USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 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 14 GLN : amide:sc= -4.76! C(o=-8.5!,f=-13!) USER MOD Set 1.2: A 33 MET CE :methyl -176:sc= -3.72! (180deg=-3.75!) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.497 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.26) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.322 (180deg=0.224) USER MOD Single : A 36 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.77) USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ -137:sc= 0.542 (180deg=-3.31!) USER MOD Single : B 14 GLN : amide:sc= -2.47 K(o=-2.5,f=-1.9!) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 155:sc= -4.95! (180deg=-9.52!) USER MOD Single : B 35 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0676) USER MOD Single : B 36 GLN : amide:sc= -1.89! K(o=-1.9!,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.391 0.475 -0.742 1.00 13.55 N ATOM 2 CA ALA A 1 0.888 0.307 -1.409 1.00 12.13 C ATOM 3 C ALA A 1 1.688 1.607 -1.304 1.00 44.15 C ATOM 4 O ALA A 1 1.376 2.588 -1.977 1.00 63.15 O ATOM 5 CB ALA A 1 0.656 -0.118 -2.860 1.00 35.23 C ATOM 0 H1 ALA A 1 -0.466 -0.205 0.041 1.00 13.55 H new ATOM 0 H2 ALA A 1 -0.463 1.443 -0.368 1.00 13.55 H new ATOM 0 H3 ALA A 1 -1.161 0.308 -1.421 1.00 13.55 H new ATOM 0 HA ALA A 1 1.470 -0.479 -0.928 1.00 12.13 H new ATOM 0 HB1 ALA A 1 1.616 -0.244 -3.360 1.00 35.23 H new ATOM 0 HB2 ALA A 1 0.110 -1.061 -2.880 1.00 35.23 H new ATOM 0 HB3 ALA A 1 0.076 0.648 -3.375 1.00 35.23 H new ATOM 11 N ASN A 2 2.704 1.572 -0.454 1.00 23.21 N ATOM 12 CA ASN A 2 3.552 2.735 -0.252 1.00 14.43 C ATOM 13 C ASN A 2 3.768 3.441 -1.592 1.00 24.02 C ATOM 14 O ASN A 2 4.029 2.793 -2.604 1.00 72.14 O ATOM 15 CB ASN A 2 4.921 2.330 0.296 1.00 4.34 C ATOM 16 CG ASN A 2 4.776 1.446 1.536 1.00 33.33 C ATOM 17 OD1 ASN A 2 4.074 1.767 2.481 1.00 72.12 O ATOM 18 ND2 ASN A 2 5.476 0.316 1.480 1.00 0.30 N ATOM 0 H ASN A 2 2.959 0.756 0.103 1.00 23.21 H new ATOM 0 HA ASN A 2 3.058 3.393 0.463 1.00 14.43 H new ATOM 0 HB2 ASN A 2 5.481 1.796 -0.472 1.00 4.34 H new ATOM 0 HB3 ASN A 2 5.495 3.222 0.546 1.00 4.34 H new ATOM 0 HD21 ASN A 2 5.445 -0.342 2.258 1.00 0.30 H new ATOM 0 HD22 ASN A 2 6.044 0.108 0.659 1.00 0.30 H new ATOM 25 N GLU A 3 3.655 4.761 -1.554 1.00 40.15 N ATOM 26 CA GLU A 3 3.835 5.561 -2.753 1.00 50.44 C ATOM 27 C GLU A 3 5.195 5.266 -3.389 1.00 42.01 C ATOM 28 O GLU A 3 6.209 5.205 -2.695 1.00 50.45 O ATOM 29 CB GLU A 3 3.688 7.052 -2.444 1.00 43.41 C ATOM 30 CG GLU A 3 3.694 7.883 -3.730 1.00 32.33 C ATOM 31 CD GLU A 3 3.409 9.357 -3.432 1.00 23.20 C ATOM 32 OE1 GLU A 3 3.965 9.914 -2.474 1.00 63.54 O ATOM 33 OE2 GLU A 3 2.579 9.925 -4.238 1.00 33.22 O ATOM 0 H GLU A 3 3.441 5.296 -0.712 1.00 40.15 H new ATOM 0 HA GLU A 3 3.056 5.292 -3.466 1.00 50.44 H new ATOM 0 HB2 GLU A 3 2.759 7.224 -1.900 1.00 43.41 H new ATOM 0 HB3 GLU A 3 4.502 7.374 -1.795 1.00 43.41 H new ATOM 0 HG2 GLU A 3 4.661 7.789 -4.224 1.00 32.33 H new ATOM 0 HG3 GLU A 3 2.944 7.496 -4.421 1.00 32.33 H new ATOM 40 N GLY A 4 5.172 5.088 -4.702 1.00 70.11 N ATOM 41 CA GLY A 4 6.391 4.800 -5.440 1.00 74.14 C ATOM 42 C GLY A 4 6.694 3.301 -5.432 1.00 24.20 C ATOM 43 O GLY A 4 7.842 2.895 -5.614 1.00 33.55 O ATOM 0 H GLY A 4 4.329 5.138 -5.274 1.00 70.11 H new ATOM 0 HA2 GLY A 4 6.289 5.149 -6.468 1.00 74.14 H new ATOM 0 HA3 GLY A 4 7.225 5.346 -4.999 1.00 74.14 H new ATOM 47 N ASP A 5 5.646 2.518 -5.220 1.00 2.22 N ATOM 48 CA ASP A 5 5.787 1.072 -5.186 1.00 24.15 C ATOM 49 C ASP A 5 5.421 0.496 -6.555 1.00 43.34 C ATOM 50 O ASP A 5 4.574 1.045 -7.257 1.00 60.32 O ATOM 51 CB ASP A 5 4.851 0.452 -4.147 1.00 33.12 C ATOM 52 CG ASP A 5 5.388 0.445 -2.715 1.00 24.13 C ATOM 53 OD1 ASP A 5 6.350 1.157 -2.390 1.00 3.12 O ATOM 54 OD2 ASP A 5 4.768 -0.344 -1.904 1.00 0.10 O ATOM 0 H ASP A 5 4.696 2.858 -5.070 1.00 2.22 H new ATOM 0 HA ASP A 5 6.820 0.840 -4.926 1.00 24.15 H new ATOM 0 HB2 ASP A 5 3.906 0.995 -4.162 1.00 33.12 H new ATOM 0 HB3 ASP A 5 4.634 -0.574 -4.442 1.00 33.12 H new ATOM 59 N VAL A 6 6.079 -0.603 -6.895 1.00 22.33 N ATOM 60 CA VAL A 6 5.834 -1.259 -8.167 1.00 60.02 C ATOM 61 C VAL A 6 5.196 -2.627 -7.917 1.00 54.11 C ATOM 62 O VAL A 6 5.625 -3.363 -7.030 1.00 61.15 O ATOM 63 CB VAL A 6 7.133 -1.344 -8.971 1.00 73.15 C ATOM 64 CG1 VAL A 6 7.081 -2.497 -9.976 1.00 4.15 C ATOM 65 CG2 VAL A 6 7.431 -0.018 -9.674 1.00 23.13 C ATOM 0 H VAL A 6 6.782 -1.055 -6.311 1.00 22.33 H new ATOM 0 HA VAL A 6 5.133 -0.678 -8.767 1.00 60.02 H new ATOM 0 HB VAL A 6 7.946 -1.543 -8.273 1.00 73.15 H new ATOM 0 HG11 VAL A 6 8.016 -2.535 -10.534 1.00 4.15 H new ATOM 0 HG12 VAL A 6 6.937 -3.437 -9.444 1.00 4.15 H new ATOM 0 HG13 VAL A 6 6.252 -2.341 -10.667 1.00 4.15 H new ATOM 0 HG21 VAL A 6 8.359 -0.106 -10.238 1.00 23.13 H new ATOM 0 HG22 VAL A 6 6.615 0.225 -10.354 1.00 23.13 H new ATOM 0 HG23 VAL A 6 7.531 0.773 -8.931 1.00 23.13 H new ATOM 75 N TYR A 7 4.180 -2.925 -8.713 1.00 13.22 N ATOM 76 CA TYR A 7 3.477 -4.191 -8.589 1.00 2.21 C ATOM 77 C TYR A 7 3.445 -4.934 -9.925 1.00 44.15 C ATOM 78 O TYR A 7 3.409 -4.310 -10.985 1.00 74.43 O ATOM 79 CB TYR A 7 2.046 -3.841 -8.178 1.00 75.22 C ATOM 80 CG TYR A 7 1.852 -3.681 -6.669 1.00 22.42 C ATOM 81 CD1 TYR A 7 2.500 -2.667 -5.993 1.00 73.35 C ATOM 82 CD2 TYR A 7 1.029 -4.552 -5.984 1.00 3.25 C ATOM 83 CE1 TYR A 7 2.317 -2.518 -4.573 1.00 5.41 C ATOM 84 CE2 TYR A 7 0.847 -4.402 -4.563 1.00 20.20 C ATOM 85 CZ TYR A 7 1.500 -3.392 -3.928 1.00 32.24 C ATOM 86 OH TYR A 7 1.328 -3.250 -2.586 1.00 53.31 O ATOM 0 H TYR A 7 3.826 -2.311 -9.447 1.00 13.22 H new ATOM 0 HA TYR A 7 3.974 -4.836 -7.864 1.00 2.21 H new ATOM 0 HB2 TYR A 7 1.754 -2.914 -8.672 1.00 75.22 H new ATOM 0 HB3 TYR A 7 1.375 -4.620 -8.539 1.00 75.22 H new ATOM 0 HD1 TYR A 7 3.144 -1.986 -6.529 1.00 73.35 H new ATOM 0 HD2 TYR A 7 0.522 -5.345 -6.513 1.00 3.25 H new ATOM 0 HE1 TYR A 7 2.818 -1.729 -4.032 1.00 5.41 H new ATOM 0 HE2 TYR A 7 0.206 -5.076 -4.014 1.00 20.20 H new ATOM 0 HH TYR A 7 0.717 -3.943 -2.259 1.00 53.31 H new ATOM 96 N LYS A 8 3.459 -6.255 -9.832 1.00 63.32 N ATOM 97 CA LYS A 8 3.433 -7.089 -11.022 1.00 33.52 C ATOM 98 C LYS A 8 2.403 -8.206 -10.833 1.00 2.44 C ATOM 99 O LYS A 8 2.193 -8.679 -9.717 1.00 73.24 O ATOM 100 CB LYS A 8 4.837 -7.598 -11.351 1.00 62.12 C ATOM 101 CG LYS A 8 4.828 -8.445 -12.625 1.00 61.45 C ATOM 102 CD LYS A 8 6.228 -8.978 -12.940 1.00 44.15 C ATOM 103 CE LYS A 8 6.230 -9.780 -14.243 1.00 53.23 C ATOM 104 NZ LYS A 8 7.610 -9.934 -14.754 1.00 53.45 N ATOM 0 H LYS A 8 3.488 -6.769 -8.951 1.00 63.32 H new ATOM 0 HA LYS A 8 3.119 -6.507 -11.888 1.00 33.52 H new ATOM 0 HB2 LYS A 8 5.514 -6.753 -11.476 1.00 62.12 H new ATOM 0 HB3 LYS A 8 5.217 -8.190 -10.519 1.00 62.12 H new ATOM 0 HG2 LYS A 8 4.136 -9.279 -12.507 1.00 61.45 H new ATOM 0 HG3 LYS A 8 4.466 -7.847 -13.461 1.00 61.45 H new ATOM 0 HD2 LYS A 8 6.928 -8.146 -13.020 1.00 44.15 H new ATOM 0 HD3 LYS A 8 6.574 -9.608 -12.121 1.00 44.15 H new ATOM 0 HE2 LYS A 8 5.787 -10.761 -14.074 1.00 53.23 H new ATOM 0 HE3 LYS A 8 5.614 -9.276 -14.988 1.00 53.23 H new ATOM 0 HZ1 LYS A 8 7.594 -10.481 -15.639 1.00 53.45 H new ATOM 0 HZ2 LYS A 8 8.020 -8.995 -14.934 1.00 53.45 H new ATOM 0 HZ3 LYS A 8 8.188 -10.434 -14.049 1.00 53.45 H new ATOM 117 N CYS A 9 1.788 -8.594 -11.940 1.00 50.05 N ATOM 118 CA CYS A 9 0.786 -9.646 -11.912 1.00 1.35 C ATOM 119 C CYS A 9 1.506 -10.995 -11.864 1.00 43.30 C ATOM 120 O CYS A 9 2.659 -11.102 -12.281 1.00 14.14 O ATOM 121 CB CYS A 9 -0.169 -9.550 -13.103 1.00 2.24 C ATOM 122 SG CYS A 9 -1.750 -10.453 -12.894 1.00 2.42 S ATOM 0 H CYS A 9 1.964 -8.198 -12.863 1.00 50.05 H new ATOM 0 HA CYS A 9 0.165 -9.536 -11.023 1.00 1.35 H new ATOM 0 HB2 CYS A 9 -0.389 -8.499 -13.291 1.00 2.24 H new ATOM 0 HB3 CYS A 9 0.338 -9.933 -13.989 1.00 2.24 H new ATOM 127 N GLU A 10 0.797 -11.990 -11.354 1.00 24.31 N ATOM 128 CA GLU A 10 1.354 -13.329 -11.248 1.00 2.55 C ATOM 129 C GLU A 10 0.771 -14.235 -12.334 1.00 1.23 C ATOM 130 O GLU A 10 0.725 -15.453 -12.172 1.00 14.11 O ATOM 131 CB GLU A 10 1.111 -13.914 -9.855 1.00 34.14 C ATOM 132 CG GLU A 10 2.222 -13.507 -8.886 1.00 33.11 C ATOM 133 CD GLU A 10 3.538 -14.206 -9.235 1.00 54.12 C ATOM 134 OE1 GLU A 10 3.714 -14.662 -10.375 1.00 33.30 O ATOM 135 OE2 GLU A 10 4.395 -14.266 -8.273 1.00 72.23 O ATOM 0 H GLU A 10 -0.158 -11.897 -11.009 1.00 24.31 H new ATOM 0 HA GLU A 10 2.432 -13.266 -11.397 1.00 2.55 H new ATOM 0 HB2 GLU A 10 0.149 -13.570 -9.475 1.00 34.14 H new ATOM 0 HB3 GLU A 10 1.059 -15.001 -9.918 1.00 34.14 H new ATOM 0 HG2 GLU A 10 2.360 -12.426 -8.919 1.00 33.11 H new ATOM 0 HG3 GLU A 10 1.931 -13.760 -7.867 1.00 33.11 H new ATOM 142 N LEU A 11 0.341 -13.604 -13.417 1.00 21.35 N ATOM 143 CA LEU A 11 -0.237 -14.338 -14.530 1.00 34.15 C ATOM 144 C LEU A 11 0.056 -13.594 -15.833 1.00 64.44 C ATOM 145 O LEU A 11 0.876 -14.040 -16.635 1.00 2.52 O ATOM 146 CB LEU A 11 -1.727 -14.592 -14.288 1.00 11.34 C ATOM 147 CG LEU A 11 -2.591 -14.756 -15.540 1.00 25.14 C ATOM 148 CD1 LEU A 11 -2.357 -16.120 -16.192 1.00 61.32 C ATOM 149 CD2 LEU A 11 -4.068 -14.520 -15.222 1.00 10.11 C ATOM 0 H LEU A 11 0.381 -12.593 -13.547 1.00 21.35 H new ATOM 0 HA LEU A 11 0.221 -15.323 -14.616 1.00 34.15 H new ATOM 0 HB2 LEU A 11 -1.828 -15.491 -13.681 1.00 11.34 H new ATOM 0 HB3 LEU A 11 -2.126 -13.765 -13.701 1.00 11.34 H new ATOM 0 HG LEU A 11 -2.292 -13.997 -16.263 1.00 25.14 H new ATOM 0 HD11 LEU A 11 -2.983 -16.211 -17.080 1.00 61.32 H new ATOM 0 HD12 LEU A 11 -1.309 -16.212 -16.476 1.00 61.32 H new ATOM 0 HD13 LEU A 11 -2.612 -16.910 -15.485 1.00 61.32 H new ATOM 0 HD21 LEU A 11 -4.660 -14.643 -16.129 1.00 10.11 H new ATOM 0 HD22 LEU A 11 -4.398 -15.240 -14.473 1.00 10.11 H new ATOM 0 HD23 LEU A 11 -4.200 -13.509 -14.837 1.00 10.11 H new ATOM 161 N CYS A 12 -0.629 -12.473 -16.006 1.00 24.54 N ATOM 162 CA CYS A 12 -0.451 -11.663 -17.199 1.00 1.25 C ATOM 163 C CYS A 12 0.940 -11.030 -17.145 1.00 44.43 C ATOM 164 O CYS A 12 1.404 -10.458 -18.132 1.00 71.33 O ATOM 165 CB CYS A 12 -1.553 -10.611 -17.336 1.00 20.30 C ATOM 166 SG CYS A 12 -1.414 -9.198 -16.181 1.00 60.52 S ATOM 0 H CYS A 12 -1.309 -12.107 -15.339 1.00 24.54 H new ATOM 0 HA CYS A 12 -0.528 -12.292 -18.086 1.00 1.25 H new ATOM 0 HB2 CYS A 12 -1.547 -10.229 -18.357 1.00 20.30 H new ATOM 0 HB3 CYS A 12 -2.518 -11.094 -17.182 1.00 20.30 H new ATOM 171 N GLY A 13 1.568 -11.151 -15.985 1.00 54.33 N ATOM 172 CA GLY A 13 2.897 -10.597 -15.791 1.00 11.03 C ATOM 173 C GLY A 13 2.929 -9.110 -16.150 1.00 61.05 C ATOM 174 O GLY A 13 3.863 -8.645 -16.802 1.00 5.45 O ATOM 0 H GLY A 13 1.181 -11.625 -15.169 1.00 54.33 H new ATOM 0 HA2 GLY A 13 3.203 -10.731 -14.753 1.00 11.03 H new ATOM 0 HA3 GLY A 13 3.614 -11.139 -16.407 1.00 11.03 H new ATOM 178 N GLN A 14 1.897 -8.405 -15.711 1.00 53.13 N ATOM 179 CA GLN A 14 1.794 -6.980 -15.979 1.00 22.32 C ATOM 180 C GLN A 14 2.412 -6.180 -14.831 1.00 41.10 C ATOM 181 O GLN A 14 2.069 -6.389 -13.668 1.00 63.34 O ATOM 182 CB GLN A 14 0.339 -6.570 -16.214 1.00 5.51 C ATOM 183 CG GLN A 14 0.192 -5.046 -16.207 1.00 23.33 C ATOM 184 CD GLN A 14 -0.777 -4.594 -15.114 1.00 14.05 C ATOM 185 OE1 GLN A 14 -0.390 -4.053 -14.090 1.00 75.04 O ATOM 186 NE2 GLN A 14 -2.055 -4.846 -15.385 1.00 43.34 N ATOM 0 H GLN A 14 1.124 -8.794 -15.171 1.00 53.13 H new ATOM 0 HA GLN A 14 2.350 -6.759 -16.890 1.00 22.32 H new ATOM 0 HB2 GLN A 14 -0.005 -6.968 -17.169 1.00 5.51 H new ATOM 0 HB3 GLN A 14 -0.295 -7.004 -15.440 1.00 5.51 H new ATOM 0 HG2 GLN A 14 1.166 -4.584 -16.048 1.00 23.33 H new ATOM 0 HG3 GLN A 14 -0.167 -4.707 -17.179 1.00 23.33 H new ATOM 0 HE21 GLN A 14 -2.310 -5.302 -16.261 1.00 43.34 H new ATOM 0 HE22 GLN A 14 -2.779 -4.583 -14.717 1.00 43.34 H new ATOM 195 N VAL A 15 3.311 -5.279 -15.197 1.00 3.03 N ATOM 196 CA VAL A 15 3.980 -4.445 -14.213 1.00 4.34 C ATOM 197 C VAL A 15 3.364 -3.045 -14.233 1.00 52.00 C ATOM 198 O VAL A 15 3.091 -2.498 -15.301 1.00 20.44 O ATOM 199 CB VAL A 15 5.489 -4.438 -14.470 1.00 13.25 C ATOM 200 CG1 VAL A 15 6.239 -3.782 -13.309 1.00 24.51 C ATOM 201 CG2 VAL A 15 6.007 -5.854 -14.728 1.00 32.41 C ATOM 0 H VAL A 15 3.592 -5.108 -16.162 1.00 3.03 H new ATOM 0 HA VAL A 15 3.837 -4.849 -13.211 1.00 4.34 H new ATOM 0 HB VAL A 15 5.674 -3.845 -15.366 1.00 13.25 H new ATOM 0 HG11 VAL A 15 7.309 -3.790 -13.516 1.00 24.51 H new ATOM 0 HG12 VAL A 15 5.900 -2.753 -13.192 1.00 24.51 H new ATOM 0 HG13 VAL A 15 6.043 -4.335 -12.391 1.00 24.51 H new ATOM 0 HG21 VAL A 15 7.082 -5.821 -14.908 1.00 32.41 H new ATOM 0 HG22 VAL A 15 5.803 -6.480 -13.859 1.00 32.41 H new ATOM 0 HG23 VAL A 15 5.506 -6.271 -15.601 1.00 32.41 H new ATOM 211 N VAL A 16 3.162 -2.504 -13.040 1.00 22.15 N ATOM 212 CA VAL A 16 2.583 -1.179 -12.907 1.00 41.23 C ATOM 213 C VAL A 16 3.225 -0.463 -11.717 1.00 35.22 C ATOM 214 O VAL A 16 3.855 -1.098 -10.873 1.00 0.32 O ATOM 215 CB VAL A 16 1.061 -1.281 -12.793 1.00 75.35 C ATOM 216 CG1 VAL A 16 0.430 -1.599 -14.151 1.00 13.22 C ATOM 217 CG2 VAL A 16 0.657 -2.321 -11.745 1.00 42.43 C ATOM 0 H VAL A 16 3.389 -2.960 -12.157 1.00 22.15 H new ATOM 0 HA VAL A 16 2.789 -0.582 -13.795 1.00 41.23 H new ATOM 0 HB VAL A 16 0.684 -0.312 -12.466 1.00 75.35 H new ATOM 0 HG11 VAL A 16 -0.652 -1.666 -14.042 1.00 13.22 H new ATOM 0 HG12 VAL A 16 0.675 -0.808 -14.860 1.00 13.22 H new ATOM 0 HG13 VAL A 16 0.817 -2.549 -14.519 1.00 13.22 H new ATOM 0 HG21 VAL A 16 -0.430 -2.373 -11.684 1.00 42.43 H new ATOM 0 HG22 VAL A 16 1.052 -3.296 -12.029 1.00 42.43 H new ATOM 0 HG23 VAL A 16 1.061 -2.035 -10.774 1.00 42.43 H new ATOM 227 N LYS A 17 3.040 0.849 -11.686 1.00 23.31 N ATOM 228 CA LYS A 17 3.593 1.656 -10.613 1.00 11.53 C ATOM 229 C LYS A 17 2.450 2.301 -9.825 1.00 22.45 C ATOM 230 O LYS A 17 1.347 2.462 -10.344 1.00 74.10 O ATOM 231 CB LYS A 17 4.603 2.664 -11.166 1.00 54.20 C ATOM 232 CG LYS A 17 5.484 3.227 -10.049 1.00 43.22 C ATOM 233 CD LYS A 17 6.173 4.520 -10.493 1.00 35.54 C ATOM 234 CE LYS A 17 7.614 4.576 -9.982 1.00 72.32 C ATOM 235 NZ LYS A 17 7.826 5.790 -9.162 1.00 71.23 N ATOM 0 H LYS A 17 2.515 1.372 -12.387 1.00 23.31 H new ATOM 0 HA LYS A 17 4.150 1.031 -9.915 1.00 11.53 H new ATOM 0 HB2 LYS A 17 5.227 2.183 -11.919 1.00 54.20 H new ATOM 0 HB3 LYS A 17 4.075 3.478 -11.663 1.00 54.20 H new ATOM 0 HG2 LYS A 17 4.877 3.419 -9.164 1.00 43.22 H new ATOM 0 HG3 LYS A 17 6.235 2.489 -9.766 1.00 43.22 H new ATOM 0 HD2 LYS A 17 6.166 4.585 -11.581 1.00 35.54 H new ATOM 0 HD3 LYS A 17 5.617 5.380 -10.119 1.00 35.54 H new ATOM 0 HE2 LYS A 17 7.831 3.687 -9.389 1.00 72.32 H new ATOM 0 HE3 LYS A 17 8.305 4.574 -10.825 1.00 72.32 H new ATOM 0 HZ1 LYS A 17 8.809 5.813 -8.823 1.00 71.23 H new ATOM 0 HZ2 LYS A 17 7.639 6.635 -9.738 1.00 71.23 H new ATOM 0 HZ3 LYS A 17 7.179 5.776 -8.348 1.00 71.23 H new ATOM 248 N VAL A 18 2.754 2.653 -8.584 1.00 60.32 N ATOM 249 CA VAL A 18 1.766 3.276 -7.720 1.00 21.03 C ATOM 250 C VAL A 18 2.127 4.750 -7.520 1.00 10.11 C ATOM 251 O VAL A 18 2.839 5.096 -6.579 1.00 52.41 O ATOM 252 CB VAL A 18 1.660 2.503 -6.404 1.00 62.34 C ATOM 253 CG1 VAL A 18 0.791 3.255 -5.394 1.00 11.31 C ATOM 254 CG2 VAL A 18 1.127 1.089 -6.640 1.00 23.43 C ATOM 0 H VAL A 18 3.670 2.519 -8.157 1.00 60.32 H new ATOM 0 HA VAL A 18 0.779 3.242 -8.182 1.00 21.03 H new ATOM 0 HB VAL A 18 2.662 2.418 -5.985 1.00 62.34 H new ATOM 0 HG11 VAL A 18 0.732 2.683 -4.468 1.00 11.31 H new ATOM 0 HG12 VAL A 18 1.231 4.231 -5.191 1.00 11.31 H new ATOM 0 HG13 VAL A 18 -0.211 3.387 -5.803 1.00 11.31 H new ATOM 0 HG21 VAL A 18 1.061 0.561 -5.688 1.00 23.43 H new ATOM 0 HG22 VAL A 18 0.137 1.144 -7.093 1.00 23.43 H new ATOM 0 HG23 VAL A 18 1.802 0.552 -7.307 1.00 23.43 H new ATOM 264 N LEU A 19 1.618 5.577 -8.421 1.00 43.54 N ATOM 265 CA LEU A 19 1.878 7.005 -8.356 1.00 13.42 C ATOM 266 C LEU A 19 1.076 7.613 -7.203 1.00 62.12 C ATOM 267 O LEU A 19 1.582 8.463 -6.471 1.00 15.21 O ATOM 268 CB LEU A 19 1.602 7.663 -9.710 1.00 40.21 C ATOM 269 CG LEU A 19 2.469 8.874 -10.056 1.00 1.30 C ATOM 270 CD1 LEU A 19 2.176 10.045 -9.115 1.00 2.21 C ATOM 271 CD2 LEU A 19 3.953 8.503 -10.064 1.00 60.22 C ATOM 0 H LEU A 19 1.027 5.286 -9.200 1.00 43.54 H new ATOM 0 HA LEU A 19 2.931 7.191 -8.146 1.00 13.42 H new ATOM 0 HB2 LEU A 19 1.733 6.913 -10.490 1.00 40.21 H new ATOM 0 HB3 LEU A 19 0.557 7.970 -9.736 1.00 40.21 H new ATOM 0 HG LEU A 19 2.214 9.199 -11.065 1.00 1.30 H new ATOM 0 HD11 LEU A 19 2.806 10.893 -9.383 1.00 2.21 H new ATOM 0 HD12 LEU A 19 1.127 10.329 -9.204 1.00 2.21 H new ATOM 0 HD13 LEU A 19 2.386 9.747 -8.088 1.00 2.21 H new ATOM 0 HD21 LEU A 19 4.547 9.383 -10.313 1.00 60.22 H new ATOM 0 HD22 LEU A 19 4.242 8.137 -9.079 1.00 60.22 H new ATOM 0 HD23 LEU A 19 4.129 7.724 -10.806 1.00 60.22 H new ATOM 283 N GLU A 20 -0.160 7.153 -7.077 1.00 21.11 N ATOM 284 CA GLU A 20 -1.036 7.640 -6.025 1.00 3.20 C ATOM 285 C GLU A 20 -1.829 6.482 -5.415 1.00 63.03 C ATOM 286 O GLU A 20 -2.466 5.715 -6.135 1.00 62.45 O ATOM 287 CB GLU A 20 -1.973 8.729 -6.553 1.00 31.41 C ATOM 288 CG GLU A 20 -1.208 10.025 -6.829 1.00 33.43 C ATOM 289 CD GLU A 20 -1.919 10.864 -7.893 1.00 33.14 C ATOM 290 OE1 GLU A 20 -3.128 11.114 -7.779 1.00 53.32 O ATOM 291 OE2 GLU A 20 -1.169 11.263 -8.863 1.00 43.42 O ATOM 0 H GLU A 20 -0.576 6.448 -7.686 1.00 21.11 H new ATOM 0 HA GLU A 20 -0.420 8.084 -5.243 1.00 3.20 H new ATOM 0 HB2 GLU A 20 -2.456 8.386 -7.468 1.00 31.41 H new ATOM 0 HB3 GLU A 20 -2.764 8.917 -5.827 1.00 31.41 H new ATOM 0 HG2 GLU A 20 -1.116 10.601 -5.908 1.00 33.43 H new ATOM 0 HG3 GLU A 20 -0.196 9.791 -7.161 1.00 33.43 H new ATOM 298 N GLU A 21 -1.763 6.393 -4.095 1.00 72.44 N ATOM 299 CA GLU A 21 -2.467 5.341 -3.381 1.00 4.33 C ATOM 300 C GLU A 21 -3.962 5.658 -3.309 1.00 22.24 C ATOM 301 O GLU A 21 -4.362 6.815 -3.428 1.00 32.34 O ATOM 302 CB GLU A 21 -1.881 5.142 -1.981 1.00 54.34 C ATOM 303 CG GLU A 21 -0.446 4.616 -2.058 1.00 1.11 C ATOM 304 CD GLU A 21 0.154 4.455 -0.659 1.00 73.44 C ATOM 305 OE1 GLU A 21 0.669 5.528 -0.161 1.00 74.51 O ATOM 306 OE2 GLU A 21 0.122 3.352 -0.095 1.00 32.02 O ATOM 0 H GLU A 21 -1.233 7.031 -3.501 1.00 72.44 H new ATOM 0 HA GLU A 21 -2.339 4.408 -3.929 1.00 4.33 H new ATOM 0 HB2 GLU A 21 -1.897 6.087 -1.438 1.00 54.34 H new ATOM 0 HB3 GLU A 21 -2.500 4.441 -1.420 1.00 54.34 H new ATOM 0 HG2 GLU A 21 -0.434 3.657 -2.576 1.00 1.11 H new ATOM 0 HG3 GLU A 21 0.166 5.302 -2.643 1.00 1.11 H new ATOM 313 N GLY A 22 -4.748 4.608 -3.113 1.00 45.43 N ATOM 314 CA GLY A 22 -6.190 4.760 -3.025 1.00 31.35 C ATOM 315 C GLY A 22 -6.775 3.820 -1.968 1.00 11.52 C ATOM 316 O GLY A 22 -6.047 3.048 -1.346 1.00 31.32 O ATOM 0 H GLY A 22 -4.413 3.650 -3.013 1.00 45.43 H new ATOM 0 HA2 GLY A 22 -6.436 5.792 -2.776 1.00 31.35 H new ATOM 0 HA3 GLY A 22 -6.642 4.550 -3.994 1.00 31.35 H new ATOM 320 N GLY A 23 -8.086 3.918 -1.795 1.00 65.44 N ATOM 321 CA GLY A 23 -8.777 3.087 -0.826 1.00 30.45 C ATOM 322 C GLY A 23 -9.158 1.735 -1.433 1.00 1.14 C ATOM 323 O GLY A 23 -10.271 1.253 -1.236 1.00 35.24 O ATOM 0 H GLY A 23 -8.687 4.561 -2.311 1.00 65.44 H new ATOM 0 HA2 GLY A 23 -8.140 2.932 0.045 1.00 30.45 H new ATOM 0 HA3 GLY A 23 -9.674 3.599 -0.477 1.00 30.45 H new ATOM 327 N GLY A 24 -8.209 1.161 -2.159 1.00 74.41 N ATOM 328 CA GLY A 24 -8.431 -0.126 -2.796 1.00 40.14 C ATOM 329 C GLY A 24 -7.108 -0.754 -3.239 1.00 41.51 C ATOM 330 O GLY A 24 -6.135 -0.046 -3.492 1.00 4.41 O ATOM 0 H GLY A 24 -7.286 1.563 -2.320 1.00 74.41 H new ATOM 0 HA2 GLY A 24 -8.941 -0.795 -2.103 1.00 40.14 H new ATOM 0 HA3 GLY A 24 -9.085 -0.001 -3.659 1.00 40.14 H new ATOM 334 N THR A 25 -7.114 -2.076 -3.319 1.00 74.31 N ATOM 335 CA THR A 25 -5.928 -2.808 -3.726 1.00 44.44 C ATOM 336 C THR A 25 -5.900 -2.975 -5.246 1.00 60.44 C ATOM 337 O THR A 25 -6.945 -2.962 -5.895 1.00 13.40 O ATOM 338 CB THR A 25 -5.906 -4.136 -2.968 1.00 15.11 C ATOM 339 OG1 THR A 25 -4.631 -4.691 -3.275 1.00 63.54 O ATOM 340 CG2 THR A 25 -6.902 -5.149 -3.535 1.00 20.54 C ATOM 0 H THR A 25 -7.923 -2.660 -3.108 1.00 74.31 H new ATOM 0 HA THR A 25 -5.020 -2.260 -3.474 1.00 44.44 H new ATOM 0 HB THR A 25 -6.129 -3.958 -1.916 1.00 15.11 H new ATOM 0 HG1 THR A 25 -4.532 -5.554 -2.822 1.00 63.54 H new ATOM 0 HG21 THR A 25 -6.846 -6.074 -2.961 1.00 20.54 H new ATOM 0 HG22 THR A 25 -7.911 -4.742 -3.471 1.00 20.54 H new ATOM 0 HG23 THR A 25 -6.659 -5.353 -4.578 1.00 20.54 H new ATOM 348 N LEU A 26 -4.693 -3.131 -5.772 1.00 10.11 N ATOM 349 CA LEU A 26 -4.516 -3.302 -7.204 1.00 14.22 C ATOM 350 C LEU A 26 -4.857 -4.744 -7.587 1.00 43.51 C ATOM 351 O LEU A 26 -4.132 -5.672 -7.232 1.00 62.02 O ATOM 352 CB LEU A 26 -3.110 -2.869 -7.625 1.00 14.14 C ATOM 353 CG LEU A 26 -2.646 -1.505 -7.111 1.00 20.45 C ATOM 354 CD1 LEU A 26 -1.196 -1.230 -7.516 1.00 31.41 C ATOM 355 CD2 LEU A 26 -3.590 -0.394 -7.574 1.00 15.21 C ATOM 0 H LEU A 26 -3.828 -3.142 -5.231 1.00 10.11 H new ATOM 0 HA LEU A 26 -5.201 -2.656 -7.753 1.00 14.22 H new ATOM 0 HB2 LEU A 26 -2.402 -3.624 -7.284 1.00 14.14 H new ATOM 0 HB3 LEU A 26 -3.065 -2.859 -8.714 1.00 14.14 H new ATOM 0 HG LEU A 26 -2.679 -1.522 -6.022 1.00 20.45 H new ATOM 0 HD11 LEU A 26 -0.891 -0.254 -7.138 1.00 31.41 H new ATOM 0 HD12 LEU A 26 -0.549 -2.000 -7.096 1.00 31.41 H new ATOM 0 HD13 LEU A 26 -1.114 -1.240 -8.603 1.00 31.41 H new ATOM 0 HD21 LEU A 26 -3.237 0.565 -7.195 1.00 15.21 H new ATOM 0 HD22 LEU A 26 -3.613 -0.367 -8.663 1.00 15.21 H new ATOM 0 HD23 LEU A 26 -4.593 -0.587 -7.194 1.00 15.21 H new ATOM 367 N VAL A 27 -5.960 -4.886 -8.306 1.00 60.11 N ATOM 368 CA VAL A 27 -6.406 -6.199 -8.741 1.00 22.03 C ATOM 369 C VAL A 27 -6.115 -6.363 -10.235 1.00 4.25 C ATOM 370 O VAL A 27 -6.171 -5.394 -10.991 1.00 30.11 O ATOM 371 CB VAL A 27 -7.884 -6.391 -8.396 1.00 22.30 C ATOM 372 CG1 VAL A 27 -8.465 -7.604 -9.127 1.00 44.30 C ATOM 373 CG2 VAL A 27 -8.082 -6.516 -6.884 1.00 52.40 C ATOM 0 H VAL A 27 -6.559 -4.114 -8.599 1.00 60.11 H new ATOM 0 HA VAL A 27 -5.859 -6.981 -8.215 1.00 22.03 H new ATOM 0 HB VAL A 27 -8.424 -5.506 -8.733 1.00 22.30 H new ATOM 0 HG11 VAL A 27 -9.517 -7.718 -8.864 1.00 44.30 H new ATOM 0 HG12 VAL A 27 -8.374 -7.458 -10.203 1.00 44.30 H new ATOM 0 HG13 VAL A 27 -7.919 -8.501 -8.835 1.00 44.30 H new ATOM 0 HG21 VAL A 27 -9.141 -6.652 -6.666 1.00 52.40 H new ATOM 0 HG22 VAL A 27 -7.522 -7.375 -6.514 1.00 52.40 H new ATOM 0 HG23 VAL A 27 -7.724 -5.611 -6.394 1.00 52.40 H new ATOM 383 N CYS A 28 -5.808 -7.594 -10.613 1.00 74.23 N ATOM 384 CA CYS A 28 -5.508 -7.897 -12.003 1.00 33.23 C ATOM 385 C CYS A 28 -5.753 -9.390 -12.232 1.00 63.20 C ATOM 386 O CYS A 28 -5.223 -10.229 -11.505 1.00 3.13 O ATOM 387 CB CYS A 28 -4.081 -7.488 -12.375 1.00 74.31 C ATOM 388 SG CYS A 28 -3.731 -7.475 -14.171 1.00 12.55 S ATOM 0 H CYS A 28 -5.760 -8.394 -9.982 1.00 74.23 H new ATOM 0 HA CYS A 28 -6.163 -7.319 -12.655 1.00 33.23 H new ATOM 0 HB2 CYS A 28 -3.887 -6.493 -11.974 1.00 74.31 H new ATOM 0 HB3 CYS A 28 -3.384 -8.170 -11.888 1.00 74.31 H new ATOM 393 N CYS A 29 -6.555 -9.676 -13.246 1.00 65.23 N ATOM 394 CA CYS A 29 -6.876 -11.054 -13.581 1.00 50.34 C ATOM 395 C CYS A 29 -7.496 -11.715 -12.349 1.00 73.15 C ATOM 396 O CYS A 29 -7.025 -12.758 -11.898 1.00 21.14 O ATOM 397 CB CYS A 29 -5.646 -11.816 -14.080 1.00 53.22 C ATOM 398 SG CYS A 29 -4.706 -10.973 -15.405 1.00 2.53 S ATOM 0 H CYS A 29 -6.993 -8.978 -13.847 1.00 65.23 H new ATOM 0 HA CYS A 29 -7.592 -11.074 -14.402 1.00 50.34 H new ATOM 0 HB2 CYS A 29 -4.979 -11.993 -13.236 1.00 53.22 H new ATOM 0 HB3 CYS A 29 -5.964 -12.793 -14.445 1.00 53.22 H new ATOM 403 N GLY A 30 -8.543 -11.083 -11.841 1.00 54.24 N ATOM 404 CA GLY A 30 -9.233 -11.597 -10.670 1.00 71.14 C ATOM 405 C GLY A 30 -8.238 -11.996 -9.579 1.00 43.02 C ATOM 406 O GLY A 30 -8.550 -12.820 -8.720 1.00 40.35 O ATOM 0 H GLY A 30 -8.931 -10.219 -12.219 1.00 54.24 H new ATOM 0 HA2 GLY A 30 -9.916 -10.840 -10.285 1.00 71.14 H new ATOM 0 HA3 GLY A 30 -9.837 -12.460 -10.949 1.00 71.14 H new ATOM 410 N GLU A 31 -7.060 -11.393 -9.649 1.00 24.54 N ATOM 411 CA GLU A 31 -6.017 -11.676 -8.677 1.00 15.33 C ATOM 412 C GLU A 31 -5.547 -10.380 -8.011 1.00 33.10 C ATOM 413 O GLU A 31 -5.811 -9.289 -8.514 1.00 1.41 O ATOM 414 CB GLU A 31 -4.846 -12.413 -9.328 1.00 22.01 C ATOM 415 CG GLU A 31 -3.671 -12.542 -8.357 1.00 21.22 C ATOM 416 CD GLU A 31 -2.561 -13.412 -8.951 1.00 22.23 C ATOM 417 OE1 GLU A 31 -2.160 -13.203 -10.105 1.00 53.00 O ATOM 418 OE2 GLU A 31 -2.111 -14.333 -8.167 1.00 75.32 O ATOM 0 H GLU A 31 -6.805 -10.710 -10.363 1.00 24.54 H new ATOM 0 HA GLU A 31 -6.431 -12.328 -7.908 1.00 15.33 H new ATOM 0 HB2 GLU A 31 -5.168 -13.404 -9.648 1.00 22.01 H new ATOM 0 HB3 GLU A 31 -4.526 -11.877 -10.222 1.00 22.01 H new ATOM 0 HG2 GLU A 31 -3.277 -11.553 -8.124 1.00 21.22 H new ATOM 0 HG3 GLU A 31 -4.016 -12.977 -7.419 1.00 21.22 H new ATOM 425 N ASP A 32 -4.859 -10.544 -6.891 1.00 32.55 N ATOM 426 CA ASP A 32 -4.351 -9.402 -6.151 1.00 51.20 C ATOM 427 C ASP A 32 -2.899 -9.142 -6.556 1.00 61.32 C ATOM 428 O ASP A 32 -1.988 -9.815 -6.077 1.00 24.23 O ATOM 429 CB ASP A 32 -4.382 -9.663 -4.643 1.00 51.43 C ATOM 430 CG ASP A 32 -3.489 -10.811 -4.168 1.00 2.44 C ATOM 431 OD1 ASP A 32 -4.002 -11.988 -4.292 1.00 42.11 O ATOM 432 OD2 ASP A 32 -2.360 -10.592 -3.703 1.00 15.41 O ATOM 0 H ASP A 32 -4.641 -11.451 -6.478 1.00 32.55 H new ATOM 0 HA ASP A 32 -4.983 -8.544 -6.381 1.00 51.20 H new ATOM 0 HB2 ASP A 32 -4.083 -8.752 -4.125 1.00 51.43 H new ATOM 0 HB3 ASP A 32 -5.409 -9.875 -4.347 1.00 51.43 H new ATOM 437 N MET A 33 -2.728 -8.166 -7.436 1.00 22.14 N ATOM 438 CA MET A 33 -1.402 -7.810 -7.911 1.00 23.03 C ATOM 439 C MET A 33 -0.371 -7.912 -6.786 1.00 30.45 C ATOM 440 O MET A 33 -0.654 -7.551 -5.644 1.00 32.14 O ATOM 441 CB MET A 33 -1.422 -6.381 -8.457 1.00 72.23 C ATOM 442 CG MET A 33 -1.939 -6.353 -9.898 1.00 5.13 C ATOM 443 SD MET A 33 -3.138 -5.044 -10.089 1.00 70.43 S ATOM 444 CE MET A 33 -2.098 -3.768 -10.778 1.00 23.14 C ATOM 0 H MET A 33 -3.486 -7.611 -7.832 1.00 22.14 H new ATOM 0 HA MET A 33 -1.120 -8.506 -8.701 1.00 23.03 H new ATOM 0 HB2 MET A 33 -2.055 -5.756 -7.827 1.00 72.23 H new ATOM 0 HB3 MET A 33 -0.418 -5.959 -8.419 1.00 72.23 H new ATOM 0 HG2 MET A 33 -1.109 -6.201 -10.588 1.00 5.13 H new ATOM 0 HG3 MET A 33 -2.392 -7.312 -10.150 1.00 5.13 H new ATOM 0 HE1 MET A 33 -2.676 -2.851 -10.894 1.00 23.14 H new ATOM 0 HE2 MET A 33 -1.256 -3.585 -10.110 1.00 23.14 H new ATOM 0 HE3 MET A 33 -1.726 -4.088 -11.751 1.00 23.14 H new ATOM 454 N VAL A 34 0.805 -8.406 -7.146 1.00 15.42 N ATOM 455 CA VAL A 34 1.880 -8.559 -6.181 1.00 61.11 C ATOM 456 C VAL A 34 2.788 -7.328 -6.235 1.00 35.14 C ATOM 457 O VAL A 34 2.749 -6.566 -7.198 1.00 53.54 O ATOM 458 CB VAL A 34 2.631 -9.867 -6.438 1.00 41.03 C ATOM 459 CG1 VAL A 34 3.453 -10.277 -5.215 1.00 24.10 C ATOM 460 CG2 VAL A 34 1.667 -10.981 -6.849 1.00 62.43 C ATOM 0 H VAL A 34 1.037 -8.705 -8.093 1.00 15.42 H new ATOM 0 HA VAL A 34 1.479 -8.623 -5.170 1.00 61.11 H new ATOM 0 HB VAL A 34 3.321 -9.700 -7.265 1.00 41.03 H new ATOM 0 HG11 VAL A 34 3.977 -11.210 -5.425 1.00 24.10 H new ATOM 0 HG12 VAL A 34 4.179 -9.497 -4.986 1.00 24.10 H new ATOM 0 HG13 VAL A 34 2.790 -10.417 -4.361 1.00 24.10 H new ATOM 0 HG21 VAL A 34 2.227 -11.900 -7.026 1.00 62.43 H new ATOM 0 HG22 VAL A 34 0.941 -11.146 -6.053 1.00 62.43 H new ATOM 0 HG23 VAL A 34 1.146 -10.693 -7.762 1.00 62.43 H new ATOM 470 N LYS A 35 3.583 -7.173 -5.186 1.00 13.01 N ATOM 471 CA LYS A 35 4.498 -6.048 -5.101 1.00 65.51 C ATOM 472 C LYS A 35 5.936 -6.557 -5.219 1.00 21.14 C ATOM 473 O LYS A 35 6.311 -7.527 -4.562 1.00 20.41 O ATOM 474 CB LYS A 35 4.235 -5.238 -3.830 1.00 52.45 C ATOM 475 CG LYS A 35 4.995 -3.910 -3.860 1.00 53.50 C ATOM 476 CD LYS A 35 6.258 -3.983 -3.001 1.00 4.34 C ATOM 477 CE LYS A 35 7.094 -2.710 -3.147 1.00 4.24 C ATOM 478 NZ LYS A 35 7.229 -2.025 -1.840 1.00 60.14 N ATOM 0 H LYS A 35 3.612 -7.808 -4.388 1.00 13.01 H new ATOM 0 HA LYS A 35 4.333 -5.359 -5.930 1.00 65.51 H new ATOM 0 HB2 LYS A 35 3.166 -5.048 -3.730 1.00 52.45 H new ATOM 0 HB3 LYS A 35 4.539 -5.815 -2.957 1.00 52.45 H new ATOM 0 HG2 LYS A 35 5.263 -3.663 -4.887 1.00 53.50 H new ATOM 0 HG3 LYS A 35 4.350 -3.109 -3.498 1.00 53.50 H new ATOM 0 HD2 LYS A 35 5.984 -4.124 -1.956 1.00 4.34 H new ATOM 0 HD3 LYS A 35 6.852 -4.848 -3.294 1.00 4.34 H new ATOM 0 HE2 LYS A 35 8.081 -2.959 -3.538 1.00 4.24 H new ATOM 0 HE3 LYS A 35 6.625 -2.041 -3.868 1.00 4.24 H new ATOM 0 HZ1 LYS A 35 7.894 -1.231 -1.931 1.00 60.14 H new ATOM 0 HZ2 LYS A 35 6.301 -1.666 -1.539 1.00 60.14 H new ATOM 0 HZ3 LYS A 35 7.587 -2.697 -1.131 1.00 60.14 H new ATOM 491 N GLN A 36 6.703 -5.878 -6.060 1.00 71.21 N ATOM 492 CA GLN A 36 8.092 -6.249 -6.272 1.00 71.32 C ATOM 493 C GLN A 36 8.921 -5.939 -5.025 1.00 13.55 C ATOM 494 O GLN A 36 8.746 -4.891 -4.403 1.00 73.13 O ATOM 495 CB GLN A 36 8.667 -5.544 -7.502 1.00 74.13 C ATOM 496 CG GLN A 36 7.708 -5.646 -8.690 1.00 3.21 C ATOM 497 CD GLN A 36 7.645 -7.079 -9.221 1.00 75.35 C ATOM 498 OE1 GLN A 36 8.480 -7.520 -9.994 1.00 30.14 O ATOM 499 NE2 GLN A 36 6.609 -7.780 -8.766 1.00 42.13 N ATOM 0 H GLN A 36 6.389 -5.073 -6.602 1.00 71.21 H new ATOM 0 HA GLN A 36 8.136 -7.322 -6.456 1.00 71.32 H new ATOM 0 HB2 GLN A 36 8.855 -4.496 -7.270 1.00 74.13 H new ATOM 0 HB3 GLN A 36 9.627 -5.989 -7.765 1.00 74.13 H new ATOM 0 HG2 GLN A 36 6.712 -5.322 -8.387 1.00 3.21 H new ATOM 0 HG3 GLN A 36 8.034 -4.974 -9.484 1.00 3.21 H new ATOM 0 HE21 GLN A 36 5.946 -7.350 -8.120 1.00 42.13 H new ATOM 0 HE22 GLN A 36 6.478 -8.747 -9.063 1.00 42.13 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -3.516 -1.641 -22.199 1.00 44.34 N ATOM 510 CA ALA B 1 -2.557 -0.765 -21.547 1.00 53.32 C ATOM 511 C ALA B 1 -1.171 -0.989 -22.156 1.00 33.45 C ATOM 512 O ALA B 1 -0.627 -2.090 -22.079 1.00 23.10 O ATOM 513 CB ALA B 1 -2.579 -1.016 -20.038 1.00 53.32 C ATOM 0 H1 ALA B 1 -4.459 -1.491 -21.787 1.00 44.34 H new ATOM 0 H2 ALA B 1 -3.545 -1.428 -23.217 1.00 44.34 H new ATOM 0 H3 ALA B 1 -3.231 -2.632 -22.060 1.00 44.34 H new ATOM 0 HA ALA B 1 -2.822 0.280 -21.707 1.00 53.32 H new ATOM 0 HB1 ALA B 1 -1.860 -0.359 -19.549 1.00 53.32 H new ATOM 0 HB2 ALA B 1 -3.577 -0.814 -19.650 1.00 53.32 H new ATOM 0 HB3 ALA B 1 -2.316 -2.055 -19.838 1.00 53.32 H new ATOM 519 N ASN B 2 -0.640 0.071 -22.748 1.00 35.15 N ATOM 520 CA ASN B 2 0.671 0.002 -23.369 1.00 3.23 C ATOM 521 C ASN B 2 1.713 0.592 -22.416 1.00 61.14 C ATOM 522 O ASN B 2 1.438 1.562 -21.712 1.00 14.24 O ATOM 523 CB ASN B 2 0.708 0.810 -24.668 1.00 0.23 C ATOM 524 CG ASN B 2 0.327 -0.061 -25.866 1.00 63.02 C ATOM 525 OD1 ASN B 2 -0.475 -0.976 -25.772 1.00 63.24 O ATOM 526 ND2 ASN B 2 0.945 0.273 -26.996 1.00 20.11 N ATOM 0 H ASN B 2 -1.094 0.982 -22.810 1.00 35.15 H new ATOM 0 HA ASN B 2 0.886 -1.044 -23.588 1.00 3.23 H new ATOM 0 HB2 ASN B 2 0.022 1.654 -24.595 1.00 0.23 H new ATOM 0 HB3 ASN B 2 1.706 1.222 -24.816 1.00 0.23 H new ATOM 0 HD21 ASN B 2 0.758 -0.248 -27.853 1.00 20.11 H new ATOM 0 HD22 ASN B 2 1.605 1.050 -27.006 1.00 20.11 H new ATOM 533 N GLU B 3 2.889 -0.019 -22.424 1.00 72.22 N ATOM 534 CA GLU B 3 3.973 0.433 -21.570 1.00 64.20 C ATOM 535 C GLU B 3 4.125 1.952 -21.664 1.00 10.22 C ATOM 536 O GLU B 3 4.113 2.514 -22.758 1.00 4.11 O ATOM 537 CB GLU B 3 5.284 -0.272 -21.927 1.00 73.20 C ATOM 538 CG GLU B 3 6.404 0.135 -20.968 1.00 22.42 C ATOM 539 CD GLU B 3 7.638 -0.748 -21.162 1.00 23.23 C ATOM 540 OE1 GLU B 3 7.922 -1.179 -22.289 1.00 61.50 O ATOM 541 OE2 GLU B 3 8.315 -0.982 -20.089 1.00 41.13 O ATOM 0 H GLU B 3 3.114 -0.824 -23.009 1.00 72.22 H new ATOM 0 HA GLU B 3 3.729 0.175 -20.540 1.00 64.20 H new ATOM 0 HB2 GLU B 3 5.142 -1.352 -21.889 1.00 73.20 H new ATOM 0 HB3 GLU B 3 5.568 -0.024 -22.950 1.00 73.20 H new ATOM 0 HG2 GLU B 3 6.669 1.179 -21.135 1.00 22.42 H new ATOM 0 HG3 GLU B 3 6.054 0.056 -19.939 1.00 22.42 H new ATOM 548 N GLY B 4 4.265 2.574 -20.503 1.00 13.01 N ATOM 549 CA GLY B 4 4.419 4.018 -20.440 1.00 62.24 C ATOM 550 C GLY B 4 3.061 4.709 -20.305 1.00 34.13 C ATOM 551 O GLY B 4 2.977 5.935 -20.349 1.00 13.34 O ATOM 0 H GLY B 4 4.275 2.104 -19.598 1.00 13.01 H new ATOM 0 HA2 GLY B 4 5.052 4.283 -19.593 1.00 62.24 H new ATOM 0 HA3 GLY B 4 4.924 4.373 -21.338 1.00 62.24 H new ATOM 555 N ASP B 5 2.031 3.892 -20.141 1.00 54.34 N ATOM 556 CA ASP B 5 0.680 4.409 -19.998 1.00 2.50 C ATOM 557 C ASP B 5 0.386 4.650 -18.516 1.00 74.43 C ATOM 558 O ASP B 5 0.991 4.022 -17.649 1.00 40.33 O ATOM 559 CB ASP B 5 -0.351 3.412 -20.530 1.00 40.51 C ATOM 560 CG ASP B 5 -0.672 3.547 -22.019 1.00 74.44 C ATOM 561 OD1 ASP B 5 -0.850 4.756 -22.432 1.00 21.21 O ATOM 562 OD2 ASP B 5 -0.749 2.546 -22.749 1.00 14.40 O ATOM 0 H ASP B 5 2.105 2.875 -20.104 1.00 54.34 H new ATOM 0 HA ASP B 5 0.611 5.336 -20.568 1.00 2.50 H new ATOM 0 HB2 ASP B 5 0.012 2.402 -20.342 1.00 40.51 H new ATOM 0 HB3 ASP B 5 -1.274 3.529 -19.963 1.00 40.51 H new ATOM 567 N VAL B 6 -0.546 5.560 -18.272 1.00 21.14 N ATOM 568 CA VAL B 6 -0.928 5.891 -16.909 1.00 15.12 C ATOM 569 C VAL B 6 -2.436 5.688 -16.744 1.00 34.32 C ATOM 570 O VAL B 6 -3.218 6.083 -17.607 1.00 42.13 O ATOM 571 CB VAL B 6 -0.477 7.313 -16.570 1.00 22.21 C ATOM 572 CG1 VAL B 6 -1.406 7.951 -15.535 1.00 42.32 C ATOM 573 CG2 VAL B 6 0.975 7.326 -16.085 1.00 61.52 C ATOM 0 H VAL B 6 -1.047 6.078 -18.994 1.00 21.14 H new ATOM 0 HA VAL B 6 -0.430 5.228 -16.201 1.00 15.12 H new ATOM 0 HB VAL B 6 -0.532 7.908 -17.481 1.00 22.21 H new ATOM 0 HG11 VAL B 6 -1.063 8.961 -15.312 1.00 42.32 H new ATOM 0 HG12 VAL B 6 -2.420 7.992 -15.932 1.00 42.32 H new ATOM 0 HG13 VAL B 6 -1.398 7.355 -14.622 1.00 42.32 H new ATOM 0 HG21 VAL B 6 1.271 8.348 -15.851 1.00 61.52 H new ATOM 0 HG22 VAL B 6 1.066 6.708 -15.192 1.00 61.52 H new ATOM 0 HG23 VAL B 6 1.623 6.931 -16.867 1.00 61.52 H new ATOM 583 N TYR B 7 -2.799 5.072 -15.628 1.00 61.14 N ATOM 584 CA TYR B 7 -4.198 4.811 -15.339 1.00 33.12 C ATOM 585 C TYR B 7 -4.580 5.343 -13.955 1.00 72.45 C ATOM 586 O TYR B 7 -3.919 5.037 -12.965 1.00 70.31 O ATOM 587 CB TYR B 7 -4.355 3.289 -15.349 1.00 74.13 C ATOM 588 CG TYR B 7 -4.636 2.702 -16.733 1.00 32.41 C ATOM 589 CD1 TYR B 7 -3.679 2.781 -17.724 1.00 21.42 C ATOM 590 CD2 TYR B 7 -5.847 2.093 -16.991 1.00 54.01 C ATOM 591 CE1 TYR B 7 -3.944 2.228 -19.027 1.00 42.23 C ATOM 592 CE2 TYR B 7 -6.112 1.540 -18.295 1.00 34.43 C ATOM 593 CZ TYR B 7 -5.148 1.634 -19.248 1.00 4.10 C ATOM 594 OH TYR B 7 -5.398 1.112 -20.479 1.00 24.43 O ATOM 0 H TYR B 7 -2.148 4.746 -14.914 1.00 61.14 H new ATOM 0 HA TYR B 7 -4.839 5.301 -16.071 1.00 33.12 H new ATOM 0 HB2 TYR B 7 -3.446 2.838 -14.952 1.00 74.13 H new ATOM 0 HB3 TYR B 7 -5.168 3.013 -14.677 1.00 74.13 H new ATOM 0 HD1 TYR B 7 -2.731 3.258 -17.522 1.00 21.42 H new ATOM 0 HD2 TYR B 7 -6.596 2.031 -16.216 1.00 54.01 H new ATOM 0 HE1 TYR B 7 -3.204 2.284 -19.811 1.00 42.23 H new ATOM 0 HE2 TYR B 7 -7.056 1.061 -18.510 1.00 34.43 H new ATOM 0 HH TYR B 7 -6.296 0.719 -20.492 1.00 24.43 H new ATOM 604 N LYS B 8 -5.646 6.129 -13.933 1.00 32.03 N ATOM 605 CA LYS B 8 -6.124 6.705 -12.688 1.00 32.33 C ATOM 606 C LYS B 8 -7.574 6.273 -12.454 1.00 30.05 C ATOM 607 O LYS B 8 -8.246 5.818 -13.378 1.00 30.23 O ATOM 608 CB LYS B 8 -5.928 8.222 -12.689 1.00 50.44 C ATOM 609 CG LYS B 8 -6.497 8.850 -11.416 1.00 21.24 C ATOM 610 CD LYS B 8 -6.221 10.355 -11.375 1.00 32.33 C ATOM 611 CE LYS B 8 -6.093 10.849 -9.932 1.00 50.34 C ATOM 612 NZ LYS B 8 -4.952 11.783 -9.804 1.00 65.12 N ATOM 0 H LYS B 8 -6.192 6.380 -14.757 1.00 32.03 H new ATOM 0 HA LYS B 8 -5.540 6.332 -11.847 1.00 32.33 H new ATOM 0 HB2 LYS B 8 -4.866 8.455 -12.770 1.00 50.44 H new ATOM 0 HB3 LYS B 8 -6.417 8.655 -13.562 1.00 50.44 H new ATOM 0 HG2 LYS B 8 -7.571 8.672 -11.368 1.00 21.24 H new ATOM 0 HG3 LYS B 8 -6.055 8.372 -10.542 1.00 21.24 H new ATOM 0 HD2 LYS B 8 -5.304 10.575 -11.921 1.00 32.33 H new ATOM 0 HD3 LYS B 8 -7.027 10.890 -11.876 1.00 32.33 H new ATOM 0 HE2 LYS B 8 -7.014 11.347 -9.629 1.00 50.34 H new ATOM 0 HE3 LYS B 8 -5.953 10.001 -9.262 1.00 50.34 H new ATOM 0 HZ1 LYS B 8 -4.422 11.567 -8.936 1.00 65.12 H new ATOM 0 HZ2 LYS B 8 -4.325 11.680 -10.627 1.00 65.12 H new ATOM 0 HZ3 LYS B 8 -5.306 12.760 -9.759 1.00 65.12 H new ATOM 625 N CYS B 9 -8.011 6.430 -11.213 1.00 51.02 N ATOM 626 CA CYS B 9 -9.368 6.062 -10.846 1.00 33.24 C ATOM 627 C CYS B 9 -10.218 7.334 -10.810 1.00 34.31 C ATOM 628 O CYS B 9 -9.696 8.438 -10.953 1.00 2.40 O ATOM 629 CB CYS B 9 -9.409 5.311 -9.514 1.00 74.54 C ATOM 630 SG CYS B 9 -10.904 4.282 -9.259 1.00 70.22 S ATOM 0 H CYS B 9 -7.450 6.807 -10.449 1.00 51.02 H new ATOM 0 HA CYS B 9 -9.775 5.375 -11.588 1.00 33.24 H new ATOM 0 HB2 CYS B 9 -8.529 4.672 -9.446 1.00 74.54 H new ATOM 0 HB3 CYS B 9 -9.340 6.035 -8.702 1.00 74.54 H new ATOM 635 N GLU B 10 -11.514 7.137 -10.618 1.00 63.54 N ATOM 636 CA GLU B 10 -12.442 8.253 -10.562 1.00 44.41 C ATOM 637 C GLU B 10 -13.172 8.269 -9.218 1.00 54.11 C ATOM 638 O GLU B 10 -14.103 9.050 -9.023 1.00 33.22 O ATOM 639 CB GLU B 10 -13.433 8.202 -11.726 1.00 15.54 C ATOM 640 CG GLU B 10 -12.725 8.445 -13.060 1.00 54.33 C ATOM 641 CD GLU B 10 -12.111 9.846 -13.108 1.00 30.52 C ATOM 642 OE1 GLU B 10 -12.818 10.841 -12.892 1.00 62.13 O ATOM 643 OE2 GLU B 10 -10.850 9.878 -13.379 1.00 41.23 O ATOM 0 H GLU B 10 -11.944 6.220 -10.499 1.00 63.54 H new ATOM 0 HA GLU B 10 -11.873 9.178 -10.655 1.00 44.41 H new ATOM 0 HB2 GLU B 10 -13.928 7.231 -11.745 1.00 15.54 H new ATOM 0 HB3 GLU B 10 -14.210 8.953 -11.580 1.00 15.54 H new ATOM 0 HG2 GLU B 10 -11.945 7.697 -13.203 1.00 54.33 H new ATOM 0 HG3 GLU B 10 -13.434 8.327 -13.879 1.00 54.33 H new ATOM 650 N LEU B 11 -12.724 7.398 -8.326 1.00 20.21 N ATOM 651 CA LEU B 11 -13.324 7.302 -7.007 1.00 32.21 C ATOM 652 C LEU B 11 -12.218 7.244 -5.952 1.00 12.55 C ATOM 653 O LEU B 11 -12.075 8.164 -5.146 1.00 63.51 O ATOM 654 CB LEU B 11 -14.295 6.121 -6.944 1.00 72.12 C ATOM 655 CG LEU B 11 -14.432 5.436 -5.582 1.00 51.14 C ATOM 656 CD1 LEU B 11 -15.366 6.227 -4.663 1.00 61.54 C ATOM 657 CD2 LEU B 11 -14.881 3.982 -5.742 1.00 73.25 C ATOM 0 H LEU B 11 -11.952 6.752 -8.491 1.00 20.21 H new ATOM 0 HA LEU B 11 -13.922 8.188 -6.796 1.00 32.21 H new ATOM 0 HB2 LEU B 11 -15.280 6.470 -7.254 1.00 72.12 H new ATOM 0 HB3 LEU B 11 -13.977 5.376 -7.673 1.00 72.12 H new ATOM 0 HG LEU B 11 -13.451 5.419 -5.107 1.00 51.14 H new ATOM 0 HD11 LEU B 11 -15.446 5.719 -3.702 1.00 61.54 H new ATOM 0 HD12 LEU B 11 -14.965 7.229 -4.512 1.00 61.54 H new ATOM 0 HD13 LEU B 11 -16.353 6.297 -5.120 1.00 61.54 H new ATOM 0 HD21 LEU B 11 -14.970 3.519 -4.759 1.00 73.25 H new ATOM 0 HD22 LEU B 11 -15.847 3.953 -6.246 1.00 73.25 H new ATOM 0 HD23 LEU B 11 -14.146 3.437 -6.334 1.00 73.25 H new ATOM 669 N CYS B 12 -11.464 6.156 -5.988 1.00 24.41 N ATOM 670 CA CYS B 12 -10.375 5.966 -5.046 1.00 1.35 C ATOM 671 C CYS B 12 -9.264 6.961 -5.389 1.00 41.40 C ATOM 672 O CYS B 12 -8.312 7.121 -4.627 1.00 11.55 O ATOM 673 CB CYS B 12 -9.869 4.523 -5.047 1.00 31.05 C ATOM 674 SG CYS B 12 -8.806 4.084 -6.470 1.00 3.23 S ATOM 0 H CYS B 12 -11.586 5.395 -6.656 1.00 24.41 H new ATOM 0 HA CYS B 12 -10.731 6.155 -4.033 1.00 1.35 H new ATOM 0 HB2 CYS B 12 -9.311 4.348 -4.127 1.00 31.05 H new ATOM 0 HB3 CYS B 12 -10.728 3.852 -5.032 1.00 31.05 H new ATOM 679 N GLY B 13 -9.422 7.603 -6.537 1.00 50.45 N ATOM 680 CA GLY B 13 -8.444 8.578 -6.991 1.00 33.45 C ATOM 681 C GLY B 13 -7.028 8.000 -6.932 1.00 11.30 C ATOM 682 O GLY B 13 -6.113 8.644 -6.421 1.00 10.33 O ATOM 0 H GLY B 13 -10.213 7.467 -7.167 1.00 50.45 H new ATOM 0 HA2 GLY B 13 -8.675 8.882 -8.012 1.00 33.45 H new ATOM 0 HA3 GLY B 13 -8.502 9.473 -6.371 1.00 33.45 H new ATOM 686 N GLN B 14 -6.893 6.794 -7.463 1.00 43.41 N ATOM 687 CA GLN B 14 -5.603 6.124 -7.478 1.00 22.12 C ATOM 688 C GLN B 14 -4.929 6.300 -8.841 1.00 1.34 C ATOM 689 O GLN B 14 -5.592 6.254 -9.876 1.00 25.45 O ATOM 690 CB GLN B 14 -5.752 4.642 -7.127 1.00 12.41 C ATOM 691 CG GLN B 14 -4.456 3.880 -7.410 1.00 33.31 C ATOM 692 CD GLN B 14 -4.114 2.934 -6.257 1.00 0.12 C ATOM 693 OE1 GLN B 14 -3.155 3.124 -5.528 1.00 65.10 O ATOM 694 NE2 GLN B 14 -4.950 1.907 -6.133 1.00 13.12 N ATOM 0 H GLN B 14 -7.655 6.263 -7.886 1.00 43.41 H new ATOM 0 HA GLN B 14 -4.968 6.582 -6.719 1.00 22.12 H new ATOM 0 HB2 GLN B 14 -6.017 4.538 -6.075 1.00 12.41 H new ATOM 0 HB3 GLN B 14 -6.567 4.208 -7.705 1.00 12.41 H new ATOM 0 HG2 GLN B 14 -4.559 3.311 -8.334 1.00 33.31 H new ATOM 0 HG3 GLN B 14 -3.640 4.587 -7.560 1.00 33.31 H new ATOM 0 HE21 GLN B 14 -5.734 1.807 -6.778 1.00 13.12 H new ATOM 0 HE22 GLN B 14 -4.807 1.220 -5.393 1.00 13.12 H new ATOM 703 N VAL B 15 -3.620 6.499 -8.796 1.00 71.20 N ATOM 704 CA VAL B 15 -2.849 6.681 -10.014 1.00 0.41 C ATOM 705 C VAL B 15 -1.758 5.611 -10.088 1.00 33.43 C ATOM 706 O VAL B 15 -1.042 5.381 -9.114 1.00 12.14 O ATOM 707 CB VAL B 15 -2.293 8.106 -10.072 1.00 12.11 C ATOM 708 CG1 VAL B 15 -1.523 8.341 -11.374 1.00 24.44 C ATOM 709 CG2 VAL B 15 -3.411 9.138 -9.904 1.00 25.43 C ATOM 0 H VAL B 15 -3.074 6.538 -7.935 1.00 71.20 H new ATOM 0 HA VAL B 15 -3.485 6.557 -10.890 1.00 0.41 H new ATOM 0 HB VAL B 15 -1.596 8.228 -9.243 1.00 12.11 H new ATOM 0 HG11 VAL B 15 -1.138 9.361 -11.390 1.00 24.44 H new ATOM 0 HG12 VAL B 15 -0.692 7.639 -11.437 1.00 24.44 H new ATOM 0 HG13 VAL B 15 -2.190 8.191 -12.223 1.00 24.44 H new ATOM 0 HG21 VAL B 15 -2.989 10.142 -9.949 1.00 25.43 H new ATOM 0 HG22 VAL B 15 -4.142 9.016 -10.703 1.00 25.43 H new ATOM 0 HG23 VAL B 15 -3.899 8.992 -8.940 1.00 25.43 H new ATOM 719 N VAL B 16 -1.665 4.985 -11.251 1.00 73.53 N ATOM 720 CA VAL B 16 -0.674 3.944 -11.465 1.00 14.23 C ATOM 721 C VAL B 16 -0.121 4.058 -12.886 1.00 64.51 C ATOM 722 O VAL B 16 -0.712 4.722 -13.735 1.00 65.10 O ATOM 723 CB VAL B 16 -1.284 2.573 -11.168 1.00 60.54 C ATOM 724 CG1 VAL B 16 -1.680 2.454 -9.695 1.00 1.45 C ATOM 725 CG2 VAL B 16 -2.480 2.295 -12.080 1.00 63.45 C ATOM 0 H VAL B 16 -2.260 5.179 -12.056 1.00 73.53 H new ATOM 0 HA VAL B 16 0.165 4.067 -10.779 1.00 14.23 H new ATOM 0 HB VAL B 16 -0.524 1.819 -11.372 1.00 60.54 H new ATOM 0 HG11 VAL B 16 -2.111 1.470 -9.512 1.00 1.45 H new ATOM 0 HG12 VAL B 16 -0.797 2.586 -9.069 1.00 1.45 H new ATOM 0 HG13 VAL B 16 -2.414 3.222 -9.452 1.00 1.45 H new ATOM 0 HG21 VAL B 16 -2.894 1.314 -11.848 1.00 63.45 H new ATOM 0 HG22 VAL B 16 -3.243 3.058 -11.923 1.00 63.45 H new ATOM 0 HG23 VAL B 16 -2.156 2.315 -13.121 1.00 63.45 H new ATOM 735 N LYS B 17 1.009 3.399 -13.101 1.00 23.33 N ATOM 736 CA LYS B 17 1.650 3.417 -14.405 1.00 2.13 C ATOM 737 C LYS B 17 1.724 1.990 -14.952 1.00 64.30 C ATOM 738 O LYS B 17 1.605 1.026 -14.198 1.00 72.41 O ATOM 739 CB LYS B 17 3.009 4.116 -14.325 1.00 15.14 C ATOM 740 CG LYS B 17 3.613 4.301 -15.717 1.00 64.43 C ATOM 741 CD LYS B 17 5.013 4.913 -15.631 1.00 32.13 C ATOM 742 CE LYS B 17 5.020 6.342 -16.180 1.00 62.11 C ATOM 743 NZ LYS B 17 6.217 6.567 -17.021 1.00 64.52 N ATOM 0 H LYS B 17 1.497 2.849 -12.394 1.00 23.33 H new ATOM 0 HA LYS B 17 1.059 4.000 -15.112 1.00 2.13 H new ATOM 0 HB2 LYS B 17 2.895 5.087 -13.842 1.00 15.14 H new ATOM 0 HB3 LYS B 17 3.688 3.530 -13.705 1.00 15.14 H new ATOM 0 HG2 LYS B 17 3.664 3.339 -16.226 1.00 64.43 H new ATOM 0 HG3 LYS B 17 2.967 4.944 -16.315 1.00 64.43 H new ATOM 0 HD2 LYS B 17 5.350 4.916 -14.594 1.00 32.13 H new ATOM 0 HD3 LYS B 17 5.717 4.300 -16.193 1.00 32.13 H new ATOM 0 HE2 LYS B 17 4.118 6.517 -16.766 1.00 62.11 H new ATOM 0 HE3 LYS B 17 5.008 7.055 -15.356 1.00 62.11 H new ATOM 0 HZ1 LYS B 17 6.207 7.541 -17.386 1.00 64.52 H new ATOM 0 HZ2 LYS B 17 7.074 6.420 -16.451 1.00 64.52 H new ATOM 0 HZ3 LYS B 17 6.212 5.899 -17.818 1.00 64.52 H new ATOM 756 N VAL B 18 1.922 1.902 -16.259 1.00 63.41 N ATOM 757 CA VAL B 18 2.014 0.609 -16.916 1.00 34.12 C ATOM 758 C VAL B 18 3.471 0.336 -17.294 1.00 11.12 C ATOM 759 O VAL B 18 3.898 0.652 -18.403 1.00 23.14 O ATOM 760 CB VAL B 18 1.067 0.562 -18.117 1.00 0.45 C ATOM 761 CG1 VAL B 18 1.267 -0.721 -18.925 1.00 1.25 C ATOM 762 CG2 VAL B 18 -0.390 0.708 -17.671 1.00 21.23 C ATOM 0 H VAL B 18 2.021 2.705 -16.881 1.00 63.41 H new ATOM 0 HA VAL B 18 1.699 -0.185 -16.239 1.00 34.12 H new ATOM 0 HB VAL B 18 1.306 1.405 -18.765 1.00 0.45 H new ATOM 0 HG11 VAL B 18 0.581 -0.728 -19.772 1.00 1.25 H new ATOM 0 HG12 VAL B 18 2.294 -0.766 -19.289 1.00 1.25 H new ATOM 0 HG13 VAL B 18 1.069 -1.585 -18.291 1.00 1.25 H new ATOM 0 HG21 VAL B 18 -1.043 0.671 -18.543 1.00 21.23 H new ATOM 0 HG22 VAL B 18 -0.646 -0.105 -16.992 1.00 21.23 H new ATOM 0 HG23 VAL B 18 -0.520 1.662 -17.160 1.00 21.23 H new ATOM 772 N LEU B 19 4.195 -0.249 -16.350 1.00 2.51 N ATOM 773 CA LEU B 19 5.595 -0.567 -16.570 1.00 34.41 C ATOM 774 C LEU B 19 5.705 -1.638 -17.658 1.00 4.43 C ATOM 775 O LEU B 19 6.558 -1.547 -18.539 1.00 44.24 O ATOM 776 CB LEU B 19 6.269 -0.958 -15.253 1.00 72.20 C ATOM 777 CG LEU B 19 7.570 -0.223 -14.922 1.00 12.04 C ATOM 778 CD1 LEU B 19 8.640 -0.499 -15.979 1.00 62.14 C ATOM 779 CD2 LEU B 19 7.321 1.275 -14.735 1.00 44.20 C ATOM 0 H LEU B 19 3.838 -0.511 -15.431 1.00 2.51 H new ATOM 0 HA LEU B 19 6.133 0.310 -16.929 1.00 34.41 H new ATOM 0 HB2 LEU B 19 5.562 -0.788 -14.441 1.00 72.20 H new ATOM 0 HB3 LEU B 19 6.475 -2.028 -15.277 1.00 72.20 H new ATOM 0 HG LEU B 19 7.948 -0.607 -13.974 1.00 12.04 H new ATOM 0 HD11 LEU B 19 9.554 0.035 -15.720 1.00 62.14 H new ATOM 0 HD12 LEU B 19 8.844 -1.569 -16.019 1.00 62.14 H new ATOM 0 HD13 LEU B 19 8.286 -0.160 -16.953 1.00 62.14 H new ATOM 0 HD21 LEU B 19 8.261 1.774 -14.501 1.00 44.20 H new ATOM 0 HD22 LEU B 19 6.908 1.693 -15.653 1.00 44.20 H new ATOM 0 HD23 LEU B 19 6.616 1.427 -13.918 1.00 44.20 H new ATOM 791 N GLU B 20 4.830 -2.627 -17.561 1.00 35.34 N ATOM 792 CA GLU B 20 4.817 -3.714 -18.525 1.00 43.53 C ATOM 793 C GLU B 20 3.378 -4.107 -18.864 1.00 25.21 C ATOM 794 O GLU B 20 2.639 -4.575 -18.000 1.00 61.23 O ATOM 795 CB GLU B 20 5.607 -4.916 -18.006 1.00 23.52 C ATOM 796 CG GLU B 20 7.087 -4.803 -18.376 1.00 11.32 C ATOM 797 CD GLU B 20 7.979 -5.075 -17.162 1.00 15.11 C ATOM 798 OE1 GLU B 20 8.082 -4.093 -16.331 1.00 64.21 O ATOM 799 OE2 GLU B 20 8.536 -6.174 -17.037 1.00 33.14 O ATOM 0 H GLU B 20 4.124 -2.699 -16.829 1.00 35.34 H new ATOM 0 HA GLU B 20 5.302 -3.369 -19.438 1.00 43.53 H new ATOM 0 HB2 GLU B 20 5.504 -4.983 -16.923 1.00 23.52 H new ATOM 0 HB3 GLU B 20 5.194 -5.834 -18.423 1.00 23.52 H new ATOM 0 HG2 GLU B 20 7.322 -5.512 -19.170 1.00 11.32 H new ATOM 0 HG3 GLU B 20 7.293 -3.806 -18.767 1.00 11.32 H new ATOM 806 N GLU B 21 3.024 -3.901 -20.125 1.00 30.43 N ATOM 807 CA GLU B 21 1.686 -4.229 -20.588 1.00 70.42 C ATOM 808 C GLU B 21 1.455 -5.740 -20.520 1.00 24.30 C ATOM 809 O GLU B 21 2.409 -6.516 -20.487 1.00 14.21 O ATOM 810 CB GLU B 21 1.454 -3.703 -22.006 1.00 14.14 C ATOM 811 CG GLU B 21 2.487 -4.273 -22.979 1.00 35.10 C ATOM 812 CD GLU B 21 1.890 -4.436 -24.379 1.00 20.12 C ATOM 813 OE1 GLU B 21 1.069 -5.337 -24.601 1.00 74.31 O ATOM 814 OE2 GLU B 21 2.308 -3.584 -25.252 1.00 43.41 O ATOM 0 H GLU B 21 3.640 -3.512 -20.839 1.00 30.43 H new ATOM 0 HA GLU B 21 0.966 -3.742 -19.931 1.00 70.42 H new ATOM 0 HB2 GLU B 21 0.451 -3.971 -22.337 1.00 14.14 H new ATOM 0 HB3 GLU B 21 1.510 -2.614 -22.007 1.00 14.14 H new ATOM 0 HG2 GLU B 21 3.353 -3.613 -23.024 1.00 35.10 H new ATOM 0 HG3 GLU B 21 2.840 -5.238 -22.616 1.00 35.10 H new ATOM 821 N GLY B 22 0.184 -6.112 -20.499 1.00 2.21 N ATOM 822 CA GLY B 22 -0.184 -7.516 -20.436 1.00 11.55 C ATOM 823 C GLY B 22 -1.619 -7.729 -20.922 1.00 30.53 C ATOM 824 O GLY B 22 -2.217 -6.833 -21.515 1.00 21.11 O ATOM 0 H GLY B 22 -0.604 -5.465 -20.525 1.00 2.21 H new ATOM 0 HA2 GLY B 22 0.502 -8.103 -21.047 1.00 11.55 H new ATOM 0 HA3 GLY B 22 -0.086 -7.876 -19.412 1.00 11.55 H new ATOM 828 N GLY B 23 -2.130 -8.922 -20.653 1.00 10.43 N ATOM 829 CA GLY B 23 -3.483 -9.265 -21.055 1.00 53.42 C ATOM 830 C GLY B 23 -4.411 -9.352 -19.842 1.00 64.41 C ATOM 831 O GLY B 23 -5.100 -10.354 -19.654 1.00 41.45 O ATOM 0 H GLY B 23 -1.631 -9.663 -20.161 1.00 10.43 H new ATOM 0 HA2 GLY B 23 -3.860 -8.517 -21.752 1.00 53.42 H new ATOM 0 HA3 GLY B 23 -3.478 -10.219 -21.583 1.00 53.42 H new ATOM 835 N GLY B 24 -4.397 -8.291 -19.049 1.00 13.21 N ATOM 836 CA GLY B 24 -5.228 -8.236 -17.858 1.00 75.24 C ATOM 837 C GLY B 24 -5.938 -6.885 -17.748 1.00 75.23 C ATOM 838 O GLY B 24 -5.979 -6.120 -18.710 1.00 74.31 O ATOM 0 H GLY B 24 -3.823 -7.463 -19.208 1.00 13.21 H new ATOM 0 HA2 GLY B 24 -5.966 -9.038 -17.888 1.00 75.24 H new ATOM 0 HA3 GLY B 24 -4.613 -8.401 -16.973 1.00 75.24 H new ATOM 842 N THR B 25 -6.480 -6.632 -16.565 1.00 44.25 N ATOM 843 CA THR B 25 -7.185 -5.387 -16.316 1.00 4.24 C ATOM 844 C THR B 25 -6.652 -4.716 -15.048 1.00 4.24 C ATOM 845 O THR B 25 -6.208 -5.394 -14.122 1.00 61.12 O ATOM 846 CB THR B 25 -8.682 -5.695 -16.256 1.00 0.15 C ATOM 847 OG1 THR B 25 -9.017 -6.050 -17.595 1.00 33.12 O ATOM 848 CG2 THR B 25 -9.526 -4.450 -15.978 1.00 53.03 C ATOM 0 H THR B 25 -6.445 -7.269 -15.769 1.00 44.25 H new ATOM 0 HA THR B 25 -7.018 -4.671 -17.120 1.00 4.24 H new ATOM 0 HB THR B 25 -8.868 -6.439 -15.482 1.00 0.15 H new ATOM 0 HG1 THR B 25 -9.971 -6.267 -17.647 1.00 33.12 H new ATOM 0 HG21 THR B 25 -10.580 -4.725 -15.946 1.00 53.03 H new ATOM 0 HG22 THR B 25 -9.234 -4.019 -15.020 1.00 53.03 H new ATOM 0 HG23 THR B 25 -9.366 -3.718 -16.769 1.00 53.03 H new ATOM 856 N LEU B 26 -6.713 -3.392 -15.047 1.00 31.32 N ATOM 857 CA LEU B 26 -6.242 -2.623 -13.908 1.00 3.31 C ATOM 858 C LEU B 26 -7.418 -2.329 -12.975 1.00 10.30 C ATOM 859 O LEU B 26 -7.978 -1.235 -13.003 1.00 53.32 O ATOM 860 CB LEU B 26 -5.502 -1.368 -14.378 1.00 70.43 C ATOM 861 CG LEU B 26 -4.154 -1.603 -15.064 1.00 45.32 C ATOM 862 CD1 LEU B 26 -3.689 -0.346 -15.803 1.00 51.13 C ATOM 863 CD2 LEU B 26 -3.108 -2.099 -14.064 1.00 30.05 C ATOM 0 H LEU B 26 -7.081 -2.833 -15.817 1.00 31.32 H new ATOM 0 HA LEU B 26 -5.515 -3.198 -13.334 1.00 3.31 H new ATOM 0 HB2 LEU B 26 -6.149 -0.825 -15.068 1.00 70.43 H new ATOM 0 HB3 LEU B 26 -5.341 -0.721 -13.516 1.00 70.43 H new ATOM 0 HG LEU B 26 -4.283 -2.387 -15.810 1.00 45.32 H new ATOM 0 HD11 LEU B 26 -2.729 -0.540 -16.282 1.00 51.13 H new ATOM 0 HD12 LEU B 26 -4.425 -0.076 -16.561 1.00 51.13 H new ATOM 0 HD13 LEU B 26 -3.582 0.474 -15.093 1.00 51.13 H new ATOM 0 HD21 LEU B 26 -2.160 -2.258 -14.578 1.00 30.05 H new ATOM 0 HD22 LEU B 26 -2.975 -1.356 -13.278 1.00 30.05 H new ATOM 0 HD23 LEU B 26 -3.443 -3.038 -13.622 1.00 30.05 H new ATOM 875 N VAL B 27 -7.756 -3.325 -12.170 1.00 12.44 N ATOM 876 CA VAL B 27 -8.855 -3.187 -11.230 1.00 23.02 C ATOM 877 C VAL B 27 -8.363 -2.453 -9.981 1.00 33.30 C ATOM 878 O VAL B 27 -7.178 -2.498 -9.657 1.00 4.44 O ATOM 879 CB VAL B 27 -9.454 -4.560 -10.919 1.00 24.44 C ATOM 880 CG1 VAL B 27 -10.365 -4.497 -9.691 1.00 21.21 C ATOM 881 CG2 VAL B 27 -10.204 -5.118 -12.130 1.00 51.05 C ATOM 0 H VAL B 27 -7.288 -4.231 -12.149 1.00 12.44 H new ATOM 0 HA VAL B 27 -9.656 -2.589 -11.665 1.00 23.02 H new ATOM 0 HB VAL B 27 -8.633 -5.239 -10.691 1.00 24.44 H new ATOM 0 HG11 VAL B 27 -10.777 -5.486 -9.493 1.00 21.21 H new ATOM 0 HG12 VAL B 27 -9.789 -4.164 -8.827 1.00 21.21 H new ATOM 0 HG13 VAL B 27 -11.178 -3.796 -9.877 1.00 21.21 H new ATOM 0 HG21 VAL B 27 -10.620 -6.095 -11.882 1.00 51.05 H new ATOM 0 HG22 VAL B 27 -11.011 -4.438 -12.403 1.00 51.05 H new ATOM 0 HG23 VAL B 27 -9.516 -5.219 -12.969 1.00 51.05 H new ATOM 891 N CYS B 28 -9.299 -1.794 -9.313 1.00 14.22 N ATOM 892 CA CYS B 28 -8.976 -1.051 -8.107 1.00 64.04 C ATOM 893 C CYS B 28 -10.283 -0.570 -7.474 1.00 64.23 C ATOM 894 O CYS B 28 -11.098 0.072 -8.135 1.00 3.02 O ATOM 895 CB CYS B 28 -8.020 0.108 -8.396 1.00 14.43 C ATOM 896 SG CYS B 28 -8.811 1.593 -9.116 1.00 75.54 S ATOM 0 H CYS B 28 -10.282 -1.759 -9.585 1.00 14.22 H new ATOM 0 HA CYS B 28 -8.452 -1.701 -7.406 1.00 64.04 H new ATOM 0 HB2 CYS B 28 -7.524 0.392 -7.468 1.00 14.43 H new ATOM 0 HB3 CYS B 28 -7.245 -0.240 -9.078 1.00 14.43 H new ATOM 901 N CYS B 29 -10.442 -0.899 -6.200 1.00 40.03 N ATOM 902 CA CYS B 29 -11.636 -0.509 -5.471 1.00 33.22 C ATOM 903 C CYS B 29 -12.858 -0.877 -6.316 1.00 4.51 C ATOM 904 O CYS B 29 -13.585 0.002 -6.778 1.00 60.40 O ATOM 905 CB CYS B 29 -11.619 0.978 -5.111 1.00 41.11 C ATOM 906 SG CYS B 29 -11.960 2.110 -6.508 1.00 4.23 S ATOM 0 H CYS B 29 -9.764 -1.431 -5.655 1.00 40.03 H new ATOM 0 HA CYS B 29 -11.676 -1.045 -4.523 1.00 33.22 H new ATOM 0 HB2 CYS B 29 -12.357 1.156 -4.329 1.00 41.11 H new ATOM 0 HB3 CYS B 29 -10.644 1.225 -4.692 1.00 41.11 H new ATOM 911 N GLY B 30 -13.045 -2.176 -6.492 1.00 74.42 N ATOM 912 CA GLY B 30 -14.166 -2.671 -7.274 1.00 12.11 C ATOM 913 C GLY B 30 -14.444 -1.760 -8.472 1.00 50.11 C ATOM 914 O GLY B 30 -15.589 -1.625 -8.900 1.00 54.43 O ATOM 0 H GLY B 30 -12.440 -2.901 -6.107 1.00 74.42 H new ATOM 0 HA2 GLY B 30 -13.953 -3.681 -7.623 1.00 12.11 H new ATOM 0 HA3 GLY B 30 -15.054 -2.732 -6.645 1.00 12.11 H new ATOM 918 N GLU B 31 -13.377 -1.160 -8.977 1.00 52.13 N ATOM 919 CA GLU B 31 -13.492 -0.266 -10.118 1.00 3.33 C ATOM 920 C GLU B 31 -12.332 -0.494 -11.089 1.00 23.23 C ATOM 921 O GLU B 31 -11.201 -0.733 -10.667 1.00 73.32 O ATOM 922 CB GLU B 31 -13.549 1.194 -9.666 1.00 11.33 C ATOM 923 CG GLU B 31 -13.255 2.142 -10.831 1.00 32.30 C ATOM 924 CD GLU B 31 -13.745 3.558 -10.522 1.00 73.44 C ATOM 925 OE1 GLU B 31 -13.703 3.990 -9.361 1.00 52.12 O ATOM 926 OE2 GLU B 31 -14.180 4.218 -11.542 1.00 54.13 O ATOM 0 H GLU B 31 -12.429 -1.275 -8.618 1.00 52.13 H new ATOM 0 HA GLU B 31 -14.424 -0.488 -10.637 1.00 3.33 H new ATOM 0 HB2 GLU B 31 -14.534 1.413 -9.255 1.00 11.33 H new ATOM 0 HB3 GLU B 31 -12.826 1.359 -8.867 1.00 11.33 H new ATOM 0 HG2 GLU B 31 -12.183 2.159 -11.029 1.00 32.30 H new ATOM 0 HG3 GLU B 31 -13.740 1.774 -11.735 1.00 32.30 H new ATOM 933 N ASP B 32 -12.652 -0.410 -12.372 1.00 54.00 N ATOM 934 CA ASP B 32 -11.650 -0.604 -13.407 1.00 35.10 C ATOM 935 C ASP B 32 -10.908 0.712 -13.646 1.00 61.41 C ATOM 936 O ASP B 32 -11.374 1.563 -14.402 1.00 72.02 O ATOM 937 CB ASP B 32 -12.298 -1.028 -14.727 1.00 41.01 C ATOM 938 CG ASP B 32 -13.015 -2.379 -14.691 1.00 74.21 C ATOM 939 OD1 ASP B 32 -12.311 -3.358 -14.234 1.00 20.04 O ATOM 940 OD2 ASP B 32 -14.187 -2.490 -15.081 1.00 34.32 O ATOM 0 H ASP B 32 -13.590 -0.210 -12.718 1.00 54.00 H new ATOM 0 HA ASP B 32 -10.966 -1.385 -13.073 1.00 35.10 H new ATOM 0 HB2 ASP B 32 -13.013 -0.262 -15.026 1.00 41.01 H new ATOM 0 HB3 ASP B 32 -11.528 -1.063 -15.498 1.00 41.01 H new ATOM 945 N MET B 33 -9.766 0.838 -12.987 1.00 33.41 N ATOM 946 CA MET B 33 -8.955 2.037 -13.117 1.00 22.21 C ATOM 947 C MET B 33 -9.003 2.578 -14.547 1.00 55.23 C ATOM 948 O MET B 33 -8.656 1.874 -15.494 1.00 43.42 O ATOM 949 CB MET B 33 -7.506 1.716 -12.742 1.00 34.55 C ATOM 950 CG MET B 33 -6.916 2.811 -11.851 1.00 23.24 C ATOM 951 SD MET B 33 -5.994 2.076 -10.511 1.00 21.21 S ATOM 952 CE MET B 33 -5.123 0.796 -11.399 1.00 72.22 C ATOM 0 H MET B 33 -9.383 0.130 -12.361 1.00 33.41 H new ATOM 0 HA MET B 33 -9.354 2.798 -12.446 1.00 22.21 H new ATOM 0 HB2 MET B 33 -7.464 0.758 -12.223 1.00 34.55 H new ATOM 0 HB3 MET B 33 -6.906 1.615 -13.646 1.00 34.55 H new ATOM 0 HG2 MET B 33 -6.265 3.459 -12.439 1.00 23.24 H new ATOM 0 HG3 MET B 33 -7.714 3.437 -11.453 1.00 23.24 H new ATOM 0 HE1 MET B 33 -4.209 0.538 -10.863 1.00 72.22 H new ATOM 0 HE2 MET B 33 -5.757 -0.087 -11.480 1.00 72.22 H new ATOM 0 HE3 MET B 33 -4.870 1.154 -12.397 1.00 72.22 H new ATOM 962 N VAL B 34 -9.439 3.825 -14.659 1.00 20.32 N ATOM 963 CA VAL B 34 -9.539 4.469 -15.957 1.00 61.03 C ATOM 964 C VAL B 34 -8.135 4.821 -16.456 1.00 75.34 C ATOM 965 O VAL B 34 -7.186 4.853 -15.676 1.00 22.53 O ATOM 966 CB VAL B 34 -10.463 5.685 -15.869 1.00 73.23 C ATOM 967 CG1 VAL B 34 -10.934 6.118 -17.259 1.00 64.01 C ATOM 968 CG2 VAL B 34 -11.654 5.402 -14.951 1.00 52.41 C ATOM 0 H VAL B 34 -9.727 4.406 -13.871 1.00 20.32 H new ATOM 0 HA VAL B 34 -9.984 3.791 -16.686 1.00 61.03 H new ATOM 0 HB VAL B 34 -9.894 6.508 -15.437 1.00 73.23 H new ATOM 0 HG11 VAL B 34 -11.589 6.984 -17.168 1.00 64.01 H new ATOM 0 HG12 VAL B 34 -10.071 6.379 -17.871 1.00 64.01 H new ATOM 0 HG13 VAL B 34 -11.478 5.299 -17.730 1.00 64.01 H new ATOM 0 HG21 VAL B 34 -12.295 6.282 -14.905 1.00 52.41 H new ATOM 0 HG22 VAL B 34 -12.223 4.558 -15.342 1.00 52.41 H new ATOM 0 HG23 VAL B 34 -11.294 5.164 -13.950 1.00 52.41 H new ATOM 978 N LYS B 35 -8.050 5.074 -17.754 1.00 0.40 N ATOM 979 CA LYS B 35 -6.779 5.422 -18.366 1.00 1.44 C ATOM 980 C LYS B 35 -6.807 6.892 -18.788 1.00 4.52 C ATOM 981 O LYS B 35 -7.820 7.379 -19.289 1.00 5.05 O ATOM 982 CB LYS B 35 -6.454 4.459 -19.510 1.00 13.44 C ATOM 983 CG LYS B 35 -6.446 5.189 -20.855 1.00 2.34 C ATOM 984 CD LYS B 35 -5.079 5.820 -21.128 1.00 14.22 C ATOM 985 CE LYS B 35 -4.893 6.100 -22.621 1.00 12.45 C ATOM 986 NZ LYS B 35 -4.591 4.848 -23.349 1.00 63.01 N ATOM 0 H LYS B 35 -8.840 5.045 -18.398 1.00 0.40 H new ATOM 0 HA LYS B 35 -5.967 5.312 -17.647 1.00 1.44 H new ATOM 0 HB2 LYS B 35 -5.482 3.998 -19.337 1.00 13.44 H new ATOM 0 HB3 LYS B 35 -7.189 3.655 -19.533 1.00 13.44 H new ATOM 0 HG2 LYS B 35 -6.694 4.490 -21.654 1.00 2.34 H new ATOM 0 HG3 LYS B 35 -7.215 5.962 -20.858 1.00 2.34 H new ATOM 0 HD2 LYS B 35 -4.984 6.749 -20.566 1.00 14.22 H new ATOM 0 HD3 LYS B 35 -4.290 5.154 -20.778 1.00 14.22 H new ATOM 0 HE2 LYS B 35 -5.796 6.555 -23.027 1.00 12.45 H new ATOM 0 HE3 LYS B 35 -4.083 6.816 -22.765 1.00 12.45 H new ATOM 0 HZ1 LYS B 35 -4.270 5.075 -24.312 1.00 63.01 H new ATOM 0 HZ2 LYS B 35 -3.843 4.327 -22.848 1.00 63.01 H new ATOM 0 HZ3 LYS B 35 -5.448 4.261 -23.400 1.00 63.01 H new ATOM 999 N GLN B 36 -5.682 7.558 -18.571 1.00 41.44 N ATOM 1000 CA GLN B 36 -5.564 8.963 -18.923 1.00 43.52 C ATOM 1001 C GLN B 36 -5.269 9.113 -20.417 1.00 14.41 C ATOM 1002 O GLN B 36 -4.151 9.450 -20.802 1.00 20.33 O ATOM 1003 CB GLN B 36 -4.489 9.651 -18.081 1.00 4.33 C ATOM 1004 CG GLN B 36 -4.552 9.186 -16.624 1.00 63.23 C ATOM 1005 CD GLN B 36 -5.693 9.876 -15.876 1.00 74.12 C ATOM 1006 OE1 GLN B 36 -5.592 11.014 -15.449 1.00 53.13 O ATOM 1007 NE2 GLN B 36 -6.784 9.126 -15.743 1.00 21.22 N ATOM 0 H GLN B 36 -4.844 7.151 -18.156 1.00 41.44 H new ATOM 0 HA GLN B 36 -6.515 9.452 -18.709 1.00 43.52 H new ATOM 0 HB2 GLN B 36 -3.504 9.433 -18.494 1.00 4.33 H new ATOM 0 HB3 GLN B 36 -4.622 10.732 -18.128 1.00 4.33 H new ATOM 0 HG2 GLN B 36 -4.691 8.105 -16.589 1.00 63.23 H new ATOM 0 HG3 GLN B 36 -3.605 9.402 -16.129 1.00 63.23 H new ATOM 0 HE21 GLN B 36 -6.802 8.180 -16.124 1.00 21.22 H new ATOM 0 HE22 GLN B 36 -7.602 9.497 -15.260 1.00 21.22 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -3.021 -9.800 -14.539 1.00 42.03 ZN HETATM 1018 ZN ZN B 37 -10.337 2.775 -7.790 1.00 12.44 ZN