -14.005 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.039 -13.425 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.738 -14.681 -5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.451 -14.807 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.715 -13.593 -6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.241 -13.137 -6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.214 -12.922 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.664 -12.969 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.969 -11.693 -5.845 1.00 0.00 H new ATOM 415 N GLY A 27 -3.005 -11.057 -5.929 1.00 0.00 N ATOM 416 CA GLY A 27 -4.416 -10.672 -6.241 1.00 0.00 C ATOM 417 C GLY A 27 -4.856 -9.516 -5.332 1.00 0.00 C ATOM 418 O GLY A 27 -5.615 -9.718 -4.403 1.00 0.00 O ATOM 0 H GLY A 27 -2.342 -10.904 -6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.498 -10.375 -7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.075 -11.528 -6.100 1.00 0.00 H new ATOM 422 N PRO A 28 -4.363 -8.336 -5.633 1.00 0.00 N ATOM 423 CA PRO A 28 -4.711 -7.135 -4.831 1.00 0.00 C ATOM 424 C PRO A 28 -6.127 -6.646 -5.175 1.00 0.00 C ATOM 425 O PRO A 28 -6.931 -6.389 -4.297 1.00 0.00 O ATOM 426 CB PRO A 28 -3.654 -6.112 -5.240 1.00 0.00 C ATOM 427 CG PRO A 28 -3.197 -6.531 -6.604 1.00 0.00 C ATOM 428 CD PRO A 28 -3.446 -8.015 -6.737 1.00 0.00 C ATOM 0 HA PRO A 28 -4.717 -7.322 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.069 -5.104 -5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.824 -6.102 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.739 -5.982 -7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.139 -6.307 -6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.888 -8.258 -7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.518 -8.582 -6.659 1.00 0.00 H new ATOM 436 N TYR A 29 -6.440 -6.526 -6.443 1.00 0.00 N ATOM 437 CA TYR A 29 -7.802 -6.068 -6.846 1.00 0.00 C ATOM 438 C TYR A 29 -8.761 -7.267 -6.868 1.00 0.00 C ATOM 439 O TYR A 29 -9.269 -7.655 -7.905 1.00 0.00 O ATOM 440 CB TYR A 29 -7.620 -5.472 -8.247 1.00 0.00 C ATOM 441 CG TYR A 29 -8.913 -4.842 -8.716 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.430 -3.719 -8.056 1.00 0.00 C ATOM 443 CD2 TYR A 29 -9.591 -5.380 -9.816 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.625 -3.138 -8.496 1.00 0.00 C ATOM 445 CE2 TYR A 29 -10.786 -4.798 -10.255 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.303 -3.678 -9.595 1.00 0.00 C ATOM 447 OH TYR A 29 -12.481 -3.104 -10.027 1.00 0.00 O ATOM 0 H TYR A 29 -5.807 -6.727 -7.217 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.227 -5.337 -6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.827 -4.725 -8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.312 -6.251 -8.945 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.907 -3.302 -7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.192 -6.244 -10.326 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.024 -2.273 -7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.309 -5.214 -11.104 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.822 -3.600 -10.801 1.00 0.00 H new ATOM 457 N ASN A 30 -9.001 -7.863 -5.727 1.00 0.00 N ATOM 458 CA ASN A 30 -9.915 -9.043 -5.666 1.00 0.00 C ATOM 459 C ASN A 30 -10.518 -9.188 -4.258 1.00 0.00 C ATOM 460 O ASN A 30 -10.635 -10.280 -3.733 1.00 0.00 O ATOM 461 CB ASN A 30 -9.024 -10.246 -6.003 1.00 0.00 C ATOM 462 CG ASN A 30 -9.618 -11.013 -7.187 1.00 0.00 C ATOM 463 OD1 ASN A 30 -10.051 -12.138 -7.039 1.00 0.00 O ATOM 464 ND2 ASN A 30 -9.657 -10.451 -8.365 1.00 0.00 N ATOM 0 H ASN A 30 -8.601 -7.581 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.756 -8.950 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.016 -9.908 -6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.940 -10.903 -5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.051 -10.957 -9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.294 -9.506 -8.492 1.00 0.00 H new ATOM 471 N GLY A 31 -10.907 -8.095 -3.648 1.00 0.00 N ATOM 472 CA GLY A 31 -11.505 -8.168 -2.279 1.00 0.00 C ATOM 473 C GLY A 31 -12.489 -7.011 -2.073 1.00 0.00 C ATOM 474 O GLY A 31 -12.527 -6.400 -1.022 1.00 0.00 O ATOM 0 H GLY A 31 -10.836 -7.156 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.019 -9.120 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.717 -8.125 -1.527 1.00 0.00 H new ATOM 478 N CYS A 32 -13.285 -6.707 -3.071 1.00 0.00 N ATOM 479 CA CYS A 32 -14.273 -5.591 -2.948 1.00 0.00 C ATOM 480 C CYS A 32 -15.196 -5.566 -4.178 1.00 0.00 C ATOM 481 O CYS A 32 -14.777 -5.164 -5.247 1.00 0.00 O ATOM 482 CB CYS A 32 -13.433 -4.312 -2.899 1.00 0.00 C ATOM 483 SG CYS A 32 -14.532 -2.896 -2.649 1.00 0.00 S ATOM 0 H CYS A 32 -13.292 -7.188 -3.970 1.00 0.00 H new ATOM 0 HA CYS A 32 -14.905 -5.700 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.704 -4.371 -2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.872 -4.194 -3.826 1.00 0.00 H new ATOM 488 N PRO A 33 -16.425 -5.996 -3.993 1.00 0.00 N ATOM 489 CA PRO A 33 -17.398 -6.008 -5.117 1.00 0.00 C ATOM 490 C PRO A 33 -17.818 -4.576 -5.483 1.00 0.00 C ATOM 491 O PRO A 33 -18.017 -3.741 -4.621 1.00 0.00 O ATOM 492 CB PRO A 33 -18.579 -6.804 -4.562 1.00 0.00 C ATOM 493 CG PRO A 33 -18.481 -6.656 -3.077 1.00 0.00 C ATOM 494 CD PRO A 33 -17.019 -6.504 -2.746 1.00 0.00 C ATOM 0 HA PRO A 33 -16.992 -6.443 -6.030 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.527 -6.416 -4.936 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.524 -7.851 -4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.046 -5.788 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.902 -7.526 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.867 -5.810 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.575 -7.455 -2.450 1.00 0.00 H new ATOM 502 N VAL A 34 -17.947 -4.289 -6.756 1.00 0.00 N ATOM 503 CA VAL A 34 -18.347 -2.910 -7.186 1.00 0.00 C ATOM 504 C VAL A 34 -19.809 -2.619 -6.803 1.00 0.00 C ATOM 505 O VAL A 34 -20.190 -1.477 -6.621 1.00 0.00 O ATOM 506 CB VAL A 34 -18.172 -2.896 -8.712 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.688 -1.571 -9.281 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.688 -3.048 -9.059 1.00 0.00 C ATOM 0 H VAL A 34 -17.793 -4.950 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.743 -2.144 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.737 -3.722 -9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.562 -1.566 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.745 -1.458 -9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.125 -0.745 -8.846 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.565 -3.038 -10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.126 -2.223 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.316 -3.992 -8.660 1.00 0.00 H new ATOM 518 N SER A 35 -20.631 -3.637 -6.683 1.00 0.00 N ATOM 519 CA SER A 35 -22.065 -3.414 -6.316 1.00 0.00 C ATOM 520 C SER A 35 -22.217 -3.079 -4.821 1.00 0.00 C ATOM 521 O SER A 35 -23.280 -2.675 -4.385 1.00 0.00 O ATOM 522 CB SER A 35 -22.770 -4.732 -6.644 1.00 0.00 C ATOM 523 OG SER A 35 -24.063 -4.458 -7.171 1.00 0.00 O ATOM 0 H SER A 35 -20.369 -4.613 -6.824 1.00 0.00 H new ATOM 0 HA SER A 35 -22.489 -2.570 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.184 -5.301 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.853 -5.346 -5.747 1.00 0.00 H new ATOM 0 HG SER A 35 -24.252 -5.073 -7.910 1.00 0.00 H new ATOM 529 N CYS A 36 -21.170 -3.247 -4.034 1.00 0.00 N ATOM 530 CA CYS A 36 -21.251 -2.944 -2.564 1.00 0.00 C ATOM 531 C CYS A 36 -22.366 -3.765 -1.892 1.00 0.00 C ATOM 532 O CYS A 36 -22.921 -3.364 -0.885 1.00 0.00 O ATOM 533 CB CYS A 36 -21.557 -1.443 -2.467 1.00 0.00 C ATOM 534 SG CYS A 36 -20.228 -0.488 -3.246 1.00 0.00 S ATOM 0 H CYS A 36 -20.260 -3.583 -4.351 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.323 -3.203 -2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.507 -1.225 -2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.661 -1.151 -1.422 1.00 0.00 H new ATOM 539 N ARG A 37 -22.694 -4.911 -2.441 1.00 0.00 N ATOM 540 CA ARG A 37 -23.767 -5.758 -1.840 1.00 0.00 C ATOM 541 C ARG A 37 -23.165 -7.004 -1.185 1.00 0.00 C ATOM 542 O ARG A 37 -22.139 -7.504 -1.610 1.00 0.00 O ATOM 543 CB ARG A 37 -24.669 -6.157 -3.012 1.00 0.00 C ATOM 544 CG ARG A 37 -25.402 -4.923 -3.546 1.00 0.00 C ATOM 545 CD ARG A 37 -26.867 -5.275 -3.817 1.00 0.00 C ATOM 546 NE ARG A 37 -27.252 -4.445 -4.993 1.00 0.00 N ATOM 547 CZ ARG A 37 -27.694 -5.016 -6.082 1.00 0.00 C ATOM 548 NH1 ARG A 37 -28.940 -5.410 -6.150 1.00 0.00 N ATOM 549 NH2 ARG A 37 -26.893 -5.193 -7.099 1.00 0.00 N ATOM 0 H ARG A 37 -22.262 -5.295 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.316 -5.226 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.072 -6.608 -3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.390 -6.908 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -25.340 -4.109 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -24.926 -4.572 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.985 -6.338 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -27.493 -5.050 -2.953 1.00 0.00 H new ATOM 0 HE ARG A 37 -27.170 -3.429 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -29.563 -5.271 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -29.288 -5.856 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -25.922 -4.885 -7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -27.239 -5.639 -7.949 1.00 0.00 H new ATOM 563 N GLY A 38 -23.800 -7.512 -0.158 1.00 0.00 N ATOM 564 CA GLY A 38 -23.277 -8.731 0.530 1.00 0.00 C ATOM 565 C GLY A 38 -22.042 -8.383 1.374 1.00 0.00 C ATOM 566 O GLY A 38 -21.188 -9.219 1.598 1.00 0.00 O ATOM 0 H GLY A 38 -24.662 -7.133 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.052 -9.157 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.018 -9.490 -0.208 1.00 0.00 H new ATOM 570 N ILE A 39 -21.942 -7.164 1.852 1.00 0.00 N ATOM 571 CA ILE A 39 -20.765 -6.777 2.687 1.00 0.00 C ATOM 572 C ILE A 39 -21.231 -6.045 3.945 1.00 0.00 C ATOM 573 O ILE A 39 -22.317 -5.495 3.994 1.00 0.00 O ATOM 574 CB ILE A 39 -19.901 -5.850 1.818 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.660 -4.547 1.527 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.552 -6.550 0.500 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.804 -3.638 0.642 1.00 0.00 C ATOM 0 H ILE A 39 -22.626 -6.423 1.699 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.201 -7.653 3.007 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.982 -5.615 2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.605 -4.768 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.901 -4.039 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.939 -5.888 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.999 -7.466 0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.469 -6.795 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.346 -2.714 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.871 -3.405 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.585 -4.146 -0.297 1.00 0.00 H new ATOM 589 N SER A 40 -20.409 -6.029 4.957 1.00 0.00 N ATOM 590 CA SER A 40 -20.779 -5.328 6.218 1.00 0.00 C ATOM 591 C SER A 40 -20.535 -3.825 6.063 1.00 0.00 C ATOM 592 O SER A 40 -19.797 -3.397 5.193 1.00 0.00 O ATOM 593 CB SER A 40 -19.858 -5.910 7.300 1.00 0.00 C ATOM 594 OG SER A 40 -19.453 -7.227 6.938 1.00 0.00 O ATOM 0 H SER A 40 -19.491 -6.474 4.965 1.00 0.00 H new ATOM 0 HA SER A 40 -21.830 -5.466 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.982 -5.273 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.377 -5.931 8.258 1.00 0.00 H new ATOM 0 HG SER A 40 -18.865 -7.591 7.632 1.00 0.00 H new ATOM 600 N PHE A 41 -21.141 -3.022 6.900 1.00 0.00 N ATOM 601 CA PHE A 41 -20.939 -1.542 6.811 1.00 0.00 C ATOM 602 C PHE A 41 -19.446 -1.213 6.935 1.00 0.00 C ATOM 603 O PHE A 41 -18.899 -0.473 6.139 1.00 0.00 O ATOM 604 CB PHE A 41 -21.727 -0.961 7.990 1.00 0.00 C ATOM 605 CG PHE A 41 -21.802 0.545 7.872 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.565 1.135 6.854 1.00 0.00 C ATOM 607 CD2 PHE A 41 -21.113 1.352 8.785 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.635 2.528 6.752 1.00 0.00 C ATOM 609 CE2 PHE A 41 -21.184 2.745 8.682 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.945 3.334 7.665 1.00 0.00 C ATOM 0 H PHE A 41 -21.769 -3.327 7.644 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.278 -1.129 5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.732 -1.383 8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.248 -1.237 8.929 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -23.098 0.514 6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.526 0.898 9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.222 2.982 5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.652 3.366 9.387 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.000 4.410 7.585 1.00 0.00 H new ATOM 620 N SER A 42 -18.785 -1.772 7.920 1.00 0.00 N ATOM 621 CA SER A 42 -17.321 -1.509 8.092 1.00 0.00 C ATOM 622 C SER A 42 -16.538 -2.098 6.913 1.00 0.00 C ATOM 623 O SER A 42 -15.541 -1.546 6.486 1.00 0.00 O ATOM 624 CB SER A 42 -16.931 -2.210 9.396 1.00 0.00 C ATOM 625 OG SER A 42 -15.805 -1.551 9.963 1.00 0.00 O ATOM 0 H SER A 42 -19.196 -2.399 8.612 1.00 0.00 H new ATOM 0 HA SER A 42 -17.099 -0.442 8.126 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.767 -2.194 10.095 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.696 -3.257 9.204 1.00 0.00 H new ATOM 0 HG SER A 42 -15.553 -1.995 10.799 1.00 0.00 H new ATOM 631 N GLN A 43 -16.990 -3.209 6.377 1.00 0.00 N ATOM 632 CA GLN A 43 -16.283 -3.829 5.214 1.00 0.00 C ATOM 633 C GLN A 43 -16.338 -2.882 4.013 1.00 0.00 C ATOM 634 O GLN A 43 -15.350 -2.670 3.333 1.00 0.00 O ATOM 635 CB GLN A 43 -17.057 -5.119 4.920 1.00 0.00 C ATOM 636 CG GLN A 43 -16.122 -6.161 4.305 1.00 0.00 C ATOM 637 CD GLN A 43 -16.949 -7.191 3.530 1.00 0.00 C ATOM 638 OE1 GLN A 43 -17.882 -7.762 4.062 1.00 0.00 O ATOM 639 NE2 GLN A 43 -16.651 -7.453 2.289 1.00 0.00 N ATOM 0 H GLN A 43 -17.818 -3.711 6.696 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.231 -4.028 5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.494 -5.508 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.882 -4.911 4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.407 -5.677 3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.545 -6.655 5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.869 -6.976 1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.200 -8.136 1.766 1.00 0.00 H new ATOM 648 N ALA A 44 -17.484 -2.297 3.762 1.00 0.00 N ATOM 649 CA ALA A 44 -17.609 -1.347 2.618 1.00 0.00 C ATOM 650 C ALA A 44 -16.789 -0.084 2.908 1.00 0.00 C ATOM 651 O ALA A 44 -16.185 0.493 2.022 1.00 0.00 O ATOM 652 CB ALA A 44 -19.105 -1.027 2.535 1.00 0.00 C ATOM 0 H ALA A 44 -18.338 -2.438 4.302 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.237 -1.759 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.283 -0.331 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.664 -1.946 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.433 -0.576 3.471 1.00 0.00 H new ATOM 658 N ARG A 45 -16.756 0.335 4.151 1.00 0.00 N ATOM 659 CA ARG A 45 -15.966 1.547 4.527 1.00 0.00 C ATOM 660 C ARG A 45 -14.470 1.298 4.295 1.00 0.00 C ATOM 661 O ARG A 45 -13.749 2.169 3.841 1.00 0.00 O ATOM 662 CB ARG A 45 -16.239 1.754 6.019 1.00 0.00 C ATOM 663 CG ARG A 45 -17.497 2.606 6.198 1.00 0.00 C ATOM 664 CD ARG A 45 -17.848 2.691 7.686 1.00 0.00 C ATOM 665 NE ARG A 45 -18.514 4.014 7.851 1.00 0.00 N ATOM 666 CZ ARG A 45 -18.032 4.890 8.692 1.00 0.00 C ATOM 667 NH1 ARG A 45 -18.127 4.680 9.980 1.00 0.00 N ATOM 668 NH2 ARG A 45 -17.454 5.973 8.245 1.00 0.00 N ATOM 0 H ARG A 45 -17.246 -0.115 4.924 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.245 2.417 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.367 0.791 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.386 2.243 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.333 3.605 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.327 2.170 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.509 1.877 7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.955 2.619 8.307 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.347 4.236 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.577 3.833 10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.751 5.363 10.637 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.379 6.134 7.241 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.077 6.658 8.900 1.00 0.00 H new ATOM 682 N SER A 46 -14.001 0.113 4.616 1.00 0.00 N ATOM 683 CA SER A 46 -12.552 -0.210 4.431 1.00 0.00 C ATOM 684 C SER A 46 -12.158 -0.145 2.950 1.00 0.00 C ATOM 685 O SER A 46 -11.131 0.409 2.606 1.00 0.00 O ATOM 686 CB SER A 46 -12.387 -1.635 4.965 1.00 0.00 C ATOM 687 OG SER A 46 -11.031 -1.839 5.347 1.00 0.00 O ATOM 0 H SER A 46 -14.564 -0.646 5.000 1.00 0.00 H new ATOM 0 HA SER A 46 -11.913 0.502 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.046 -1.794 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.675 -2.358 4.201 1.00 0.00 H new ATOM 0 HG SER A 46 -10.922 -2.750 5.691 1.00 0.00 H new ATOM 693 N CYS A 47 -12.956 -0.707 2.071 1.00 0.00 N ATOM 694 CA CYS A 47 -12.603 -0.672 0.614 1.00 0.00 C ATOM 695 C CYS A 47 -12.631 0.763 0.078 1.00 0.00 C ATOM 696 O CYS A 47 -11.856 1.115 -0.789 1.00 0.00 O ATOM 697 CB CYS A 47 -13.653 -1.521 -0.103 1.00 0.00 C ATOM 698 SG CYS A 47 -13.329 -1.474 -1.882 1.00 0.00 S ATOM 0 H CYS A 47 -13.829 -1.184 2.296 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.596 -1.055 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.619 -2.548 0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.653 -1.142 0.108 1.00 0.00 H new ATOM 703 N CYS A 48 -13.514 1.593 0.575 1.00 0.00 N ATOM 704 CA CYS A 48 -13.573 3.005 0.074 1.00 0.00 C ATOM 705 C CYS A 48 -12.235 3.715 0.306 1.00 0.00 C ATOM 706 O CYS A 48 -11.750 4.428 -0.549 1.00 0.00 O ATOM 707 CB CYS A 48 -14.677 3.677 0.887 1.00 0.00 C ATOM 708 SG CYS A 48 -14.763 5.438 0.467 1.00 0.00 S ATOM 0 H CYS A 48 -14.192 1.359 1.300 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.772 3.045 -0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.635 3.198 0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.481 3.557 1.953 1.00 0.00 H new ATOM 713 N SER A 49 -11.638 3.528 1.455 1.00 0.00 N ATOM 714 CA SER A 49 -10.333 4.200 1.737 1.00 0.00 C ATOM 715 C SER A 49 -9.154 3.348 1.248 1.00 0.00 C ATOM 716 O SER A 49 -8.096 3.865 0.946 1.00 0.00 O ATOM 717 CB SER A 49 -10.284 4.355 3.257 1.00 0.00 C ATOM 718 OG SER A 49 -9.236 5.251 3.601 1.00 0.00 O ATOM 0 H SER A 49 -11.996 2.941 2.208 1.00 0.00 H new ATOM 0 HA SER A 49 -10.256 5.157 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.237 4.732 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.120 3.386 3.728 1.00 0.00 H new ATOM 0 HG SER A 49 -9.201 5.355 4.575 1.00 0.00 H new ATOM 724 N ARG A 50 -9.321 2.052 1.180 1.00 0.00 N ATOM 725 CA ARG A 50 -8.199 1.172 0.725 1.00 0.00 C ATOM 726 C ARG A 50 -8.162 1.059 -0.807 1.00 0.00 C ATOM 727 O ARG A 50 -7.109 0.879 -1.388 1.00 0.00 O ATOM 728 CB ARG A 50 -8.487 -0.195 1.355 1.00 0.00 C ATOM 729 CG ARG A 50 -7.298 -1.135 1.123 1.00 0.00 C ATOM 730 CD ARG A 50 -6.438 -1.206 2.391 1.00 0.00 C ATOM 731 NE ARG A 50 -5.630 0.049 2.387 1.00 0.00 N ATOM 732 CZ ARG A 50 -4.466 0.078 1.795 1.00 0.00 C ATOM 733 NH1 ARG A 50 -3.386 -0.230 2.464 1.00 0.00 N ATOM 734 NH2 ARG A 50 -4.384 0.416 0.534 1.00 0.00 N ATOM 0 H ARG A 50 -10.184 1.564 1.419 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.230 1.572 1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.670 -0.082 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.391 -0.623 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.655 -2.130 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.699 -0.779 0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.059 -1.272 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.797 -2.087 2.383 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.988 0.886 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.453 -0.493 3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.477 -0.208 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.228 0.656 0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.476 0.439 0.070 1.00 0.00 H new ATOM 748 N LEU A 51 -9.296 1.144 -1.462 1.00 0.00 N ATOM 749 CA LEU A 51 -9.312 1.017 -2.955 1.00 0.00 C ATOM 750 C LEU A 51 -10.185 2.097 -3.622 1.00 0.00 C ATOM 751 O LEU A 51 -10.375 2.076 -4.825 1.00 0.00 O ATOM 752 CB LEU A 51 -9.910 -0.371 -3.214 1.00 0.00 C ATOM 753 CG LEU A 51 -8.790 -1.413 -3.289 1.00 0.00 C ATOM 754 CD1 LEU A 51 -9.307 -2.757 -2.767 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.338 -1.575 -4.744 1.00 0.00 C ATOM 0 H LEU A 51 -10.207 1.295 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.313 1.143 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.608 -0.631 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.476 -0.365 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.948 -1.084 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.510 -3.499 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.630 -2.645 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.149 -3.085 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.541 -2.317 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.181 -1.904 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.970 -0.620 -5.119 1.00 0.00 H new ATOM 767 N GLY A 52 -10.724 3.031 -2.871 1.00 0.00 N ATOM 768 CA GLY A 52 -11.587 4.085 -3.491 1.00 0.00 C ATOM 769 C GLY A 52 -12.833 3.433 -4.107 1.00 0.00 C ATOM 770 O GLY A 52 -13.365 3.903 -5.096 1.00 0.00 O ATOM 0 H GLY A 52 -10.603 3.107 -1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.881 4.817 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.029 4.622 -4.258 1.00 0.00 H new ATOM 774 N ARG A 53 -13.296 2.349 -3.530 1.00 0.00 N ATOM 775 CA ARG A 53 -14.500 1.654 -4.076 1.00 0.00 C ATOM 776 C ARG A 53 -15.554 1.488 -2.978 1.00 0.00 C ATOM 777 O ARG A 53 -15.231 1.374 -1.811 1.00 0.00 O ATOM 778 CB ARG A 53 -13.994 0.290 -4.548 1.00 0.00 C ATOM 779 CG ARG A 53 -13.398 0.421 -5.954 1.00 0.00 C ATOM 780 CD ARG A 53 -14.453 0.054 -7.005 1.00 0.00 C ATOM 781 NE ARG A 53 -15.189 1.323 -7.280 1.00 0.00 N ATOM 782 CZ ARG A 53 -14.783 2.129 -8.226 1.00 0.00 C ATOM 783 NH1 ARG A 53 -15.048 1.854 -9.478 1.00 0.00 N ATOM 784 NH2 ARG A 53 -14.114 3.210 -7.919 1.00 0.00 N ATOM 0 H ARG A 53 -12.888 1.916 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.969 2.213 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.241 -0.089 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.812 -0.430 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.049 1.441 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.531 -0.232 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.988 -0.336 -7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.126 -0.719 -6.634 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.012 1.562 -6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.571 1.011 -9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.731 2.483 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.910 3.423 -6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.797 3.840 -8.656 1.00 0.00 H new ATOM 798 N CYS A 54 -16.812 1.499 -3.350 1.00 0.00 N ATOM 799 CA CYS A 54 -17.919 1.368 -2.346 1.00 0.00 C ATOM 800 C CYS A 54 -17.836 2.545 -1.371 1.00 0.00 C ATOM 801 O CYS A 54 -17.916 2.392 -0.167 1.00 0.00 O ATOM 802 CB CYS A 54 -17.699 0.027 -1.629 1.00 0.00 C ATOM 803 SG CYS A 54 -18.521 -1.309 -2.540 1.00 0.00 S ATOM 0 H CYS A 54 -17.123 1.594 -4.317 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.907 1.385 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.632 -0.180 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.091 0.080 -0.613 1.00 0.00 H new ATOM 808 N CYS A 55 -17.660 3.724 -1.905 1.00 0.00 N ATOM 809 CA CYS A 55 -17.547 4.942 -1.056 1.00 0.00 C ATOM 810 C CYS A 55 -18.925 5.582 -0.809 1.00 0.00 C ATOM 811 O CYS A 55 -19.059 6.469 0.012 1.00 0.00 O ATOM 812 CB CYS A 55 -16.645 5.879 -1.862 1.00 0.00 C ATOM 813 SG CYS A 55 -14.911 5.470 -1.548 1.00 0.00 S ATOM 0 H CYS A 55 -17.589 3.895 -2.908 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.144 4.720 -0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.864 5.786 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.841 6.915 -1.586 1.00 0.00 H new ATOM 818 N HIS A 56 -19.948 5.137 -1.504 1.00 0.00 N ATOM 819 CA HIS A 56 -21.310 5.716 -1.302 1.00 0.00 C ATOM 820 C HIS A 56 -22.269 4.629 -0.792 1.00 0.00 C ATOM 821 O HIS A 56 -23.395 4.516 -1.242 1.00 0.00 O ATOM 822 CB HIS A 56 -21.730 6.214 -2.689 1.00 0.00 C ATOM 823 CG HIS A 56 -22.589 7.441 -2.548 1.00 0.00 C ATOM 824 ND1 HIS A 56 -23.972 7.371 -2.491 1.00 0.00 N ATOM 825 CD2 HIS A 56 -22.276 8.774 -2.456 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.436 8.628 -2.369 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.444 9.523 -2.343 1.00 0.00 N ATOM 0 H HIS A 56 -19.894 4.396 -2.203 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.324 6.518 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.848 6.443 -3.287 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.278 5.433 -3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -21.275 9.180 -2.469 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -25.483 8.883 -2.300 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -23.525 10.536 -2.259 1.00 0.00 H new ATOM 835 N VAL A 57 -21.823 3.827 0.143 1.00 0.00 N ATOM 836 CA VAL A 57 -22.693 2.735 0.688 1.00 0.00 C ATOM 837 C VAL A 57 -23.683 3.303 1.715 1.00 0.00 C ATOM 838 O VAL A 57 -23.294 3.818 2.748 1.00 0.00 O ATOM 839 CB VAL A 57 -21.732 1.743 1.358 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.525 0.574 1.952 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.740 1.202 0.324 1.00 0.00 C ATOM 0 H VAL A 57 -20.891 3.880 0.555 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.285 2.258 -0.093 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.189 2.258 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.839 -0.127 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.229 0.951 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.073 0.065 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.060 0.499 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.285 0.694 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.168 2.028 -0.098 1.00 0.00 H new ATOM 851 N GLY A 58 -24.961 3.202 1.439 1.00 0.00 N ATOM 852 CA GLY A 58 -25.985 3.723 2.394 1.00 0.00 C ATOM 853 C GLY A 58 -26.311 5.185 2.069 1.00 0.00 C ATOM 854 O GLY A 58 -25.446 5.955 1.690 1.00 0.00 O ATOM 0 H GLY A 58 -25.338 2.780 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.890 3.118 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.615 3.643 3.416 1.00 0.00 H new ATOM 858 N LYS A 59 -27.556 5.572 2.219 1.00 0.00 N ATOM 859 CA LYS A 59 -27.954 6.983 1.927 1.00 0.00 C ATOM 860 C LYS A 59 -29.313 7.298 2.568 1.00 0.00 C ATOM 861 O LYS A 59 -30.296 6.624 2.318 1.00 0.00 O ATOM 862 CB LYS A 59 -28.050 7.067 0.398 1.00 0.00 C ATOM 863 CG LYS A 59 -28.259 8.525 -0.029 1.00 0.00 C ATOM 864 CD LYS A 59 -29.665 8.696 -0.619 1.00 0.00 C ATOM 865 CE LYS A 59 -30.577 9.376 0.409 1.00 0.00 C ATOM 866 NZ LYS A 59 -31.829 9.703 -0.331 1.00 0.00 N ATOM 0 H LYS A 59 -28.315 4.967 2.532 1.00 0.00 H new ATOM 0 HA LYS A 59 -27.239 7.701 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -27.141 6.672 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -28.876 6.452 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.131 9.187 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.508 8.809 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -29.618 9.294 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -30.074 7.725 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.780 8.716 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -30.112 10.276 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -32.500 10.171 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -31.608 10.339 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -32.254 8.828 -0.698 1.00 0.00 H new ATOM 880 N GLY A 60 -29.375 8.322 3.386 1.00 0.00 N ATOM 881 CA GLY A 60 -30.669 8.691 4.038 1.00 0.00 C ATOM 882 C GLY A 60 -30.820 7.950 5.371 1.00 0.00 C ATOM 883 O GLY A 60 -29.943 7.217 5.792 1.00 0.00 O ATOM 0 H GLY A 60 -28.584 8.918 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -30.706 9.767 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -31.501 8.442 3.379 1.00 0.00 H new ATOM 887 N TYR A 61 -31.931 8.137 6.039 1.00 0.00 N ATOM 888 CA TYR A 61 -32.152 7.449 7.347 1.00 0.00 C ATOM 889 C TYR A 61 -32.601 6.000 7.119 1.00 0.00 C ATOM 890 O TYR A 61 -33.077 5.646 6.057 1.00 0.00 O ATOM 891 CB TYR A 61 -33.254 8.254 8.043 1.00 0.00 C ATOM 892 CG TYR A 61 -33.357 7.829 9.489 1.00 0.00 C ATOM 893 CD1 TYR A 61 -32.369 8.209 10.405 1.00 0.00 C ATOM 894 CD2 TYR A 61 -34.441 7.050 9.912 1.00 0.00 C ATOM 895 CE1 TYR A 61 -32.465 7.810 11.742 1.00 0.00 C ATOM 896 CE2 TYR A 61 -34.536 6.651 11.250 1.00 0.00 C ATOM 897 CZ TYR A 61 -33.548 7.031 12.165 1.00 0.00 C ATOM 898 OH TYR A 61 -33.641 6.640 13.484 1.00 0.00 O ATOM 0 H TYR A 61 -32.696 8.738 5.733 1.00 0.00 H new ATOM 0 HA TYR A 61 -31.243 7.406 7.946 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -33.033 9.320 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -34.207 8.096 7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -31.533 8.810 10.079 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -35.204 6.757 9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -31.703 8.103 12.449 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -35.372 6.050 11.576 1.00 0.00 H new ATOM 0 HH TYR A 61 -34.453 6.106 13.610 1.00 0.00 H new ATOM 908 N SER A 62 -32.449 5.162 8.113 1.00 0.00 N ATOM 909 CA SER A 62 -32.861 3.732 7.967 1.00 0.00 C ATOM 910 C SER A 62 -34.383 3.595 8.089 1.00 0.00 C ATOM 911 O SER A 62 -35.068 4.510 8.509 1.00 0.00 O ATOM 912 CB SER A 62 -32.165 2.992 9.111 1.00 0.00 C ATOM 913 OG SER A 62 -30.756 3.127 8.970 1.00 0.00 O ATOM 0 H SER A 62 -32.056 5.407 9.022 1.00 0.00 H new ATOM 0 HA SER A 62 -32.585 3.328 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 62 -32.486 3.397 10.070 1.00 0.00 H new ATOM 0 HB3 SER A 62 -32.444 1.938 9.101 1.00 0.00 H new ATOM 0 HG SER A 62 -30.307 2.655 9.703 1.00 0.00 H new ATOM 919 N GLY A 63 -34.913 2.456 7.722 1.00 0.00 N ATOM 920 CA GLY A 63 -36.387 2.243 7.808 1.00 0.00 C ATOM 921 C GLY A 63 -36.754 1.743 9.206 1.00 0.00 C ATOM 922 O GLY A 63 -37.113 2.565 10.033 1.00 0.00 O ATOM 923 OXT GLY A 63 -36.672 0.546 9.426 1.00 0.00 O ATOM 0 H GLY A 63 -34.384 1.661 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -36.912 3.174 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -36.704 1.519 7.057 1.00 0.00 H new TER 927 GLY A 63