USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 295 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 ASN : amide:sc= -0.857 K(o=-0.86,f=-7!) USER MOD Single : A 1 ASN N :NH3+ 174:sc= 0.726 (180deg=0.688) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 128:sc= 0.405 (180deg=-0.537!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.07 K(o=-2.1,f=-2.7) USER MOD Single : A 22 HIS : no HD1:sc=-0.00404 X(o=-0.004,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.638) USER MOD Single : A 26 THR OG1 : rot 12:sc= 0.124! USER MOD Single : A 28 ASN : amide:sc= -6.76! C(o=-6.8!,f=-25!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 46.963 -8.591 8.052 1.00 0.00 N ATOM 2 CA ASN A 1 46.919 -7.335 7.249 1.00 0.00 C ATOM 3 C ASN A 1 46.740 -6.126 8.171 1.00 0.00 C ATOM 4 O ASN A 1 46.253 -6.245 9.279 1.00 0.00 O ATOM 5 CB ASN A 1 45.710 -7.497 6.326 1.00 0.00 C ATOM 6 CG ASN A 1 44.441 -7.651 7.165 1.00 0.00 C ATOM 7 OD1 ASN A 1 44.498 -7.674 8.379 1.00 0.00 O ATOM 8 ND2 ASN A 1 43.287 -7.759 6.565 1.00 0.00 N ATOM 0 H1 ASN A 1 46.982 -9.411 7.413 1.00 0.00 H new ATOM 0 H2 ASN A 1 47.817 -8.594 8.645 1.00 0.00 H new ATOM 0 H3 ASN A 1 46.120 -8.645 8.659 1.00 0.00 H new ATOM 0 HA ASN A 1 47.838 -7.169 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 1 45.622 -6.631 5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 1 45.843 -8.369 5.686 1.00 0.00 H new ATOM 0 HD21 ASN A 1 42.434 -7.863 7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 1 43.238 -7.740 5.546 1.00 0.00 H new ATOM 17 N SER A 2 47.131 -4.965 7.723 1.00 0.00 N ATOM 18 CA SER A 2 46.986 -3.749 8.576 1.00 0.00 C ATOM 19 C SER A 2 46.573 -2.545 7.723 1.00 0.00 C ATOM 20 O SER A 2 46.856 -2.482 6.543 1.00 0.00 O ATOM 21 CB SER A 2 48.372 -3.528 9.183 1.00 0.00 C ATOM 22 OG SER A 2 49.298 -3.233 8.148 1.00 0.00 O ATOM 0 H SER A 2 47.544 -4.804 6.804 1.00 0.00 H new ATOM 0 HA SER A 2 46.219 -3.870 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 48.340 -2.709 9.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 48.689 -4.418 9.727 1.00 0.00 H new ATOM 0 HG SER A 2 50.187 -3.089 8.535 1.00 0.00 H new ATOM 28 N LYS A 3 45.909 -1.589 8.314 1.00 0.00 N ATOM 29 CA LYS A 3 45.480 -0.387 7.539 1.00 0.00 C ATOM 30 C LYS A 3 46.234 0.852 8.030 1.00 0.00 C ATOM 31 O LYS A 3 46.701 0.903 9.151 1.00 0.00 O ATOM 32 CB LYS A 3 43.983 -0.251 7.820 1.00 0.00 C ATOM 33 CG LYS A 3 43.349 0.675 6.779 1.00 0.00 C ATOM 34 CD LYS A 3 41.836 0.732 7.000 1.00 0.00 C ATOM 35 CE LYS A 3 41.547 1.254 8.409 1.00 0.00 C ATOM 36 NZ LYS A 3 40.071 1.129 8.565 1.00 0.00 N ATOM 0 H LYS A 3 45.645 -1.587 9.299 1.00 0.00 H new ATOM 0 HA LYS A 3 45.687 -0.484 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 3 43.506 -1.231 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 3 43.825 0.149 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 3 43.777 1.675 6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 3 43.567 0.313 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 3 41.373 1.382 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 3 41.401 -0.259 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 3 42.075 0.671 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 3 41.871 2.289 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 39.857 0.613 9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 39.645 2.077 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 39.679 0.610 7.754 1.00 0.00 H new ATOM 50 N ARG A 4 46.360 1.852 7.201 1.00 0.00 N ATOM 51 CA ARG A 4 47.086 3.083 7.628 1.00 0.00 C ATOM 52 C ARG A 4 46.700 4.267 6.738 1.00 0.00 C ATOM 53 O ARG A 4 46.244 4.098 5.625 1.00 0.00 O ATOM 54 CB ARG A 4 48.567 2.746 7.457 1.00 0.00 C ATOM 55 CG ARG A 4 49.415 3.917 7.957 1.00 0.00 C ATOM 56 CD ARG A 4 50.872 3.706 7.542 1.00 0.00 C ATOM 57 NE ARG A 4 51.253 2.393 8.134 1.00 0.00 N ATOM 58 CZ ARG A 4 52.211 1.688 7.594 1.00 0.00 C ATOM 59 NH1 ARG A 4 53.362 1.583 8.198 1.00 0.00 N ATOM 60 NH2 ARG A 4 52.017 1.092 6.450 1.00 0.00 N ATOM 0 H ARG A 4 45.993 1.871 6.249 1.00 0.00 H new ATOM 0 HA ARG A 4 46.845 3.368 8.652 1.00 0.00 H new ATOM 0 HB2 ARG A 4 48.812 1.841 8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 4 48.787 2.545 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 4 49.040 4.854 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 4 49.342 3.995 9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 4 50.976 3.695 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 4 51.509 4.508 7.915 1.00 0.00 H new ATOM 0 HE ARG A 4 50.766 2.045 8.960 1.00 0.00 H new ATOM 0 HH11 ARG A 4 53.514 2.051 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 4 54.111 1.033 7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 4 51.117 1.176 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 4 52.765 0.542 6.028 1.00 0.00 H new ATOM 74 N ALA A 5 46.884 5.467 7.220 1.00 0.00 N ATOM 75 CA ALA A 5 46.532 6.663 6.404 1.00 0.00 C ATOM 76 C ALA A 5 45.019 6.729 6.181 1.00 0.00 C ATOM 77 O ALA A 5 44.465 5.993 5.388 1.00 0.00 O ATOM 78 CB ALA A 5 47.261 6.463 5.075 1.00 0.00 C ATOM 0 H ALA A 5 47.263 5.670 8.145 1.00 0.00 H new ATOM 0 HA ALA A 5 46.820 7.594 6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 5 47.052 7.305 4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 5 48.334 6.400 5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 5 46.917 5.541 4.606 1.00 0.00 H new ATOM 84 N CYS A 6 44.345 7.610 6.871 1.00 0.00 N ATOM 85 CA CYS A 6 42.869 7.723 6.692 1.00 0.00 C ATOM 86 C CYS A 6 42.552 8.099 5.243 1.00 0.00 C ATOM 87 O CYS A 6 41.483 7.816 4.737 1.00 0.00 O ATOM 88 CB CYS A 6 42.429 8.835 7.646 1.00 0.00 C ATOM 89 SG CYS A 6 40.622 8.844 7.764 1.00 0.00 S ATOM 0 H CYS A 6 44.752 8.255 7.549 1.00 0.00 H new ATOM 0 HA CYS A 6 42.352 6.787 6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 6 42.868 8.679 8.631 1.00 0.00 H new ATOM 0 HB3 CYS A 6 42.786 9.800 7.287 1.00 0.00 H new ATOM 94 N TYR A 7 43.477 8.729 4.571 1.00 0.00 N ATOM 95 CA TYR A 7 43.235 9.116 3.151 1.00 0.00 C ATOM 96 C TYR A 7 43.215 7.864 2.271 1.00 0.00 C ATOM 97 O TYR A 7 42.552 7.815 1.255 1.00 0.00 O ATOM 98 CB TYR A 7 44.411 10.019 2.777 1.00 0.00 C ATOM 99 CG TYR A 7 44.306 10.412 1.323 1.00 0.00 C ATOM 100 CD1 TYR A 7 43.331 11.331 0.916 1.00 0.00 C ATOM 101 CD2 TYR A 7 45.186 9.863 0.381 1.00 0.00 C ATOM 102 CE1 TYR A 7 43.235 11.700 -0.432 1.00 0.00 C ATOM 103 CE2 TYR A 7 45.089 10.231 -0.967 1.00 0.00 C ATOM 104 CZ TYR A 7 44.114 11.150 -1.372 1.00 0.00 C ATOM 105 OH TYR A 7 44.019 11.514 -2.701 1.00 0.00 O ATOM 0 H TYR A 7 44.389 8.992 4.943 1.00 0.00 H new ATOM 0 HA TYR A 7 42.280 9.623 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 7 44.413 10.910 3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 7 45.353 9.500 2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 7 42.653 11.755 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 7 45.940 9.156 0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 7 42.483 12.409 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 7 45.766 9.806 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 7 44.704 11.042 -3.219 1.00 0.00 H new ATOM 115 N ARG A 8 43.938 6.848 2.659 1.00 0.00 N ATOM 116 CA ARG A 8 43.962 5.596 1.850 1.00 0.00 C ATOM 117 C ARG A 8 42.596 4.908 1.902 1.00 0.00 C ATOM 118 O ARG A 8 42.167 4.287 0.951 1.00 0.00 O ATOM 119 CB ARG A 8 45.028 4.722 2.511 1.00 0.00 C ATOM 120 CG ARG A 8 45.199 3.430 1.709 1.00 0.00 C ATOM 121 CD ARG A 8 46.311 2.591 2.338 1.00 0.00 C ATOM 122 NE ARG A 8 46.443 1.402 1.451 1.00 0.00 N ATOM 123 CZ ARG A 8 46.923 0.287 1.928 1.00 0.00 C ATOM 124 NH1 ARG A 8 47.785 0.315 2.907 1.00 0.00 N ATOM 125 NH2 ARG A 8 46.538 -0.854 1.429 1.00 0.00 N ATOM 0 H ARG A 8 44.513 6.831 3.501 1.00 0.00 H new ATOM 0 HA ARG A 8 44.182 5.785 0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 8 45.975 5.260 2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 8 44.739 4.491 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 8 44.265 2.868 1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 8 45.444 3.661 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 8 47.245 3.150 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 8 46.057 2.298 3.356 1.00 0.00 H new ATOM 0 HE ARG A 8 46.159 1.459 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 8 48.083 1.208 3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 8 48.161 -0.557 3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 8 45.862 -0.875 0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 8 46.913 -1.726 1.802 1.00 0.00 H new ATOM 139 N GLU A 9 41.910 5.013 3.008 1.00 0.00 N ATOM 140 CA GLU A 9 40.571 4.365 3.117 1.00 0.00 C ATOM 141 C GLU A 9 39.624 4.923 2.053 1.00 0.00 C ATOM 142 O GLU A 9 38.692 4.266 1.632 1.00 0.00 O ATOM 143 CB GLU A 9 40.072 4.720 4.517 1.00 0.00 C ATOM 144 CG GLU A 9 40.787 3.849 5.550 1.00 0.00 C ATOM 145 CD GLU A 9 40.465 4.356 6.958 1.00 0.00 C ATOM 146 OE1 GLU A 9 40.542 5.555 7.167 1.00 0.00 O ATOM 147 OE2 GLU A 9 40.148 3.535 7.803 1.00 0.00 O ATOM 0 H GLU A 9 42.218 5.518 3.839 1.00 0.00 H new ATOM 0 HA GLU A 9 40.621 3.287 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 9 40.257 5.774 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 9 38.995 4.567 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 9 40.473 2.811 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 9 41.863 3.875 5.380 1.00 0.00 H new ATOM 154 N GLY A 10 39.852 6.131 1.616 1.00 0.00 N ATOM 155 CA GLY A 10 38.962 6.730 0.579 1.00 0.00 C ATOM 156 C GLY A 10 37.877 7.569 1.260 1.00 0.00 C ATOM 157 O GLY A 10 37.176 8.329 0.621 1.00 0.00 O ATOM 0 H GLY A 10 40.615 6.730 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 10 39.545 7.352 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.505 5.944 -0.022 1.00 0.00 H new ATOM 161 N GLY A 11 37.731 7.437 2.550 1.00 0.00 N ATOM 162 CA GLY A 11 36.690 8.227 3.265 1.00 0.00 C ATOM 163 C GLY A 11 37.217 9.638 3.534 1.00 0.00 C ATOM 164 O GLY A 11 38.330 9.973 3.182 1.00 0.00 O ATOM 0 H GLY A 11 38.287 6.817 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 11 35.780 8.275 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 11 36.429 7.739 4.204 1.00 0.00 H new ATOM 168 N GLU A 12 36.425 10.469 4.155 1.00 0.00 N ATOM 169 CA GLU A 12 36.882 11.859 4.445 1.00 0.00 C ATOM 170 C GLU A 12 36.816 12.131 5.951 1.00 0.00 C ATOM 171 O GLU A 12 35.960 11.619 6.647 1.00 0.00 O ATOM 172 CB GLU A 12 35.903 12.760 3.691 1.00 0.00 C ATOM 173 CG GLU A 12 36.070 12.540 2.185 1.00 0.00 C ATOM 174 CD GLU A 12 37.479 12.960 1.764 1.00 0.00 C ATOM 175 OE1 GLU A 12 37.927 13.999 2.221 1.00 0.00 O ATOM 176 OE2 GLU A 12 38.087 12.234 0.995 1.00 0.00 O ATOM 0 H GLU A 12 35.482 10.246 4.474 1.00 0.00 H new ATOM 0 HA GLU A 12 37.913 12.031 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 12 34.879 12.536 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 12 36.087 13.805 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 12 35.902 11.492 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 12 35.327 13.119 1.637 1.00 0.00 H new ATOM 183 N CYS A 13 37.712 12.930 6.460 1.00 0.00 N ATOM 184 CA CYS A 13 37.694 13.228 7.921 1.00 0.00 C ATOM 185 C CYS A 13 36.748 14.396 8.208 1.00 0.00 C ATOM 186 O CYS A 13 36.880 15.467 7.650 1.00 0.00 O ATOM 187 CB CYS A 13 39.136 13.595 8.272 1.00 0.00 C ATOM 188 SG CYS A 13 40.206 12.161 7.984 1.00 0.00 S ATOM 0 H CYS A 13 38.454 13.388 5.931 1.00 0.00 H new ATOM 0 HA CYS A 13 37.340 12.384 8.512 1.00 0.00 H new ATOM 0 HB2 CYS A 13 39.467 14.438 7.665 1.00 0.00 H new ATOM 0 HB3 CYS A 13 39.200 13.908 9.314 1.00 0.00 H new ATOM 193 N LEU A 14 35.790 14.196 9.073 1.00 0.00 N ATOM 194 CA LEU A 14 34.831 15.294 9.389 1.00 0.00 C ATOM 195 C LEU A 14 35.045 15.800 10.819 1.00 0.00 C ATOM 196 O LEU A 14 35.264 15.031 11.734 1.00 0.00 O ATOM 197 CB LEU A 14 33.446 14.658 9.255 1.00 0.00 C ATOM 198 CG LEU A 14 33.162 14.341 7.785 1.00 0.00 C ATOM 199 CD1 LEU A 14 33.510 15.554 6.919 1.00 0.00 C ATOM 200 CD2 LEU A 14 34.006 13.143 7.345 1.00 0.00 C ATOM 0 H LEU A 14 35.630 13.322 9.574 1.00 0.00 H new ATOM 0 HA LEU A 14 34.959 16.151 8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 14 33.395 13.746 9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 14 32.686 15.335 9.644 1.00 0.00 H new ATOM 0 HG LEU A 14 32.105 14.103 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 14 33.307 15.325 5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 14 32.906 16.407 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.566 15.796 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 14 33.802 12.919 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 14 35.063 13.379 7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 14 33.755 12.277 7.957 1.00 0.00 H new ATOM 212 N GLN A 15 34.977 17.089 11.017 1.00 0.00 N ATOM 213 CA GLN A 15 35.167 17.650 12.387 1.00 0.00 C ATOM 214 C GLN A 15 34.031 17.189 13.300 1.00 0.00 C ATOM 215 O GLN A 15 34.180 17.099 14.503 1.00 0.00 O ATOM 216 CB GLN A 15 35.115 19.165 12.205 1.00 0.00 C ATOM 217 CG GLN A 15 33.698 19.577 11.801 1.00 0.00 C ATOM 218 CD GLN A 15 33.608 21.102 11.739 1.00 0.00 C ATOM 219 OE1 GLN A 15 34.240 21.793 12.514 1.00 0.00 O ATOM 220 NE2 GLN A 15 32.844 21.662 10.841 1.00 0.00 N ATOM 0 H GLN A 15 34.798 17.780 10.288 1.00 0.00 H new ATOM 0 HA GLN A 15 36.103 17.324 12.842 1.00 0.00 H new ATOM 0 HB2 GLN A 15 35.401 19.664 13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 15 35.828 19.476 11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 15 33.446 19.148 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 15 32.976 19.188 12.519 1.00 0.00 H new ATOM 0 HE21 GLN A 15 32.313 21.083 10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 15 32.778 22.679 10.790 1.00 0.00 H new ATOM 229 N ARG A 16 32.894 16.900 12.733 1.00 0.00 N ATOM 230 CA ARG A 16 31.739 16.445 13.553 1.00 0.00 C ATOM 231 C ARG A 16 30.987 15.338 12.813 1.00 0.00 C ATOM 232 O ARG A 16 29.802 15.438 12.566 1.00 0.00 O ATOM 233 CB ARG A 16 30.856 17.683 13.712 1.00 0.00 C ATOM 234 CG ARG A 16 31.466 18.615 14.761 1.00 0.00 C ATOM 235 CD ARG A 16 30.352 19.416 15.440 1.00 0.00 C ATOM 236 NE ARG A 16 29.824 20.317 14.376 1.00 0.00 N ATOM 237 CZ ARG A 16 30.400 21.467 14.148 1.00 0.00 C ATOM 238 NH1 ARG A 16 31.081 21.649 13.050 1.00 0.00 N ATOM 239 NH2 ARG A 16 30.292 22.435 15.017 1.00 0.00 N ATOM 0 H ARG A 16 32.715 16.960 11.731 1.00 0.00 H new ATOM 0 HA ARG A 16 32.043 16.039 14.518 1.00 0.00 H new ATOM 0 HB2 ARG A 16 30.765 18.202 12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 16 29.850 17.389 14.012 1.00 0.00 H new ATOM 0 HG2 ARG A 16 32.016 18.035 15.503 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.180 19.291 14.291 1.00 0.00 H new ATOM 0 HD2 ARG A 16 29.572 18.759 15.825 1.00 0.00 H new ATOM 0 HD3 ARG A 16 30.735 19.986 16.286 1.00 0.00 H new ATOM 0 HE ARG A 16 29.013 20.035 13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 16 31.163 20.893 12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 16 31.531 22.547 12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 16 29.758 22.293 15.874 1.00 0.00 H new ATOM 0 HH22 ARG A 16 30.742 23.333 14.839 1.00 0.00 H new ATOM 253 N CYS A 17 31.676 14.288 12.449 1.00 0.00 N ATOM 254 CA CYS A 17 31.017 13.169 11.714 1.00 0.00 C ATOM 255 C CYS A 17 29.612 12.917 12.265 1.00 0.00 C ATOM 256 O CYS A 17 29.366 13.033 13.449 1.00 0.00 O ATOM 257 CB CYS A 17 31.911 11.954 11.960 1.00 0.00 C ATOM 258 SG CYS A 17 31.444 10.624 10.825 1.00 0.00 S ATOM 0 H CYS A 17 32.671 14.157 12.630 1.00 0.00 H new ATOM 0 HA CYS A 17 30.904 13.389 10.652 1.00 0.00 H new ATOM 0 HB2 CYS A 17 32.957 12.223 11.812 1.00 0.00 H new ATOM 0 HB3 CYS A 17 31.811 11.618 12.992 1.00 0.00 H new ATOM 263 N ILE A 18 28.688 12.573 11.411 1.00 0.00 N ATOM 264 CA ILE A 18 27.300 12.315 11.883 1.00 0.00 C ATOM 265 C ILE A 18 26.882 10.884 11.534 1.00 0.00 C ATOM 266 O ILE A 18 27.610 10.153 10.894 1.00 0.00 O ATOM 267 CB ILE A 18 26.436 13.335 11.141 1.00 0.00 C ATOM 268 CG1 ILE A 18 26.549 13.105 9.632 1.00 0.00 C ATOM 269 CG2 ILE A 18 26.922 14.746 11.479 1.00 0.00 C ATOM 270 CD1 ILE A 18 25.604 14.063 8.902 1.00 0.00 C ATOM 0 H ILE A 18 28.834 12.460 10.408 1.00 0.00 H new ATOM 0 HA ILE A 18 27.201 12.414 12.964 1.00 0.00 H new ATOM 0 HB ILE A 18 25.396 13.221 11.445 1.00 0.00 H new ATOM 0 HG12 ILE A 18 27.575 13.268 9.304 1.00 0.00 H new ATOM 0 HG13 ILE A 18 26.297 12.073 9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 18 26.309 15.478 10.952 1.00 0.00 H new ATOM 0 HG22 ILE A 18 26.841 14.911 12.553 1.00 0.00 H new ATOM 0 HG23 ILE A 18 27.962 14.856 11.172 1.00 0.00 H new ATOM 0 HD11 ILE A 18 25.682 13.902 7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 18 24.579 13.878 9.223 1.00 0.00 H new ATOM 0 HD13 ILE A 18 25.877 15.092 9.135 1.00 0.00 H new ATOM 282 N GLY A 19 25.718 10.478 11.959 1.00 0.00 N ATOM 283 CA GLY A 19 25.255 9.093 11.660 1.00 0.00 C ATOM 284 C GLY A 19 25.288 8.850 10.151 1.00 0.00 C ATOM 285 O GLY A 19 25.788 7.847 9.684 1.00 0.00 O ATOM 0 H GLY A 19 25.066 11.046 12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.892 8.369 12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 19 24.243 8.948 12.039 1.00 0.00 H new ATOM 289 N LEU A 20 24.752 9.757 9.391 1.00 0.00 N ATOM 290 CA LEU A 20 24.745 9.578 7.910 1.00 0.00 C ATOM 291 C LEU A 20 26.110 9.083 7.431 1.00 0.00 C ATOM 292 O LEU A 20 26.209 8.277 6.527 1.00 0.00 O ATOM 293 CB LEU A 20 24.454 10.964 7.335 1.00 0.00 C ATOM 294 CG LEU A 20 23.063 11.428 7.771 1.00 0.00 C ATOM 295 CD1 LEU A 20 22.862 12.881 7.335 1.00 0.00 C ATOM 296 CD2 LEU A 20 21.995 10.547 7.117 1.00 0.00 C ATOM 0 H LEU A 20 24.317 10.616 9.727 1.00 0.00 H new ATOM 0 HA LEU A 20 24.005 8.843 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 20 25.207 11.674 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 20 24.513 10.935 6.247 1.00 0.00 H new ATOM 0 HG LEU A 20 22.976 11.351 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 20 21.872 13.219 7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 20 23.621 13.509 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.949 12.951 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.006 10.881 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.076 10.621 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.141 9.511 7.422 1.00 0.00 H new ATOM 308 N PHE A 21 27.161 9.565 8.027 1.00 0.00 N ATOM 309 CA PHE A 21 28.523 9.131 7.605 1.00 0.00 C ATOM 310 C PHE A 21 29.057 8.053 8.550 1.00 0.00 C ATOM 311 O PHE A 21 29.265 8.292 9.723 1.00 0.00 O ATOM 312 CB PHE A 21 29.384 10.390 7.698 1.00 0.00 C ATOM 313 CG PHE A 21 29.060 11.309 6.545 1.00 0.00 C ATOM 314 CD1 PHE A 21 29.748 11.182 5.334 1.00 0.00 C ATOM 315 CD2 PHE A 21 28.069 12.288 6.690 1.00 0.00 C ATOM 316 CE1 PHE A 21 29.445 12.035 4.265 1.00 0.00 C ATOM 317 CE2 PHE A 21 27.766 13.140 5.622 1.00 0.00 C ATOM 318 CZ PHE A 21 28.454 13.014 4.410 1.00 0.00 C ATOM 0 H PHE A 21 27.138 10.242 8.790 1.00 0.00 H new ATOM 0 HA PHE A 21 28.524 8.703 6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 21 29.202 10.899 8.645 1.00 0.00 H new ATOM 0 HB3 PHE A 21 30.441 10.123 7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 21 30.512 10.427 5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 21 27.539 12.385 7.626 1.00 0.00 H new ATOM 0 HE1 PHE A 21 29.975 11.938 3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 21 27.001 13.895 5.733 1.00 0.00 H new ATOM 0 HZ PHE A 21 28.221 13.672 3.586 1.00 0.00 H new ATOM 328 N HIS A 22 29.289 6.871 8.050 1.00 0.00 N ATOM 329 CA HIS A 22 29.821 5.788 8.924 1.00 0.00 C ATOM 330 C HIS A 22 31.280 6.082 9.273 1.00 0.00 C ATOM 331 O HIS A 22 32.060 6.483 8.431 1.00 0.00 O ATOM 332 CB HIS A 22 29.709 4.513 8.089 1.00 0.00 C ATOM 333 CG HIS A 22 30.040 3.320 8.943 1.00 0.00 C ATOM 334 ND1 HIS A 22 29.161 2.828 9.894 1.00 0.00 N ATOM 335 CD2 HIS A 22 31.148 2.511 9.001 1.00 0.00 C ATOM 336 CE1 HIS A 22 29.750 1.769 10.480 1.00 0.00 C ATOM 337 NE2 HIS A 22 30.963 1.533 9.973 1.00 0.00 N ATOM 0 H HIS A 22 29.134 6.608 7.077 1.00 0.00 H new ATOM 0 HA HIS A 22 29.276 5.700 9.864 1.00 0.00 H new ATOM 0 HB2 HIS A 22 28.700 4.417 7.687 1.00 0.00 H new ATOM 0 HB3 HIS A 22 30.388 4.563 7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 22 32.029 2.618 8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 22 29.297 1.181 11.265 1.00 0.00 H new ATOM 0 HE2 HIS A 22 31.614 0.795 10.241 1.00 0.00 H new ATOM 345 N LYS A 23 31.659 5.895 10.507 1.00 0.00 N ATOM 346 CA LYS A 23 33.070 6.176 10.898 1.00 0.00 C ATOM 347 C LYS A 23 33.950 4.951 10.644 1.00 0.00 C ATOM 348 O LYS A 23 33.971 4.016 11.421 1.00 0.00 O ATOM 349 CB LYS A 23 33.016 6.493 12.392 1.00 0.00 C ATOM 350 CG LYS A 23 34.436 6.740 12.905 1.00 0.00 C ATOM 351 CD LYS A 23 34.392 7.064 14.398 1.00 0.00 C ATOM 352 CE LYS A 23 35.814 7.325 14.902 1.00 0.00 C ATOM 353 NZ LYS A 23 35.639 7.781 16.308 1.00 0.00 N ATOM 0 H LYS A 23 31.056 5.561 11.259 1.00 0.00 H new ATOM 0 HA LYS A 23 33.497 6.997 10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 23 32.395 7.372 12.567 1.00 0.00 H new ATOM 0 HB3 LYS A 23 32.559 5.666 12.935 1.00 0.00 H new ATOM 0 HG2 LYS A 23 35.055 5.859 12.732 1.00 0.00 H new ATOM 0 HG3 LYS A 23 34.893 7.564 12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 23 33.766 7.939 14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 23 33.945 6.236 14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 23 36.424 6.423 14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 23 36.315 8.083 14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 36.418 8.420 16.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 34.734 8.285 16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 35.642 6.957 16.943 1.00 0.00 H new ATOM 367 N ILE A 24 34.686 4.955 9.567 1.00 0.00 N ATOM 368 CA ILE A 24 35.576 3.797 9.265 1.00 0.00 C ATOM 369 C ILE A 24 36.637 3.659 10.358 1.00 0.00 C ATOM 370 O ILE A 24 36.953 2.573 10.802 1.00 0.00 O ATOM 371 CB ILE A 24 36.227 4.138 7.924 1.00 0.00 C ATOM 372 CG1 ILE A 24 37.164 3.005 7.503 1.00 0.00 C ATOM 373 CG2 ILE A 24 37.028 5.435 8.063 1.00 0.00 C ATOM 374 CD1 ILE A 24 37.450 3.111 6.003 1.00 0.00 C ATOM 0 H ILE A 24 34.710 5.710 8.882 1.00 0.00 H new ATOM 0 HA ILE A 24 35.033 2.853 9.223 1.00 0.00 H new ATOM 0 HB ILE A 24 35.452 4.265 7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 38.095 3.060 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 24 36.711 2.040 7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 24 37.493 5.680 7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 24 36.361 6.244 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 24 37.801 5.306 8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 24 38.118 2.304 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 24 36.515 3.034 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 24 37.921 4.070 5.789 1.00 0.00 H new ATOM 386 N GLY A 25 37.187 4.758 10.798 1.00 0.00 N ATOM 387 CA GLY A 25 38.224 4.705 11.865 1.00 0.00 C ATOM 388 C GLY A 25 38.308 6.068 12.554 1.00 0.00 C ATOM 389 O GLY A 25 37.306 6.653 12.916 1.00 0.00 O ATOM 0 H GLY A 25 36.961 5.694 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 25 37.976 3.932 12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 25 39.191 4.441 11.436 1.00 0.00 H new ATOM 393 N THR A 26 39.494 6.582 12.734 1.00 0.00 N ATOM 394 CA THR A 26 39.639 7.910 13.397 1.00 0.00 C ATOM 395 C THR A 26 40.707 8.740 12.681 1.00 0.00 C ATOM 396 O THR A 26 41.747 8.236 12.304 1.00 0.00 O ATOM 397 CB THR A 26 40.078 7.593 14.827 1.00 0.00 C ATOM 398 OG1 THR A 26 41.392 7.052 14.808 1.00 0.00 O ATOM 399 CG2 THR A 26 39.118 6.578 15.450 1.00 0.00 C ATOM 0 H THR A 26 40.369 6.140 12.451 1.00 0.00 H new ATOM 0 HA THR A 26 38.715 8.488 13.373 1.00 0.00 H new ATOM 0 HB THR A 26 40.067 8.508 15.419 1.00 0.00 H new ATOM 0 HG1 THR A 26 41.787 7.182 13.920 1.00 0.00 H new ATOM 0 HG21 THR A 26 39.435 6.355 16.469 1.00 0.00 H new ATOM 0 HG22 THR A 26 38.110 6.993 15.466 1.00 0.00 H new ATOM 0 HG23 THR A 26 39.124 5.662 14.860 1.00 0.00 H new ATOM 407 N CYS A 27 40.464 10.009 12.493 1.00 0.00 N ATOM 408 CA CYS A 27 41.472 10.865 11.807 1.00 0.00 C ATOM 409 C CYS A 27 42.294 11.619 12.844 1.00 0.00 C ATOM 410 O CYS A 27 42.357 11.244 13.998 1.00 0.00 O ATOM 411 CB CYS A 27 40.662 11.848 10.959 1.00 0.00 C ATOM 412 SG CYS A 27 41.585 12.261 9.457 1.00 0.00 S ATOM 0 H CYS A 27 39.612 10.489 12.784 1.00 0.00 H new ATOM 0 HA CYS A 27 42.163 10.281 11.198 1.00 0.00 H new ATOM 0 HB2 CYS A 27 39.699 11.410 10.697 1.00 0.00 H new ATOM 0 HB3 CYS A 27 40.455 12.753 11.531 1.00 0.00 H new ATOM 417 N ASN A 28 42.917 12.682 12.443 1.00 0.00 N ATOM 418 CA ASN A 28 43.730 13.470 13.413 1.00 0.00 C ATOM 419 C ASN A 28 42.880 13.798 14.646 1.00 0.00 C ATOM 420 O ASN A 28 41.671 13.673 14.629 1.00 0.00 O ATOM 421 CB ASN A 28 44.131 14.739 12.663 1.00 0.00 C ATOM 422 CG ASN A 28 42.881 15.539 12.303 1.00 0.00 C ATOM 423 OD1 ASN A 28 42.170 15.997 13.174 1.00 0.00 O ATOM 424 ND2 ASN A 28 42.580 15.727 11.046 1.00 0.00 N ATOM 0 H ASN A 28 42.903 13.044 11.489 1.00 0.00 H new ATOM 0 HA ASN A 28 44.608 12.929 13.767 1.00 0.00 H new ATOM 0 HB2 ASN A 28 44.796 15.343 13.280 1.00 0.00 H new ATOM 0 HB3 ASN A 28 44.682 14.480 11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 28 41.747 16.259 10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 28 43.178 15.342 10.315 1.00 0.00 H new ATOM 431 N PHE A 29 43.499 14.200 15.723 1.00 0.00 N ATOM 432 CA PHE A 29 42.722 14.513 16.959 1.00 0.00 C ATOM 433 C PHE A 29 41.696 15.627 16.707 1.00 0.00 C ATOM 434 O PHE A 29 40.824 15.867 17.519 1.00 0.00 O ATOM 435 CB PHE A 29 43.762 14.974 17.980 1.00 0.00 C ATOM 436 CG PHE A 29 43.079 15.227 19.303 1.00 0.00 C ATOM 437 CD1 PHE A 29 42.893 14.176 20.207 1.00 0.00 C ATOM 438 CD2 PHE A 29 42.626 16.513 19.622 1.00 0.00 C ATOM 439 CE1 PHE A 29 42.253 14.409 21.431 1.00 0.00 C ATOM 440 CE2 PHE A 29 41.987 16.747 20.847 1.00 0.00 C ATOM 441 CZ PHE A 29 41.800 15.694 21.750 1.00 0.00 C ATOM 0 H PHE A 29 44.508 14.325 15.801 1.00 0.00 H new ATOM 0 HA PHE A 29 42.157 13.646 17.303 1.00 0.00 H new ATOM 0 HB2 PHE A 29 44.537 14.216 18.096 1.00 0.00 H new ATOM 0 HB3 PHE A 29 44.254 15.882 17.631 1.00 0.00 H new ATOM 0 HD1 PHE A 29 43.243 13.184 19.961 1.00 0.00 H new ATOM 0 HD2 PHE A 29 42.769 17.325 18.924 1.00 0.00 H new ATOM 0 HE1 PHE A 29 42.109 13.597 22.128 1.00 0.00 H new ATOM 0 HE2 PHE A 29 41.639 17.739 21.094 1.00 0.00 H new ATOM 0 HZ PHE A 29 41.306 15.873 22.693 1.00 0.00 H new ATOM 451 N ARG A 30 41.788 16.313 15.601 1.00 0.00 N ATOM 452 CA ARG A 30 40.810 17.408 15.329 1.00 0.00 C ATOM 453 C ARG A 30 39.696 16.920 14.393 1.00 0.00 C ATOM 454 O ARG A 30 38.706 17.596 14.193 1.00 0.00 O ATOM 455 CB ARG A 30 41.627 18.516 14.659 1.00 0.00 C ATOM 456 CG ARG A 30 40.707 19.677 14.272 1.00 0.00 C ATOM 457 CD ARG A 30 40.283 20.439 15.531 1.00 0.00 C ATOM 458 NE ARG A 30 39.219 21.377 15.071 1.00 0.00 N ATOM 459 CZ ARG A 30 37.967 21.005 15.093 1.00 0.00 C ATOM 460 NH1 ARG A 30 37.662 19.748 15.265 1.00 0.00 N ATOM 461 NH2 ARG A 30 37.022 21.892 14.942 1.00 0.00 N ATOM 0 H ARG A 30 42.492 16.166 14.878 1.00 0.00 H new ATOM 0 HA ARG A 30 40.322 17.753 16.241 1.00 0.00 H new ATOM 0 HB2 ARG A 30 42.405 18.867 15.337 1.00 0.00 H new ATOM 0 HB3 ARG A 30 42.128 18.126 13.773 1.00 0.00 H new ATOM 0 HG2 ARG A 30 41.222 20.348 13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 30 39.828 19.299 13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 30 39.907 19.760 16.296 1.00 0.00 H new ATOM 0 HD3 ARG A 30 41.123 20.978 15.968 1.00 0.00 H new ATOM 0 HE ARG A 30 39.469 22.309 14.739 1.00 0.00 H new ATOM 0 HH11 ARG A 30 38.401 19.055 15.382 1.00 0.00 H new ATOM 0 HH12 ARG A 30 36.684 19.458 15.282 1.00 0.00 H new ATOM 0 HH21 ARG A 30 37.261 22.874 14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.044 21.603 14.959 1.00 0.00 H new ATOM 475 N PHE A 31 39.844 15.760 13.816 1.00 0.00 N ATOM 476 CA PHE A 31 38.787 15.256 12.894 1.00 0.00 C ATOM 477 C PHE A 31 38.641 13.738 13.019 1.00 0.00 C ATOM 478 O PHE A 31 39.566 13.042 13.387 1.00 0.00 O ATOM 479 CB PHE A 31 39.284 15.625 11.495 1.00 0.00 C ATOM 480 CG PHE A 31 39.221 17.123 11.304 1.00 0.00 C ATOM 481 CD1 PHE A 31 40.314 17.925 11.661 1.00 0.00 C ATOM 482 CD2 PHE A 31 38.071 17.711 10.766 1.00 0.00 C ATOM 483 CE1 PHE A 31 40.254 19.313 11.478 1.00 0.00 C ATOM 484 CE2 PHE A 31 38.012 19.099 10.584 1.00 0.00 C ATOM 485 CZ PHE A 31 39.104 19.899 10.941 1.00 0.00 C ATOM 0 H PHE A 31 40.646 15.142 13.941 1.00 0.00 H new ATOM 0 HA PHE A 31 37.810 15.685 13.117 1.00 0.00 H new ATOM 0 HB2 PHE A 31 40.307 15.275 11.359 1.00 0.00 H new ATOM 0 HB3 PHE A 31 38.675 15.128 10.740 1.00 0.00 H new ATOM 0 HD1 PHE A 31 41.202 17.473 12.077 1.00 0.00 H new ATOM 0 HD2 PHE A 31 37.228 17.094 10.491 1.00 0.00 H new ATOM 0 HE1 PHE A 31 41.097 19.930 11.752 1.00 0.00 H new ATOM 0 HE2 PHE A 31 37.124 19.552 10.168 1.00 0.00 H new ATOM 0 HZ PHE A 31 39.058 20.969 10.802 1.00 0.00 H new ATOM 495 N LYS A 32 37.486 13.220 12.699 1.00 0.00 N ATOM 496 CA LYS A 32 37.281 11.746 12.780 1.00 0.00 C ATOM 497 C LYS A 32 37.237 11.164 11.368 1.00 0.00 C ATOM 498 O LYS A 32 36.923 11.848 10.417 1.00 0.00 O ATOM 499 CB LYS A 32 35.940 11.558 13.484 1.00 0.00 C ATOM 500 CG LYS A 32 36.063 11.999 14.945 1.00 0.00 C ATOM 501 CD LYS A 32 34.836 11.529 15.728 1.00 0.00 C ATOM 502 CE LYS A 32 34.852 12.159 17.122 1.00 0.00 C ATOM 503 NZ LYS A 32 33.557 11.759 17.741 1.00 0.00 N ATOM 0 H LYS A 32 36.676 13.754 12.385 1.00 0.00 H new ATOM 0 HA LYS A 32 38.083 11.241 13.319 1.00 0.00 H new ATOM 0 HB2 LYS A 32 35.168 12.141 12.981 1.00 0.00 H new ATOM 0 HB3 LYS A 32 35.634 10.513 13.433 1.00 0.00 H new ATOM 0 HG2 LYS A 32 36.969 11.584 15.386 1.00 0.00 H new ATOM 0 HG3 LYS A 32 36.149 13.084 15.002 1.00 0.00 H new ATOM 0 HD2 LYS A 32 33.925 11.810 15.200 1.00 0.00 H new ATOM 0 HD3 LYS A 32 34.836 10.442 15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 32 35.697 11.799 17.708 1.00 0.00 H new ATOM 0 HE3 LYS A 32 34.943 13.244 17.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 33.494 12.154 18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 32.770 12.121 17.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 33.501 10.722 17.790 1.00 0.00 H new ATOM 517 N CYS A 33 37.556 9.910 11.219 1.00 0.00 N ATOM 518 CA CYS A 33 37.543 9.298 9.857 1.00 0.00 C ATOM 519 C CYS A 33 36.160 8.724 9.530 1.00 0.00 C ATOM 520 O CYS A 33 35.639 7.887 10.241 1.00 0.00 O ATOM 521 CB CYS A 33 38.595 8.189 9.917 1.00 0.00 C ATOM 522 SG CYS A 33 40.247 8.914 9.748 1.00 0.00 S ATOM 0 H CYS A 33 37.825 9.282 11.977 1.00 0.00 H new ATOM 0 HA CYS A 33 37.761 10.027 9.077 1.00 0.00 H new ATOM 0 HB2 CYS A 33 38.517 7.650 10.861 1.00 0.00 H new ATOM 0 HB3 CYS A 33 38.421 7.464 9.121 1.00 0.00 H new ATOM 527 N CYS A 34 35.564 9.169 8.454 1.00 0.00 N ATOM 528 CA CYS A 34 34.216 8.652 8.072 1.00 0.00 C ATOM 529 C CYS A 34 34.123 8.493 6.550 1.00 0.00 C ATOM 530 O CYS A 34 34.903 9.056 5.809 1.00 0.00 O ATOM 531 CB CYS A 34 33.231 9.718 8.558 1.00 0.00 C ATOM 532 SG CYS A 34 33.194 9.726 10.367 1.00 0.00 S ATOM 0 H CYS A 34 35.953 9.869 7.823 1.00 0.00 H new ATOM 0 HA CYS A 34 34.009 7.675 8.509 1.00 0.00 H new ATOM 0 HB2 CYS A 34 33.527 10.699 8.185 1.00 0.00 H new ATOM 0 HB3 CYS A 34 32.235 9.515 8.164 1.00 0.00 H new ATOM 537 N LYS A 35 33.173 7.729 6.080 1.00 0.00 N ATOM 538 CA LYS A 35 33.031 7.537 4.607 1.00 0.00 C ATOM 539 C LYS A 35 31.549 7.513 4.216 1.00 0.00 C ATOM 540 O LYS A 35 30.688 7.229 5.025 1.00 0.00 O ATOM 541 CB LYS A 35 33.684 6.184 4.318 1.00 0.00 C ATOM 542 CG LYS A 35 32.960 5.091 5.107 1.00 0.00 C ATOM 543 CD LYS A 35 33.543 3.724 4.739 1.00 0.00 C ATOM 544 CE LYS A 35 32.599 2.621 5.220 1.00 0.00 C ATOM 545 NZ LYS A 35 33.132 1.371 4.609 1.00 0.00 N ATOM 0 H LYS A 35 32.490 7.230 6.651 1.00 0.00 H new ATOM 0 HA LYS A 35 33.496 8.343 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.640 5.967 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 35 34.738 6.210 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.068 5.268 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.893 5.114 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 35 33.681 3.654 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.525 3.601 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.588 2.556 6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 35 31.574 2.811 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.538 0.566 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.124 1.460 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.107 1.213 4.935 1.00 0.00 H new ATOM 559 N PHE A 36 31.246 7.810 2.982 1.00 0.00 N ATOM 560 CA PHE A 36 29.821 7.804 2.542 1.00 0.00 C ATOM 561 C PHE A 36 29.561 6.612 1.619 1.00 0.00 C ATOM 562 O PHE A 36 30.339 6.320 0.732 1.00 0.00 O ATOM 563 CB PHE A 36 29.634 9.120 1.784 1.00 0.00 C ATOM 564 CG PHE A 36 28.217 9.211 1.267 1.00 0.00 C ATOM 565 CD1 PHE A 36 27.173 9.552 2.136 1.00 0.00 C ATOM 566 CD2 PHE A 36 27.947 8.959 -0.084 1.00 0.00 C ATOM 567 CE1 PHE A 36 25.861 9.640 1.655 1.00 0.00 C ATOM 568 CE2 PHE A 36 26.635 9.048 -0.565 1.00 0.00 C ATOM 569 CZ PHE A 36 25.592 9.387 0.305 1.00 0.00 C ATOM 0 H PHE A 36 31.923 8.056 2.260 1.00 0.00 H new ATOM 0 HA PHE A 36 29.129 7.715 3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 36 29.847 9.963 2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 36 30.339 9.177 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 36 27.380 9.747 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 36 28.751 8.696 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 36 25.057 9.903 2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 36 26.428 8.855 -1.607 1.00 0.00 H new ATOM 0 HZ PHE A 36 24.580 9.453 -0.066 1.00 0.00 H new ATOM 579 N GLN A 37 28.474 5.920 1.819 1.00 0.00 N ATOM 580 CA GLN A 37 28.168 4.748 0.951 1.00 0.00 C ATOM 581 C GLN A 37 26.677 4.725 0.606 1.00 0.00 C ATOM 582 O GLN A 37 25.925 5.419 1.269 1.00 0.00 O ATOM 583 CB GLN A 37 28.544 3.524 1.788 1.00 0.00 C ATOM 584 CG GLN A 37 28.271 2.252 0.983 1.00 0.00 C ATOM 585 CD GLN A 37 29.357 2.080 -0.079 1.00 0.00 C ATOM 586 OE1 GLN A 37 29.927 3.047 -0.543 1.00 0.00 O ATOM 587 NE2 GLN A 37 29.669 0.880 -0.484 1.00 0.00 N ATOM 588 OXT GLN A 37 26.314 4.011 -0.315 1.00 0.00 O ATOM 0 H GLN A 37 27.785 6.115 2.545 1.00 0.00 H new ATOM 0 HA GLN A 37 28.714 4.778 0.008 1.00 0.00 H new ATOM 0 HB2 GLN A 37 29.596 3.571 2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.968 3.512 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 37 28.254 1.386 1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.291 2.311 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 37 29.189 0.069 -0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 37 30.393 0.753 -1.191 1.00 0.00 H new TER 597 GLN A 37