USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 525 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 2 LYS NZ :NH3+ -174:sc=-0.00311 (180deg=-0.0413) USER MOD Single : A 4 TYR OH : rot 40:sc= 0.347 USER MOD Single : A 7 ASN : amide:sc= -2.8 K(o=-2.8,f=-5!) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.126) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.596 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -61:sc= 0 USER MOD Single : A 65 SER OG : rot 40:sc= -2.89! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.116 -1.316 -0.980 1.00 52.14 N ATOM 19 CA LYS A 2 5.534 -1.013 -0.830 1.00 22.43 C ATOM 20 C LYS A 2 6.077 -0.315 -2.072 1.00 54.34 C ATOM 21 O LYS A 2 5.758 -0.695 -3.199 1.00 41.32 O ATOM 22 CB LYS A 2 6.325 -2.297 -0.567 1.00 3.21 C ATOM 23 CG LYS A 2 5.999 -2.950 0.765 1.00 64.31 C ATOM 24 CD LYS A 2 7.185 -3.730 1.308 1.00 0.14 C ATOM 25 CE LYS A 2 8.009 -2.891 2.273 1.00 13.23 C ATOM 26 NZ LYS A 2 9.193 -2.281 1.607 1.00 74.12 N ATOM 0 HA LYS A 2 5.648 -0.341 0.021 1.00 22.43 H new ATOM 0 HB2 LYS A 2 6.125 -3.008 -1.369 1.00 3.21 H new ATOM 0 HB3 LYS A 2 7.391 -2.070 -0.600 1.00 3.21 H new ATOM 0 HG2 LYS A 2 5.705 -2.185 1.484 1.00 64.31 H new ATOM 0 HG3 LYS A 2 5.147 -3.619 0.645 1.00 64.31 H new ATOM 0 HD2 LYS A 2 6.830 -4.627 1.816 1.00 0.14 H new ATOM 0 HD3 LYS A 2 7.815 -4.059 0.481 1.00 0.14 H new ATOM 0 HE2 LYS A 2 7.384 -2.104 2.695 1.00 13.23 H new ATOM 0 HE3 LYS A 2 8.341 -3.514 3.104 1.00 13.23 H new ATOM 0 HZ1 LYS A 2 9.783 -1.802 2.317 1.00 74.12 H new ATOM 0 HZ2 LYS A 2 9.750 -3.025 1.139 1.00 74.12 H new ATOM 0 HZ3 LYS A 2 8.875 -1.589 0.898 1.00 74.12 H new ATOM 40 N VAL A 3 6.899 0.708 -1.860 1.00 33.14 N ATOM 41 CA VAL A 3 7.488 1.458 -2.963 1.00 34.24 C ATOM 42 C VAL A 3 8.972 1.712 -2.724 1.00 72.31 C ATOM 43 O VAL A 3 9.409 1.873 -1.585 1.00 4.14 O ATOM 44 CB VAL A 3 6.774 2.807 -3.168 1.00 53.13 C ATOM 45 CG1 VAL A 3 6.925 3.277 -4.607 1.00 12.51 C ATOM 46 CG2 VAL A 3 5.305 2.696 -2.786 1.00 44.13 C ATOM 0 H VAL A 3 7.172 1.036 -0.934 1.00 33.14 H new ATOM 0 HA VAL A 3 7.366 0.851 -3.860 1.00 34.24 H new ATOM 0 HB VAL A 3 7.240 3.548 -2.518 1.00 53.13 H new ATOM 0 HG11 VAL A 3 6.414 4.232 -4.733 1.00 12.51 H new ATOM 0 HG12 VAL A 3 7.983 3.397 -4.841 1.00 12.51 H new ATOM 0 HG13 VAL A 3 6.486 2.539 -5.279 1.00 12.51 H new ATOM 0 HG21 VAL A 3 4.816 3.658 -2.937 1.00 44.13 H new ATOM 0 HG22 VAL A 3 4.823 1.942 -3.409 1.00 44.13 H new ATOM 0 HG23 VAL A 3 5.222 2.408 -1.738 1.00 44.13 H new ATOM 56 N TYR A 4 9.742 1.746 -3.806 1.00 54.40 N ATOM 57 CA TYR A 4 11.178 1.979 -3.715 1.00 21.12 C ATOM 58 C TYR A 4 11.637 2.975 -4.776 1.00 22.52 C ATOM 59 O TYR A 4 11.486 2.737 -5.974 1.00 61.42 O ATOM 60 CB TYR A 4 11.940 0.662 -3.872 1.00 21.04 C ATOM 61 CG TYR A 4 13.084 0.738 -4.857 1.00 63.01 C ATOM 62 CD1 TYR A 4 14.285 1.346 -4.512 1.00 61.33 C ATOM 63 CD2 TYR A 4 12.965 0.201 -6.133 1.00 74.01 C ATOM 64 CE1 TYR A 4 15.333 1.418 -5.410 1.00 13.02 C ATOM 65 CE2 TYR A 4 14.007 0.267 -7.037 1.00 4.43 C ATOM 66 CZ TYR A 4 15.189 0.877 -6.671 1.00 1.34 C ATOM 67 OH TYR A 4 16.231 0.946 -7.567 1.00 52.11 O ATOM 0 H TYR A 4 9.395 1.615 -4.756 1.00 54.40 H new ATOM 0 HA TYR A 4 11.391 2.400 -2.732 1.00 21.12 H new ATOM 0 HB2 TYR A 4 12.328 0.359 -2.900 1.00 21.04 H new ATOM 0 HB3 TYR A 4 11.245 -0.114 -4.194 1.00 21.04 H new ATOM 0 HD1 TYR A 4 14.401 1.769 -3.525 1.00 61.33 H new ATOM 0 HD2 TYR A 4 12.041 -0.277 -6.423 1.00 74.01 H new ATOM 0 HE1 TYR A 4 16.259 1.895 -5.126 1.00 13.02 H new ATOM 0 HE2 TYR A 4 13.897 -0.156 -8.024 1.00 4.43 H new ATOM 0 HH TYR A 4 17.076 0.777 -7.100 1.00 52.11 H new ATOM 77 N VAL A 5 12.200 4.092 -4.326 1.00 32.44 N ATOM 78 CA VAL A 5 12.684 5.124 -5.234 1.00 75.05 C ATOM 79 C VAL A 5 14.198 5.269 -5.145 1.00 5.21 C ATOM 80 O VAL A 5 14.721 5.864 -4.203 1.00 40.14 O ATOM 81 CB VAL A 5 12.030 6.486 -4.936 1.00 13.15 C ATOM 82 CG1 VAL A 5 10.577 6.492 -5.387 1.00 21.11 C ATOM 83 CG2 VAL A 5 12.138 6.815 -3.454 1.00 74.22 C ATOM 0 H VAL A 5 12.332 4.305 -3.337 1.00 32.44 H new ATOM 0 HA VAL A 5 12.411 4.811 -6.242 1.00 75.05 H new ATOM 0 HB VAL A 5 12.562 7.255 -5.496 1.00 13.15 H new ATOM 0 HG11 VAL A 5 10.132 7.463 -5.168 1.00 21.11 H new ATOM 0 HG12 VAL A 5 10.528 6.304 -6.460 1.00 21.11 H new ATOM 0 HG13 VAL A 5 10.028 5.713 -4.857 1.00 21.11 H new ATOM 0 HG21 VAL A 5 11.671 7.781 -3.261 1.00 74.22 H new ATOM 0 HG22 VAL A 5 11.632 6.044 -2.872 1.00 74.22 H new ATOM 0 HG23 VAL A 5 13.188 6.856 -3.166 1.00 74.22 H new ATOM 93 N GLY A 6 14.900 4.721 -6.133 1.00 13.02 N ATOM 94 CA GLY A 6 16.349 4.801 -6.147 1.00 74.40 C ATOM 95 C GLY A 6 16.867 5.740 -7.218 1.00 2.03 C ATOM 96 O GLY A 6 16.091 6.439 -7.868 1.00 5.21 O ATOM 0 H GLY A 6 14.491 4.223 -6.924 1.00 13.02 H new ATOM 0 HA2 GLY A 6 16.701 5.138 -5.172 1.00 74.40 H new ATOM 0 HA3 GLY A 6 16.763 3.806 -6.309 1.00 74.40 H new ATOM 100 N ASN A 7 18.184 5.758 -7.400 1.00 74.54 N ATOM 101 CA ASN A 7 18.805 6.620 -8.398 1.00 43.34 C ATOM 102 C ASN A 7 18.527 8.090 -8.096 1.00 65.31 C ATOM 103 O ASN A 7 17.776 8.751 -8.814 1.00 4.40 O ATOM 104 CB ASN A 7 18.292 6.270 -9.797 1.00 22.24 C ATOM 105 CG ASN A 7 18.897 4.985 -10.329 1.00 43.32 C ATOM 106 OD1 ASN A 7 19.426 4.949 -11.440 1.00 45.32 O ATOM 107 ND2 ASN A 7 18.821 3.922 -9.537 1.00 2.53 N ATOM 0 H ASN A 7 18.841 5.186 -6.869 1.00 74.54 H new ATOM 0 HA ASN A 7 19.882 6.457 -8.362 1.00 43.34 H new ATOM 0 HB2 ASN A 7 17.207 6.173 -9.770 1.00 22.24 H new ATOM 0 HB3 ASN A 7 18.522 7.087 -10.481 1.00 22.24 H new ATOM 0 HD21 ASN A 7 19.210 3.030 -9.842 1.00 2.53 H new ATOM 0 HD22 ASN A 7 18.373 3.998 -8.624 1.00 2.53 H new ATOM 114 N LEU A 8 19.138 8.594 -7.030 1.00 3.31 N ATOM 115 CA LEU A 8 18.958 9.986 -6.632 1.00 50.21 C ATOM 116 C LEU A 8 20.296 10.631 -6.285 1.00 30.02 C ATOM 117 O LEU A 8 20.978 10.207 -5.353 1.00 33.24 O ATOM 118 CB LEU A 8 18.010 10.076 -5.435 1.00 55.44 C ATOM 119 CG LEU A 8 16.644 9.411 -5.610 1.00 14.51 C ATOM 120 CD1 LEU A 8 16.633 8.036 -4.961 1.00 14.22 C ATOM 121 CD2 LEU A 8 15.545 10.288 -5.026 1.00 23.14 C ATOM 0 H LEU A 8 19.762 8.060 -6.426 1.00 3.31 H new ATOM 0 HA LEU A 8 18.523 10.525 -7.474 1.00 50.21 H new ATOM 0 HB2 LEU A 8 18.502 9.627 -4.572 1.00 55.44 H new ATOM 0 HB3 LEU A 8 17.852 11.129 -5.200 1.00 55.44 H new ATOM 0 HG LEU A 8 16.455 9.288 -6.676 1.00 14.51 H new ATOM 0 HD11 LEU A 8 15.653 7.578 -5.096 1.00 14.22 H new ATOM 0 HD12 LEU A 8 17.394 7.408 -5.425 1.00 14.22 H new ATOM 0 HD13 LEU A 8 16.844 8.135 -3.896 1.00 14.22 H new ATOM 0 HD21 LEU A 8 14.580 9.799 -5.159 1.00 23.14 H new ATOM 0 HD22 LEU A 8 15.729 10.443 -3.963 1.00 23.14 H new ATOM 0 HD23 LEU A 8 15.538 11.251 -5.537 1.00 23.14 H new ATOM 161 N ALA A 12 17.660 16.004 -6.745 1.00 73.33 N ATOM 162 CA ALA A 12 16.375 15.320 -6.654 1.00 44.43 C ATOM 163 C ALA A 12 16.408 14.229 -5.589 1.00 44.35 C ATOM 164 O ALA A 12 16.991 13.166 -5.795 1.00 24.54 O ATOM 165 CB ALA A 12 15.994 14.732 -8.004 1.00 61.44 C ATOM 0 HA ALA A 12 15.621 16.052 -6.363 1.00 44.43 H new ATOM 0 HB1 ALA A 12 15.033 14.224 -7.922 1.00 61.44 H new ATOM 0 HB2 ALA A 12 15.920 15.531 -8.741 1.00 61.44 H new ATOM 0 HB3 ALA A 12 16.756 14.018 -8.318 1.00 61.44 H new ATOM 171 N GLY A 13 15.779 14.501 -4.450 1.00 52.13 N ATOM 172 CA GLY A 13 15.749 13.533 -3.370 1.00 21.32 C ATOM 173 C GLY A 13 14.450 13.573 -2.590 1.00 53.33 C ATOM 174 O GLY A 13 13.370 13.413 -3.160 1.00 32.14 O ATOM 0 H GLY A 13 15.290 15.375 -4.256 1.00 52.13 H new ATOM 0 HA2 GLY A 13 15.893 12.533 -3.779 1.00 21.32 H new ATOM 0 HA3 GLY A 13 16.582 13.723 -2.693 1.00 21.32 H new ATOM 178 N LYS A 14 14.552 13.787 -1.283 1.00 23.41 N ATOM 179 CA LYS A 14 13.377 13.847 -0.423 1.00 12.55 C ATOM 180 C LYS A 14 12.337 14.809 -0.989 1.00 41.10 C ATOM 181 O LYS A 14 11.181 14.440 -1.191 1.00 10.10 O ATOM 182 CB LYS A 14 13.775 14.284 0.989 1.00 33.33 C ATOM 183 CG LYS A 14 12.769 13.885 2.055 1.00 14.53 C ATOM 184 CD LYS A 14 11.939 15.074 2.511 1.00 4.24 C ATOM 185 CE LYS A 14 10.479 14.695 2.701 1.00 54.02 C ATOM 186 NZ LYS A 14 10.321 13.538 3.625 1.00 63.11 N ATOM 0 H LYS A 14 15.438 13.922 -0.796 1.00 23.41 H new ATOM 0 HA LYS A 14 12.939 12.850 -0.379 1.00 12.55 H new ATOM 0 HB2 LYS A 14 14.744 13.850 1.235 1.00 33.33 H new ATOM 0 HB3 LYS A 14 13.898 15.367 1.004 1.00 33.33 H new ATOM 0 HG2 LYS A 14 12.111 13.109 1.663 1.00 14.53 H new ATOM 0 HG3 LYS A 14 13.293 13.457 2.909 1.00 14.53 H new ATOM 0 HD2 LYS A 14 12.340 15.461 3.448 1.00 4.24 H new ATOM 0 HD3 LYS A 14 12.015 15.875 1.776 1.00 4.24 H new ATOM 0 HE2 LYS A 14 9.930 15.551 3.094 1.00 54.02 H new ATOM 0 HE3 LYS A 14 10.039 14.450 1.734 1.00 54.02 H new ATOM 0 HZ1 LYS A 14 9.332 13.479 3.942 1.00 63.11 H new ATOM 0 HZ2 LYS A 14 10.579 12.661 3.130 1.00 63.11 H new ATOM 0 HZ3 LYS A 14 10.942 13.665 4.450 1.00 63.11 H new ATOM 200 N GLY A 15 12.757 16.044 -1.245 1.00 1.51 N ATOM 201 CA GLY A 15 11.850 17.039 -1.787 1.00 40.11 C ATOM 202 C GLY A 15 11.296 16.642 -3.141 1.00 65.02 C ATOM 203 O GLY A 15 10.115 16.844 -3.419 1.00 32.35 O ATOM 0 H GLY A 15 13.709 16.373 -1.087 1.00 1.51 H new ATOM 0 HA2 GLY A 15 11.025 17.192 -1.091 1.00 40.11 H new ATOM 0 HA3 GLY A 15 12.372 17.992 -1.877 1.00 40.11 H new ATOM 207 N GLU A 16 12.153 16.077 -3.987 1.00 0.34 N ATOM 208 CA GLU A 16 11.742 15.654 -5.320 1.00 62.21 C ATOM 209 C GLU A 16 10.670 14.571 -5.241 1.00 23.43 C ATOM 210 O GLU A 16 9.573 14.726 -5.779 1.00 3.01 O ATOM 211 CB GLU A 16 12.947 15.137 -6.109 1.00 42.52 C ATOM 212 CG GLU A 16 12.937 15.547 -7.572 1.00 45.33 C ATOM 213 CD GLU A 16 13.685 16.843 -7.820 1.00 64.12 C ATOM 214 OE1 GLU A 16 13.958 17.567 -6.840 1.00 23.54 O ATOM 215 OE2 GLU A 16 13.997 17.133 -8.994 1.00 3.31 O ATOM 0 H GLU A 16 13.135 15.902 -3.772 1.00 0.34 H new ATOM 0 HA GLU A 16 11.323 16.519 -5.835 1.00 62.21 H new ATOM 0 HB2 GLU A 16 13.861 15.505 -5.643 1.00 42.52 H new ATOM 0 HB3 GLU A 16 12.973 14.049 -6.045 1.00 42.52 H new ATOM 0 HG2 GLU A 16 13.384 14.754 -8.171 1.00 45.33 H new ATOM 0 HG3 GLU A 16 11.906 15.657 -7.908 1.00 45.33 H new ATOM 222 N LEU A 17 10.996 13.473 -4.567 1.00 13.13 N ATOM 223 CA LEU A 17 10.062 12.362 -4.416 1.00 52.45 C ATOM 224 C LEU A 17 8.834 12.788 -3.617 1.00 62.52 C ATOM 225 O LEU A 17 7.744 12.248 -3.803 1.00 50.23 O ATOM 226 CB LEU A 17 10.749 11.182 -3.728 1.00 2.01 C ATOM 227 CG LEU A 17 10.624 11.128 -2.205 1.00 33.50 C ATOM 228 CD1 LEU A 17 9.357 10.390 -1.800 1.00 13.42 C ATOM 229 CD2 LEU A 17 11.848 10.464 -1.592 1.00 62.54 C ATOM 0 H LEU A 17 11.900 13.328 -4.117 1.00 13.13 H new ATOM 0 HA LEU A 17 9.737 12.055 -5.410 1.00 52.45 H new ATOM 0 HB2 LEU A 17 10.340 10.259 -4.139 1.00 2.01 H new ATOM 0 HB3 LEU A 17 11.808 11.204 -3.985 1.00 2.01 H new ATOM 0 HG LEU A 17 10.563 12.149 -1.828 1.00 33.50 H new ATOM 0 HD11 LEU A 17 9.284 10.361 -0.713 1.00 13.42 H new ATOM 0 HD12 LEU A 17 8.489 10.907 -2.208 1.00 13.42 H new ATOM 0 HD13 LEU A 17 9.389 9.372 -2.189 1.00 13.42 H new ATOM 0 HD21 LEU A 17 11.741 10.435 -0.508 1.00 62.54 H new ATOM 0 HD22 LEU A 17 11.941 9.448 -1.975 1.00 62.54 H new ATOM 0 HD23 LEU A 17 12.740 11.033 -1.853 1.00 62.54 H new ATOM 241 N GLU A 18 9.020 13.759 -2.729 1.00 31.01 N ATOM 242 CA GLU A 18 7.926 14.257 -1.903 1.00 24.02 C ATOM 243 C GLU A 18 6.865 14.940 -2.760 1.00 14.33 C ATOM 244 O GLU A 18 5.684 14.597 -2.695 1.00 62.53 O ATOM 245 CB GLU A 18 8.456 15.235 -0.852 1.00 21.32 C ATOM 246 CG GLU A 18 7.361 15.918 -0.049 1.00 64.15 C ATOM 247 CD GLU A 18 6.471 14.931 0.680 1.00 13.22 C ATOM 248 OE1 GLU A 18 6.974 14.234 1.585 1.00 31.43 O ATOM 249 OE2 GLU A 18 5.270 14.857 0.346 1.00 53.34 O ATOM 0 H GLU A 18 9.917 14.216 -2.563 1.00 31.01 H new ATOM 0 HA GLU A 18 7.468 13.406 -1.399 1.00 24.02 H new ATOM 0 HB2 GLU A 18 9.115 14.699 -0.169 1.00 21.32 H new ATOM 0 HB3 GLU A 18 9.060 15.995 -1.347 1.00 21.32 H new ATOM 0 HG2 GLU A 18 7.815 16.595 0.674 1.00 64.15 H new ATOM 0 HG3 GLU A 18 6.752 16.527 -0.717 1.00 64.15 H new ATOM 256 N ARG A 19 7.293 15.910 -3.561 1.00 24.00 N ATOM 257 CA ARG A 19 6.380 16.643 -4.429 1.00 44.24 C ATOM 258 C ARG A 19 5.758 15.717 -5.470 1.00 34.34 C ATOM 259 O ARG A 19 4.572 15.826 -5.783 1.00 5.15 O ATOM 260 CB ARG A 19 7.116 17.789 -5.127 1.00 13.23 C ATOM 261 CG ARG A 19 6.214 18.654 -5.993 1.00 21.23 C ATOM 262 CD ARG A 19 7.021 19.614 -6.853 1.00 24.34 C ATOM 263 NE ARG A 19 7.969 20.393 -6.061 1.00 1.23 N ATOM 264 CZ ARG A 19 8.716 21.371 -6.562 1.00 14.24 C ATOM 265 NH1 ARG A 19 8.625 21.688 -7.846 1.00 34.02 N ATOM 266 NH2 ARG A 19 9.555 22.035 -5.777 1.00 61.10 N ATOM 0 H ARG A 19 8.267 16.207 -3.627 1.00 24.00 H new ATOM 0 HA ARG A 19 5.583 17.054 -3.810 1.00 44.24 H new ATOM 0 HB2 ARG A 19 7.592 18.416 -4.373 1.00 13.23 H new ATOM 0 HB3 ARG A 19 7.912 17.375 -5.746 1.00 13.23 H new ATOM 0 HG2 ARG A 19 5.602 18.017 -6.632 1.00 21.23 H new ATOM 0 HG3 ARG A 19 5.531 19.219 -5.358 1.00 21.23 H new ATOM 0 HD2 ARG A 19 7.561 19.052 -7.615 1.00 24.34 H new ATOM 0 HD3 ARG A 19 6.344 20.290 -7.375 1.00 24.34 H new ATOM 0 HE ARG A 19 8.063 20.174 -5.069 1.00 1.23 H new ATOM 0 HH11 ARG A 19 7.980 21.181 -8.452 1.00 34.02 H new ATOM 0 HH12 ARG A 19 9.200 22.439 -8.228 1.00 34.02 H new ATOM 0 HH21 ARG A 19 9.627 21.795 -4.788 1.00 61.10 H new ATOM 0 HH22 ARG A 19 10.128 22.786 -6.162 1.00 61.10 H new ATOM 280 N ALA A 20 6.565 14.805 -6.002 1.00 3.31 N ATOM 281 CA ALA A 20 6.093 13.859 -7.005 1.00 44.23 C ATOM 282 C ALA A 20 5.018 12.942 -6.432 1.00 42.14 C ATOM 283 O ALA A 20 3.859 12.995 -6.844 1.00 62.22 O ATOM 284 CB ALA A 20 7.256 13.040 -7.546 1.00 32.53 C ATOM 0 H ALA A 20 7.549 14.701 -5.755 1.00 3.31 H new ATOM 0 HA ALA A 20 5.650 14.426 -7.824 1.00 44.23 H new ATOM 0 HB1 ALA A 20 6.889 12.337 -8.294 1.00 32.53 H new ATOM 0 HB2 ALA A 20 7.989 13.706 -8.002 1.00 32.53 H new ATOM 0 HB3 ALA A 20 7.724 12.489 -6.730 1.00 32.53 H new ATOM 290 N PHE A 21 5.410 12.101 -5.481 1.00 11.23 N ATOM 291 CA PHE A 21 4.479 11.171 -4.852 1.00 64.34 C ATOM 292 C PHE A 21 3.228 11.897 -4.368 1.00 1.14 C ATOM 293 O PHE A 21 2.106 11.454 -4.612 1.00 40.03 O ATOM 294 CB PHE A 21 5.154 10.455 -3.680 1.00 10.50 C ATOM 295 CG PHE A 21 5.932 9.237 -4.088 1.00 50.35 C ATOM 296 CD1 PHE A 21 7.115 9.361 -4.799 1.00 21.32 C ATOM 297 CD2 PHE A 21 5.480 7.969 -3.763 1.00 33.24 C ATOM 298 CE1 PHE A 21 7.834 8.242 -5.176 1.00 33.20 C ATOM 299 CE2 PHE A 21 6.194 6.846 -4.137 1.00 1.43 C ATOM 300 CZ PHE A 21 7.372 6.983 -4.845 1.00 71.02 C ATOM 0 H PHE A 21 6.366 12.044 -5.129 1.00 11.23 H new ATOM 0 HA PHE A 21 4.183 10.433 -5.597 1.00 64.34 H new ATOM 0 HB2 PHE A 21 5.824 11.152 -3.176 1.00 10.50 H new ATOM 0 HB3 PHE A 21 4.393 10.164 -2.956 1.00 10.50 H new ATOM 0 HD1 PHE A 21 7.479 10.343 -5.062 1.00 21.32 H new ATOM 0 HD2 PHE A 21 4.559 7.856 -3.211 1.00 33.24 H new ATOM 0 HE1 PHE A 21 8.755 8.352 -5.728 1.00 33.20 H new ATOM 0 HE2 PHE A 21 5.831 5.863 -3.876 1.00 1.43 H new ATOM 0 HZ PHE A 21 7.931 6.107 -5.139 1.00 71.02 H new ATOM 310 N SER A 22 3.430 13.015 -3.678 1.00 50.41 N ATOM 311 CA SER A 22 2.319 13.802 -3.154 1.00 62.35 C ATOM 312 C SER A 22 1.409 14.275 -4.284 1.00 11.13 C ATOM 313 O SER A 22 0.184 14.243 -4.163 1.00 50.34 O ATOM 314 CB SER A 22 2.844 15.005 -2.369 1.00 21.01 C ATOM 315 OG SER A 22 1.800 15.641 -1.652 1.00 21.54 O ATOM 0 H SER A 22 4.353 13.396 -3.469 1.00 50.41 H new ATOM 0 HA SER A 22 1.739 13.166 -2.485 1.00 62.35 H new ATOM 0 HB2 SER A 22 3.620 14.680 -1.676 1.00 21.01 H new ATOM 0 HB3 SER A 22 3.305 15.717 -3.054 1.00 21.01 H new ATOM 0 HG SER A 22 2.162 16.406 -1.157 1.00 21.54 H new ATOM 321 N TYR A 23 2.017 14.714 -5.380 1.00 73.22 N ATOM 322 CA TYR A 23 1.263 15.197 -6.531 1.00 35.51 C ATOM 323 C TYR A 23 0.344 14.107 -7.077 1.00 4.04 C ATOM 324 O TYR A 23 -0.814 14.363 -7.407 1.00 44.23 O ATOM 325 CB TYR A 23 2.216 15.673 -7.628 1.00 75.25 C ATOM 326 CG TYR A 23 2.437 17.168 -7.631 1.00 1.50 C ATOM 327 CD1 TYR A 23 2.623 17.865 -6.444 1.00 2.25 C ATOM 328 CD2 TYR A 23 2.461 17.885 -8.821 1.00 61.25 C ATOM 329 CE1 TYR A 23 2.825 19.232 -6.441 1.00 61.23 C ATOM 330 CE2 TYR A 23 2.664 19.251 -8.829 1.00 11.31 C ATOM 331 CZ TYR A 23 2.845 19.920 -7.636 1.00 52.33 C ATOM 332 OH TYR A 23 3.047 21.281 -7.638 1.00 41.44 O ATOM 0 H TYR A 23 3.030 14.745 -5.496 1.00 73.22 H new ATOM 0 HA TYR A 23 0.648 16.036 -6.204 1.00 35.51 H new ATOM 0 HB2 TYR A 23 3.177 15.172 -7.506 1.00 75.25 H new ATOM 0 HB3 TYR A 23 1.820 15.371 -8.598 1.00 75.25 H new ATOM 0 HD1 TYR A 23 2.610 17.329 -5.507 1.00 2.25 H new ATOM 0 HD2 TYR A 23 2.318 17.365 -9.757 1.00 61.25 H new ATOM 0 HE1 TYR A 23 2.966 19.758 -5.509 1.00 61.23 H new ATOM 0 HE2 TYR A 23 2.681 19.792 -9.763 1.00 11.31 H new ATOM 0 HH TYR A 23 3.034 21.612 -8.560 1.00 41.44 H new ATOM 342 N TYR A 24 0.870 12.891 -7.167 1.00 61.50 N ATOM 343 CA TYR A 24 0.100 11.761 -7.674 1.00 31.11 C ATOM 344 C TYR A 24 -0.964 11.332 -6.668 1.00 61.31 C ATOM 345 O TYR A 24 -2.065 10.933 -7.044 1.00 73.12 O ATOM 346 CB TYR A 24 1.026 10.584 -7.987 1.00 2.54 C ATOM 347 CG TYR A 24 1.662 10.662 -9.356 1.00 70.22 C ATOM 348 CD1 TYR A 24 2.674 11.575 -9.623 1.00 65.14 C ATOM 349 CD2 TYR A 24 1.251 9.821 -10.383 1.00 34.20 C ATOM 350 CE1 TYR A 24 3.257 11.649 -10.874 1.00 5.44 C ATOM 351 CE2 TYR A 24 1.829 9.887 -11.636 1.00 10.22 C ATOM 352 CZ TYR A 24 2.832 10.803 -11.876 1.00 55.43 C ATOM 353 OH TYR A 24 3.411 10.874 -13.123 1.00 32.45 O ATOM 0 H TYR A 24 1.826 12.662 -6.896 1.00 61.50 H new ATOM 0 HA TYR A 24 -0.398 12.076 -8.591 1.00 31.11 H new ATOM 0 HB2 TYR A 24 1.812 10.540 -7.233 1.00 2.54 H new ATOM 0 HB3 TYR A 24 0.459 9.656 -7.911 1.00 2.54 H new ATOM 0 HD1 TYR A 24 3.011 12.238 -8.840 1.00 65.14 H new ATOM 0 HD2 TYR A 24 0.466 9.103 -10.198 1.00 34.20 H new ATOM 0 HE1 TYR A 24 4.042 12.366 -11.066 1.00 5.44 H new ATOM 0 HE2 TYR A 24 1.498 9.226 -12.423 1.00 10.22 H new ATOM 0 HH TYR A 24 4.341 11.170 -13.035 1.00 32.45 H new ATOM 363 N GLY A 25 -0.625 11.418 -5.385 1.00 72.31 N ATOM 364 CA GLY A 25 -1.561 11.036 -4.344 1.00 21.23 C ATOM 365 C GLY A 25 -0.903 10.932 -2.982 1.00 65.03 C ATOM 366 O GLY A 25 0.312 10.766 -2.867 1.00 70.14 O ATOM 0 H GLY A 25 0.281 11.745 -5.048 1.00 72.31 H new ATOM 0 HA2 GLY A 25 -2.368 11.767 -4.299 1.00 21.23 H new ATOM 0 HA3 GLY A 25 -2.013 10.078 -4.600 1.00 21.23 H new ATOM 370 N PRO A 26 -1.714 11.033 -1.919 1.00 60.40 N ATOM 371 CA PRO A 26 -1.225 10.953 -0.539 1.00 63.05 C ATOM 372 C PRO A 26 -0.755 9.550 -0.171 1.00 63.12 C ATOM 373 O PRO A 26 -1.556 8.619 -0.081 1.00 15.10 O ATOM 374 CB PRO A 26 -2.448 11.343 0.294 1.00 40.11 C ATOM 375 CG PRO A 26 -3.616 10.999 -0.564 1.00 72.21 C ATOM 376 CD PRO A 26 -3.172 11.231 -1.982 1.00 3.33 C ATOM 0 HA PRO A 26 -0.359 11.595 -0.376 1.00 63.05 H new ATOM 0 HB2 PRO A 26 -2.475 10.797 1.237 1.00 40.11 H new ATOM 0 HB3 PRO A 26 -2.437 12.405 0.541 1.00 40.11 H new ATOM 0 HG2 PRO A 26 -3.918 9.962 -0.414 1.00 72.21 H new ATOM 0 HG3 PRO A 26 -4.477 11.620 -0.318 1.00 72.21 H new ATOM 0 HD2 PRO A 26 -3.643 10.530 -2.671 1.00 3.33 H new ATOM 0 HD3 PRO A 26 -3.427 12.234 -2.324 1.00 3.33 H new ATOM 384 N LEU A 27 0.549 9.404 0.041 1.00 15.31 N ATOM 385 CA LEU A 27 1.126 8.114 0.401 1.00 73.33 C ATOM 386 C LEU A 27 1.081 7.899 1.910 1.00 32.41 C ATOM 387 O LEU A 27 0.583 8.745 2.653 1.00 23.21 O ATOM 388 CB LEU A 27 2.570 8.022 -0.096 1.00 55.32 C ATOM 389 CG LEU A 27 3.408 9.294 0.040 1.00 21.43 C ATOM 390 CD1 LEU A 27 3.421 9.772 1.484 1.00 52.33 C ATOM 391 CD2 LEU A 27 4.826 9.053 -0.456 1.00 63.12 C ATOM 0 H LEU A 27 1.226 10.163 -0.030 1.00 15.31 H new ATOM 0 HA LEU A 27 0.534 7.333 -0.076 1.00 73.33 H new ATOM 0 HB2 LEU A 27 3.070 7.221 0.448 1.00 55.32 H new ATOM 0 HB3 LEU A 27 2.554 7.732 -1.147 1.00 55.32 H new ATOM 0 HG LEU A 27 2.956 10.072 -0.575 1.00 21.43 H new ATOM 0 HD11 LEU A 27 4.022 10.678 1.562 1.00 52.33 H new ATOM 0 HD12 LEU A 27 2.402 9.984 1.806 1.00 52.33 H new ATOM 0 HD13 LEU A 27 3.849 8.997 2.120 1.00 52.33 H new ATOM 0 HD21 LEU A 27 5.408 9.968 -0.352 1.00 63.12 H new ATOM 0 HD22 LEU A 27 5.288 8.260 0.133 1.00 63.12 H new ATOM 0 HD23 LEU A 27 4.799 8.757 -1.505 1.00 63.12 H new ATOM 403 N ARG A 28 1.605 6.762 2.357 1.00 44.05 N ATOM 404 CA ARG A 28 1.626 6.436 3.777 1.00 1.34 C ATOM 405 C ARG A 28 2.802 7.114 4.474 1.00 45.44 C ATOM 406 O ARG A 28 2.636 7.767 5.504 1.00 1.54 O ATOM 407 CB ARG A 28 1.708 4.921 3.974 1.00 13.40 C ATOM 408 CG ARG A 28 0.553 4.349 4.779 1.00 31.35 C ATOM 409 CD ARG A 28 0.996 3.939 6.175 1.00 3.53 C ATOM 410 NE ARG A 28 0.079 4.422 7.204 1.00 5.54 N ATOM 411 CZ ARG A 28 -1.108 3.877 7.446 1.00 43.44 C ATOM 412 NH1 ARG A 28 -1.519 2.836 6.735 1.00 14.25 N ATOM 413 NH2 ARG A 28 -1.885 4.374 8.399 1.00 35.43 N ATOM 0 H ARG A 28 2.021 6.051 1.755 1.00 44.05 H new ATOM 0 HA ARG A 28 0.701 6.804 4.221 1.00 1.34 H new ATOM 0 HB2 ARG A 28 1.734 4.437 2.998 1.00 13.40 H new ATOM 0 HB3 ARG A 28 2.645 4.678 4.476 1.00 13.40 H new ATOM 0 HG2 ARG A 28 -0.243 5.090 4.852 1.00 31.35 H new ATOM 0 HG3 ARG A 28 0.138 3.485 4.259 1.00 31.35 H new ATOM 0 HD2 ARG A 28 1.062 2.852 6.230 1.00 3.53 H new ATOM 0 HD3 ARG A 28 1.995 4.330 6.368 1.00 3.53 H new ATOM 0 HE ARG A 28 0.366 5.222 7.768 1.00 5.54 H new ATOM 0 HH11 ARG A 28 -0.923 2.453 6.001 1.00 14.25 H new ATOM 0 HH12 ARG A 28 -2.431 2.419 6.922 1.00 14.25 H new ATOM 0 HH21 ARG A 28 -1.571 5.175 8.947 1.00 35.43 H new ATOM 0 HH22 ARG A 28 -2.796 3.955 8.584 1.00 35.43 H new ATOM 427 N THR A 29 3.993 6.955 3.904 1.00 71.33 N ATOM 428 CA THR A 29 5.197 7.549 4.470 1.00 42.34 C ATOM 429 C THR A 29 6.332 7.568 3.452 1.00 72.33 C ATOM 430 O THR A 29 6.272 6.887 2.428 1.00 53.24 O ATOM 431 CB THR A 29 5.662 6.789 5.726 1.00 61.01 C ATOM 432 OG1 THR A 29 5.173 5.444 5.693 1.00 21.53 O ATOM 433 CG2 THR A 29 5.173 7.481 6.989 1.00 0.12 C ATOM 0 H THR A 29 4.149 6.419 3.050 1.00 71.33 H new ATOM 0 HA THR A 29 4.944 8.572 4.747 1.00 42.34 H new ATOM 0 HB THR A 29 6.752 6.779 5.735 1.00 61.01 H new ATOM 0 HG1 THR A 29 5.474 4.967 6.494 1.00 21.53 H new ATOM 0 HG21 THR A 29 5.514 6.926 7.863 1.00 0.12 H new ATOM 0 HG22 THR A 29 5.571 8.495 7.025 1.00 0.12 H new ATOM 0 HG23 THR A 29 4.084 7.518 6.985 1.00 0.12 H new ATOM 441 N VAL A 30 7.367 8.351 3.740 1.00 33.41 N ATOM 442 CA VAL A 30 8.517 8.456 2.850 1.00 12.02 C ATOM 443 C VAL A 30 9.819 8.212 3.604 1.00 22.11 C ATOM 444 O VAL A 30 9.948 8.572 4.774 1.00 34.12 O ATOM 445 CB VAL A 30 8.579 9.839 2.175 1.00 71.13 C ATOM 446 CG1 VAL A 30 9.829 9.959 1.317 1.00 62.42 C ATOM 447 CG2 VAL A 30 7.328 10.083 1.345 1.00 75.31 C ATOM 0 H VAL A 30 7.432 8.922 4.583 1.00 33.41 H new ATOM 0 HA VAL A 30 8.396 7.691 2.083 1.00 12.02 H new ATOM 0 HB VAL A 30 8.626 10.601 2.952 1.00 71.13 H new ATOM 0 HG11 VAL A 30 9.855 10.943 0.848 1.00 62.42 H new ATOM 0 HG12 VAL A 30 10.713 9.831 1.942 1.00 62.42 H new ATOM 0 HG13 VAL A 30 9.816 9.189 0.545 1.00 62.42 H new ATOM 0 HG21 VAL A 30 7.389 11.065 0.875 1.00 75.31 H new ATOM 0 HG22 VAL A 30 7.247 9.316 0.574 1.00 75.31 H new ATOM 0 HG23 VAL A 30 6.450 10.043 1.990 1.00 75.31 H new ATOM 457 N TRP A 31 10.782 7.599 2.926 1.00 25.20 N ATOM 458 CA TRP A 31 12.077 7.307 3.532 1.00 34.31 C ATOM 459 C TRP A 31 13.192 7.375 2.494 1.00 14.44 C ATOM 460 O TRP A 31 12.969 7.112 1.312 1.00 15.14 O ATOM 461 CB TRP A 31 12.056 5.924 4.186 1.00 2.10 C ATOM 462 CG TRP A 31 12.948 5.821 5.386 1.00 44.31 C ATOM 463 CD1 TRP A 31 12.633 6.153 6.673 1.00 40.24 C ATOM 464 CD2 TRP A 31 14.303 5.357 5.410 1.00 75.04 C ATOM 465 NE1 TRP A 31 13.710 5.923 7.495 1.00 53.12 N ATOM 466 CE2 TRP A 31 14.746 5.434 6.744 1.00 31.34 C ATOM 467 CE3 TRP A 31 15.183 4.882 4.434 1.00 72.12 C ATOM 468 CZ2 TRP A 31 16.030 5.054 7.125 1.00 44.22 C ATOM 469 CZ3 TRP A 31 16.457 4.506 4.813 1.00 64.11 C ATOM 470 CH2 TRP A 31 16.871 4.593 6.149 1.00 64.12 C ATOM 0 H TRP A 31 10.691 7.294 1.957 1.00 25.20 H new ATOM 0 HA TRP A 31 12.271 8.060 4.296 1.00 34.31 H new ATOM 0 HB2 TRP A 31 11.034 5.685 4.480 1.00 2.10 H new ATOM 0 HB3 TRP A 31 12.359 5.178 3.452 1.00 2.10 H new ATOM 0 HD1 TRP A 31 11.678 6.539 6.997 1.00 40.24 H new ATOM 0 HE1 TRP A 31 13.734 6.089 8.501 1.00 53.12 H new ATOM 0 HE3 TRP A 31 14.873 4.810 3.402 1.00 72.12 H new ATOM 0 HZ2 TRP A 31 16.351 5.121 8.154 1.00 44.22 H new ATOM 0 HZ3 TRP A 31 17.146 4.139 4.067 1.00 64.11 H new ATOM 0 HH2 TRP A 31 17.873 4.290 6.413 1.00 64.12 H new ATOM 481 N ILE A 32 14.391 7.730 2.943 1.00 32.04 N ATOM 482 CA ILE A 32 15.540 7.831 2.053 1.00 41.43 C ATOM 483 C ILE A 32 16.793 7.256 2.704 1.00 31.41 C ATOM 484 O ILE A 32 17.013 7.421 3.903 1.00 22.04 O ATOM 485 CB ILE A 32 15.811 9.292 1.647 1.00 1.35 C ATOM 486 CG1 ILE A 32 14.679 9.817 0.763 1.00 53.54 C ATOM 487 CG2 ILE A 32 17.147 9.403 0.929 1.00 43.54 C ATOM 488 CD1 ILE A 32 13.946 11.000 1.357 1.00 22.00 C ATOM 0 H ILE A 32 14.592 7.952 3.918 1.00 32.04 H new ATOM 0 HA ILE A 32 15.299 7.253 1.161 1.00 41.43 H new ATOM 0 HB ILE A 32 15.854 9.902 2.549 1.00 1.35 H new ATOM 0 HG12 ILE A 32 15.089 10.103 -0.206 1.00 53.54 H new ATOM 0 HG13 ILE A 32 13.967 9.012 0.583 1.00 53.54 H new ATOM 0 HG21 ILE A 32 17.324 10.441 0.649 1.00 43.54 H new ATOM 0 HG22 ILE A 32 17.945 9.065 1.590 1.00 43.54 H new ATOM 0 HG23 ILE A 32 17.131 8.783 0.033 1.00 43.54 H new ATOM 0 HD11 ILE A 32 13.157 11.319 0.676 1.00 22.00 H new ATOM 0 HD12 ILE A 32 13.506 10.713 2.312 1.00 22.00 H new ATOM 0 HD13 ILE A 32 14.646 11.821 1.511 1.00 22.00 H new ATOM 500 N ALA A 33 17.612 6.580 1.904 1.00 12.14 N ATOM 501 CA ALA A 33 18.845 5.983 2.402 1.00 51.01 C ATOM 502 C ALA A 33 20.063 6.777 1.944 1.00 43.24 C ATOM 503 O ALA A 33 20.463 6.703 0.781 1.00 12.54 O ATOM 504 CB ALA A 33 18.953 4.536 1.944 1.00 11.10 C ATOM 0 H ALA A 33 17.444 6.432 0.909 1.00 12.14 H new ATOM 0 HA ALA A 33 18.817 6.007 3.491 1.00 51.01 H new ATOM 0 HB1 ALA A 33 19.878 4.103 2.323 1.00 11.10 H new ATOM 0 HB2 ALA A 33 18.104 3.969 2.326 1.00 11.10 H new ATOM 0 HB3 ALA A 33 18.954 4.498 0.855 1.00 11.10 H new ATOM 510 N ARG A 34 20.649 7.537 2.864 1.00 62.35 N ATOM 511 CA ARG A 34 21.821 8.346 2.553 1.00 41.24 C ATOM 512 C ARG A 34 23.067 7.474 2.427 1.00 33.20 C ATOM 513 O ARG A 34 24.034 7.847 1.765 1.00 51.51 O ATOM 514 CB ARG A 34 22.036 9.407 3.633 1.00 14.54 C ATOM 515 CG ARG A 34 22.041 10.830 3.098 1.00 62.24 C ATOM 516 CD ARG A 34 22.070 11.850 4.225 1.00 24.32 C ATOM 517 NE ARG A 34 21.941 13.217 3.730 1.00 53.43 N ATOM 518 CZ ARG A 34 21.611 14.249 4.498 1.00 1.44 C ATOM 519 NH1 ARG A 34 21.380 14.070 5.791 1.00 34.24 N ATOM 520 NH2 ARG A 34 21.513 15.464 3.974 1.00 41.31 N ATOM 0 H ARG A 34 20.331 7.609 3.830 1.00 62.35 H new ATOM 0 HA ARG A 34 21.646 8.840 1.597 1.00 41.24 H new ATOM 0 HB2 ARG A 34 21.251 9.313 4.384 1.00 14.54 H new ATOM 0 HB3 ARG A 34 22.983 9.214 4.136 1.00 14.54 H new ATOM 0 HG2 ARG A 34 22.908 10.974 2.453 1.00 62.24 H new ATOM 0 HG3 ARG A 34 21.156 10.991 2.483 1.00 62.24 H new ATOM 0 HD2 ARG A 34 21.261 11.640 4.925 1.00 24.32 H new ATOM 0 HD3 ARG A 34 23.004 11.752 4.779 1.00 24.32 H new ATOM 0 HE ARG A 34 22.114 13.389 2.740 1.00 53.43 H new ATOM 0 HH11 ARG A 34 21.456 13.138 6.198 1.00 34.24 H new ATOM 0 HH12 ARG A 34 21.127 14.864 6.379 1.00 34.24 H new ATOM 0 HH21 ARG A 34 21.691 15.607 2.980 1.00 41.31 H new ATOM 0 HH22 ARG A 34 21.259 16.255 4.565 1.00 41.31 H new ATOM 534 N ASN A 35 23.035 6.310 3.068 1.00 31.01 N ATOM 535 CA ASN A 35 24.162 5.385 3.029 1.00 34.20 C ATOM 536 C ASN A 35 24.633 5.161 1.595 1.00 14.42 C ATOM 537 O ASN A 35 25.774 5.453 1.238 1.00 41.12 O ATOM 538 CB ASN A 35 23.773 4.048 3.664 1.00 1.22 C ATOM 539 CG ASN A 35 24.465 3.817 4.994 1.00 62.14 C ATOM 540 OD1 ASN A 35 24.211 4.523 5.969 1.00 2.14 O ATOM 541 ND2 ASN A 35 25.346 2.824 5.037 1.00 33.31 N ATOM 0 H ASN A 35 22.241 5.985 3.620 1.00 31.01 H new ATOM 0 HA ASN A 35 24.981 5.826 3.597 1.00 34.20 H new ATOM 0 HB2 ASN A 35 22.693 4.018 3.809 1.00 1.22 H new ATOM 0 HB3 ASN A 35 24.025 3.237 2.981 1.00 1.22 H new ATOM 0 HD21 ASN A 35 25.844 2.621 5.904 1.00 33.31 H new ATOM 0 HD22 ASN A 35 25.525 2.264 4.203 1.00 33.31 H new ATOM 548 N PRO A 36 23.733 4.632 0.753 1.00 62.13 N ATOM 549 CA PRO A 36 24.033 4.359 -0.656 1.00 21.40 C ATOM 550 C PRO A 36 24.192 5.636 -1.473 1.00 41.12 C ATOM 551 O PRO A 36 23.873 6.735 -1.020 1.00 1.51 O ATOM 552 CB PRO A 36 22.812 3.568 -1.132 1.00 13.03 C ATOM 553 CG PRO A 36 21.710 3.989 -0.221 1.00 61.43 C ATOM 554 CD PRO A 36 22.354 4.260 1.110 1.00 20.22 C ATOM 0 HA PRO A 36 24.976 3.826 -0.776 1.00 21.40 H new ATOM 0 HB2 PRO A 36 22.575 3.794 -2.172 1.00 13.03 H new ATOM 0 HB3 PRO A 36 22.988 2.494 -1.071 1.00 13.03 H new ATOM 0 HG2 PRO A 36 21.209 4.879 -0.600 1.00 61.43 H new ATOM 0 HG3 PRO A 36 20.954 3.209 -0.137 1.00 61.43 H new ATOM 0 HD2 PRO A 36 21.847 5.063 1.645 1.00 20.22 H new ATOM 0 HD3 PRO A 36 22.329 3.381 1.755 1.00 20.22 H new ATOM 562 N PRO A 37 24.697 5.491 -2.708 1.00 15.05 N ATOM 563 CA PRO A 37 24.908 6.623 -3.614 1.00 42.24 C ATOM 564 C PRO A 37 23.596 7.218 -4.114 1.00 44.54 C ATOM 565 O PRO A 37 23.564 8.342 -4.613 1.00 52.54 O ATOM 566 CB PRO A 37 25.692 6.006 -4.775 1.00 42.12 C ATOM 567 CG PRO A 37 25.322 4.563 -4.758 1.00 11.22 C ATOM 568 CD PRO A 37 25.099 4.210 -3.313 1.00 54.42 C ATOM 0 HA PRO A 37 25.425 7.448 -3.123 1.00 42.24 H new ATOM 0 HB2 PRO A 37 25.426 6.472 -5.724 1.00 42.12 H new ATOM 0 HB3 PRO A 37 26.766 6.141 -4.644 1.00 42.12 H new ATOM 0 HG2 PRO A 37 24.422 4.384 -5.347 1.00 11.22 H new ATOM 0 HG3 PRO A 37 26.114 3.952 -5.191 1.00 11.22 H new ATOM 0 HD2 PRO A 37 24.325 3.451 -3.199 1.00 54.42 H new ATOM 0 HD3 PRO A 37 26.004 3.814 -2.852 1.00 54.42 H new ATOM 576 N GLY A 38 22.515 6.457 -3.977 1.00 23.34 N ATOM 577 CA GLY A 38 21.215 6.927 -4.419 1.00 24.51 C ATOM 578 C GLY A 38 20.147 5.855 -4.321 1.00 5.34 C ATOM 579 O GLY A 38 19.800 5.222 -5.317 1.00 73.24 O ATOM 0 H GLY A 38 22.516 5.523 -3.568 1.00 23.34 H new ATOM 0 HA2 GLY A 38 20.919 7.787 -3.818 1.00 24.51 H new ATOM 0 HA3 GLY A 38 21.288 7.270 -5.451 1.00 24.51 H new ATOM 583 N PHE A 39 19.626 5.650 -3.115 1.00 43.55 N ATOM 584 CA PHE A 39 18.593 4.646 -2.890 1.00 3.21 C ATOM 585 C PHE A 39 17.623 5.099 -1.803 1.00 31.22 C ATOM 586 O PHE A 39 18.023 5.362 -0.669 1.00 72.31 O ATOM 587 CB PHE A 39 19.228 3.310 -2.499 1.00 0.04 C ATOM 588 CG PHE A 39 19.107 2.255 -3.561 1.00 33.13 C ATOM 589 CD1 PHE A 39 19.879 2.317 -4.709 1.00 51.44 C ATOM 590 CD2 PHE A 39 18.220 1.201 -3.411 1.00 31.14 C ATOM 591 CE1 PHE A 39 19.770 1.348 -5.689 1.00 20.14 C ATOM 592 CE2 PHE A 39 18.107 0.228 -4.386 1.00 40.41 C ATOM 593 CZ PHE A 39 18.882 0.303 -5.527 1.00 20.40 C ATOM 0 H PHE A 39 19.902 6.166 -2.279 1.00 43.55 H new ATOM 0 HA PHE A 39 18.036 4.518 -3.818 1.00 3.21 H new ATOM 0 HB2 PHE A 39 20.283 3.470 -2.275 1.00 0.04 H new ATOM 0 HB3 PHE A 39 18.759 2.948 -1.584 1.00 0.04 H new ATOM 0 HD1 PHE A 39 20.575 3.132 -4.840 1.00 51.44 H new ATOM 0 HD2 PHE A 39 17.610 1.139 -2.522 1.00 31.14 H new ATOM 0 HE1 PHE A 39 20.378 1.408 -6.579 1.00 20.14 H new ATOM 0 HE2 PHE A 39 17.414 -0.590 -4.256 1.00 40.41 H new ATOM 0 HZ PHE A 39 18.794 -0.455 -6.291 1.00 20.40 H new ATOM 603 N ALA A 40 16.345 5.188 -2.158 1.00 64.32 N ATOM 604 CA ALA A 40 15.317 5.607 -1.214 1.00 22.12 C ATOM 605 C ALA A 40 14.122 4.660 -1.247 1.00 43.01 C ATOM 606 O ALA A 40 13.931 3.920 -2.212 1.00 71.40 O ATOM 607 CB ALA A 40 14.873 7.031 -1.515 1.00 22.24 C ATOM 0 H ALA A 40 15.997 4.975 -3.093 1.00 64.32 H new ATOM 0 HA ALA A 40 15.744 5.575 -0.212 1.00 22.12 H new ATOM 0 HB1 ALA A 40 14.105 7.331 -0.802 1.00 22.24 H new ATOM 0 HB2 ALA A 40 15.727 7.703 -1.433 1.00 22.24 H new ATOM 0 HB3 ALA A 40 14.469 7.080 -2.526 1.00 22.24 H new ATOM 613 N PHE A 41 13.321 4.688 -0.187 1.00 43.12 N ATOM 614 CA PHE A 41 12.145 3.831 -0.095 1.00 24.44 C ATOM 615 C PHE A 41 10.911 4.640 0.290 1.00 13.44 C ATOM 616 O PHE A 41 10.999 5.606 1.048 1.00 4.44 O ATOM 617 CB PHE A 41 12.379 2.718 0.929 1.00 31.22 C ATOM 618 CG PHE A 41 12.456 1.348 0.318 1.00 31.24 C ATOM 619 CD1 PHE A 41 13.651 0.869 -0.194 1.00 1.40 C ATOM 620 CD2 PHE A 41 11.333 0.539 0.256 1.00 31.51 C ATOM 621 CE1 PHE A 41 13.726 -0.391 -0.756 1.00 75.05 C ATOM 622 CE2 PHE A 41 11.401 -0.723 -0.305 1.00 4.22 C ATOM 623 CZ PHE A 41 12.599 -1.188 -0.813 1.00 12.42 C ATOM 0 H PHE A 41 13.465 5.295 0.620 1.00 43.12 H new ATOM 0 HA PHE A 41 11.974 3.385 -1.075 1.00 24.44 H new ATOM 0 HB2 PHE A 41 13.305 2.920 1.468 1.00 31.22 H new ATOM 0 HB3 PHE A 41 11.573 2.735 1.663 1.00 31.22 H new ATOM 0 HD1 PHE A 41 14.535 1.488 -0.153 1.00 1.40 H new ATOM 0 HD2 PHE A 41 10.394 0.898 0.650 1.00 31.51 H new ATOM 0 HE1 PHE A 41 14.664 -0.752 -1.150 1.00 75.05 H new ATOM 0 HE2 PHE A 41 10.519 -1.345 -0.346 1.00 4.22 H new ATOM 0 HZ PHE A 41 12.654 -2.172 -1.254 1.00 12.42 H new ATOM 633 N VAL A 42 9.759 4.239 -0.238 1.00 51.54 N ATOM 634 CA VAL A 42 8.505 4.926 0.049 1.00 4.42 C ATOM 635 C VAL A 42 7.371 3.931 0.268 1.00 41.53 C ATOM 636 O VAL A 42 7.352 2.856 -0.331 1.00 1.44 O ATOM 637 CB VAL A 42 8.118 5.888 -1.090 1.00 60.20 C ATOM 638 CG1 VAL A 42 6.790 6.565 -0.789 1.00 10.43 C ATOM 639 CG2 VAL A 42 9.214 6.919 -1.312 1.00 50.20 C ATOM 0 H VAL A 42 9.668 3.441 -0.867 1.00 51.54 H new ATOM 0 HA VAL A 42 8.661 5.501 0.962 1.00 4.42 H new ATOM 0 HB VAL A 42 8.004 5.310 -2.007 1.00 60.20 H new ATOM 0 HG11 VAL A 42 6.533 7.241 -1.605 1.00 10.43 H new ATOM 0 HG12 VAL A 42 6.012 5.809 -0.685 1.00 10.43 H new ATOM 0 HG13 VAL A 42 6.872 7.131 0.139 1.00 10.43 H new ATOM 0 HG21 VAL A 42 8.924 7.590 -2.120 1.00 50.20 H new ATOM 0 HG22 VAL A 42 9.363 7.494 -0.398 1.00 50.20 H new ATOM 0 HG23 VAL A 42 10.142 6.412 -1.577 1.00 50.20 H new ATOM 649 N GLU A 43 6.427 4.298 1.129 1.00 50.44 N ATOM 650 CA GLU A 43 5.289 3.437 1.426 1.00 33.10 C ATOM 651 C GLU A 43 3.980 4.102 1.010 1.00 32.20 C ATOM 652 O GLU A 43 3.645 5.189 1.482 1.00 30.52 O ATOM 653 CB GLU A 43 5.251 3.101 2.918 1.00 1.14 C ATOM 654 CG GLU A 43 4.450 1.851 3.241 1.00 70.11 C ATOM 655 CD GLU A 43 4.010 1.798 4.691 1.00 21.01 C ATOM 656 OE1 GLU A 43 4.557 2.570 5.506 1.00 14.01 O ATOM 657 OE2 GLU A 43 3.118 0.984 5.010 1.00 24.15 O ATOM 0 H GLU A 43 6.428 5.185 1.633 1.00 50.44 H new ATOM 0 HA GLU A 43 5.405 2.515 0.856 1.00 33.10 H new ATOM 0 HB2 GLU A 43 6.271 2.971 3.279 1.00 1.14 H new ATOM 0 HB3 GLU A 43 4.826 3.945 3.461 1.00 1.14 H new ATOM 0 HG2 GLU A 43 3.571 1.811 2.597 1.00 70.11 H new ATOM 0 HG3 GLU A 43 5.051 0.970 3.015 1.00 70.11 H new ATOM 664 N PHE A 44 3.244 3.442 0.122 1.00 35.54 N ATOM 665 CA PHE A 44 1.972 3.968 -0.359 1.00 51.23 C ATOM 666 C PHE A 44 0.800 3.263 0.317 1.00 11.34 C ATOM 667 O PHE A 44 0.657 2.045 0.222 1.00 73.03 O ATOM 668 CB PHE A 44 1.871 3.807 -1.878 1.00 20.25 C ATOM 669 CG PHE A 44 1.788 5.113 -2.615 1.00 34.40 C ATOM 670 CD1 PHE A 44 0.832 6.056 -2.274 1.00 12.10 C ATOM 671 CD2 PHE A 44 2.665 5.397 -3.649 1.00 23.13 C ATOM 672 CE1 PHE A 44 0.753 7.258 -2.952 1.00 15.04 C ATOM 673 CE2 PHE A 44 2.591 6.598 -4.330 1.00 20.54 C ATOM 674 CZ PHE A 44 1.634 7.530 -3.980 1.00 30.42 C ATOM 0 H PHE A 44 3.507 2.542 -0.279 1.00 35.54 H new ATOM 0 HA PHE A 44 1.928 5.028 -0.109 1.00 51.23 H new ATOM 0 HB2 PHE A 44 2.739 3.252 -2.235 1.00 20.25 H new ATOM 0 HB3 PHE A 44 0.991 3.209 -2.114 1.00 20.25 H new ATOM 0 HD1 PHE A 44 0.141 5.850 -1.470 1.00 12.10 H new ATOM 0 HD2 PHE A 44 3.415 4.672 -3.927 1.00 23.13 H new ATOM 0 HE1 PHE A 44 0.002 7.984 -2.678 1.00 15.04 H new ATOM 0 HE2 PHE A 44 3.281 6.807 -5.134 1.00 20.54 H new ATOM 0 HZ PHE A 44 1.575 8.470 -4.509 1.00 30.42 H new ATOM 684 N GLU A 45 -0.035 4.040 1.001 1.00 22.45 N ATOM 685 CA GLU A 45 -1.193 3.489 1.695 1.00 13.44 C ATOM 686 C GLU A 45 -2.013 2.600 0.765 1.00 23.41 C ATOM 687 O GLU A 45 -2.599 1.606 1.196 1.00 41.31 O ATOM 688 CB GLU A 45 -2.070 4.617 2.244 1.00 52.14 C ATOM 689 CG GLU A 45 -2.794 5.405 1.165 1.00 71.34 C ATOM 690 CD GLU A 45 -3.498 6.632 1.711 1.00 64.03 C ATOM 691 OE1 GLU A 45 -2.931 7.290 2.609 1.00 64.45 O ATOM 692 OE2 GLU A 45 -4.614 6.935 1.241 1.00 33.42 O ATOM 0 H GLU A 45 0.069 5.051 1.089 1.00 22.45 H new ATOM 0 HA GLU A 45 -0.832 2.881 2.525 1.00 13.44 H new ATOM 0 HB2 GLU A 45 -2.805 4.194 2.928 1.00 52.14 H new ATOM 0 HB3 GLU A 45 -1.449 5.299 2.825 1.00 52.14 H new ATOM 0 HG2 GLU A 45 -2.078 5.711 0.402 1.00 71.34 H new ATOM 0 HG3 GLU A 45 -3.524 4.759 0.677 1.00 71.34 H new ATOM 699 N ASP A 46 -2.049 2.964 -0.512 1.00 22.31 N ATOM 700 CA ASP A 46 -2.795 2.199 -1.504 1.00 55.12 C ATOM 701 C ASP A 46 -1.900 1.810 -2.677 1.00 14.23 C ATOM 702 O ASP A 46 -0.969 2.527 -3.043 1.00 54.53 O ATOM 703 CB ASP A 46 -3.993 3.007 -2.007 1.00 1.34 C ATOM 704 CG ASP A 46 -5.224 2.815 -1.143 1.00 53.24 C ATOM 705 OD1 ASP A 46 -5.379 1.719 -0.566 1.00 31.34 O ATOM 706 OD2 ASP A 46 -6.033 3.762 -1.045 1.00 23.41 O ATOM 0 H ASP A 46 -1.570 3.784 -0.885 1.00 22.31 H new ATOM 0 HA ASP A 46 -3.155 1.287 -1.027 1.00 55.12 H new ATOM 0 HB2 ASP A 46 -3.730 4.065 -2.030 1.00 1.34 H new ATOM 0 HB3 ASP A 46 -4.222 2.713 -3.031 1.00 1.34 H new ATOM 711 N PRO A 47 -2.186 0.647 -3.279 1.00 75.44 N ATOM 712 CA PRO A 47 -1.419 0.136 -4.419 1.00 23.42 C ATOM 713 C PRO A 47 -1.641 0.958 -5.683 1.00 75.15 C ATOM 714 O PRO A 47 -0.694 1.278 -6.402 1.00 33.11 O ATOM 715 CB PRO A 47 -1.959 -1.285 -4.602 1.00 53.34 C ATOM 716 CG PRO A 47 -3.335 -1.243 -4.031 1.00 64.43 C ATOM 717 CD PRO A 47 -3.282 -0.260 -2.895 1.00 42.43 C ATOM 0 HA PRO A 47 -0.345 0.178 -4.239 1.00 23.42 H new ATOM 0 HB2 PRO A 47 -1.975 -1.570 -5.654 1.00 53.34 H new ATOM 0 HB3 PRO A 47 -1.337 -2.015 -4.084 1.00 53.34 H new ATOM 0 HG2 PRO A 47 -4.060 -0.932 -4.783 1.00 64.43 H new ATOM 0 HG3 PRO A 47 -3.642 -2.228 -3.680 1.00 64.43 H new ATOM 0 HD2 PRO A 47 -4.225 0.275 -2.782 1.00 42.43 H new ATOM 0 HD3 PRO A 47 -3.080 -0.754 -1.945 1.00 42.43 H new ATOM 725 N ARG A 48 -2.899 1.297 -5.949 1.00 44.24 N ATOM 726 CA ARG A 48 -3.245 2.082 -7.128 1.00 71.02 C ATOM 727 C ARG A 48 -2.363 3.322 -7.234 1.00 44.24 C ATOM 728 O ARG A 48 -1.820 3.621 -8.298 1.00 62.13 O ATOM 729 CB ARG A 48 -4.718 2.493 -7.078 1.00 43.54 C ATOM 730 CG ARG A 48 -5.189 3.222 -8.326 1.00 41.41 C ATOM 731 CD ARG A 48 -6.578 3.812 -8.136 1.00 4.02 C ATOM 732 NE ARG A 48 -7.525 2.827 -7.622 1.00 21.45 N ATOM 733 CZ ARG A 48 -8.803 3.093 -7.378 1.00 11.44 C ATOM 734 NH1 ARG A 48 -9.284 4.309 -7.601 1.00 33.45 N ATOM 735 NH2 ARG A 48 -9.603 2.143 -6.910 1.00 40.53 N ATOM 0 H ARG A 48 -3.694 1.040 -5.364 1.00 44.24 H new ATOM 0 HA ARG A 48 -3.077 1.462 -8.009 1.00 71.02 H new ATOM 0 HB2 ARG A 48 -5.330 1.603 -6.935 1.00 43.54 H new ATOM 0 HB3 ARG A 48 -4.879 3.133 -6.211 1.00 43.54 H new ATOM 0 HG2 ARG A 48 -4.485 4.017 -8.572 1.00 41.41 H new ATOM 0 HG3 ARG A 48 -5.198 2.532 -9.170 1.00 41.41 H new ATOM 0 HD2 ARG A 48 -6.523 4.655 -7.448 1.00 4.02 H new ATOM 0 HD3 ARG A 48 -6.940 4.201 -9.088 1.00 4.02 H new ATOM 0 HE ARG A 48 -7.186 1.882 -7.440 1.00 21.45 H new ATOM 0 HH11 ARG A 48 -8.672 5.042 -7.960 1.00 33.45 H new ATOM 0 HH12 ARG A 48 -10.266 4.511 -7.413 1.00 33.45 H new ATOM 0 HH21 ARG A 48 -9.236 1.207 -6.737 1.00 40.53 H new ATOM 0 HH22 ARG A 48 -10.584 2.349 -6.723 1.00 40.53 H new ATOM 749 N ASP A 49 -2.225 4.040 -6.125 1.00 43.43 N ATOM 750 CA ASP A 49 -1.408 5.248 -6.093 1.00 41.01 C ATOM 751 C ASP A 49 0.051 4.926 -6.400 1.00 22.40 C ATOM 752 O ASP A 49 0.750 5.713 -7.038 1.00 20.52 O ATOM 753 CB ASP A 49 -1.517 5.927 -4.727 1.00 23.43 C ATOM 754 CG ASP A 49 -2.954 6.082 -4.270 1.00 70.02 C ATOM 755 OD1 ASP A 49 -3.851 6.124 -5.138 1.00 65.23 O ATOM 756 OD2 ASP A 49 -3.182 6.163 -3.045 1.00 34.31 O ATOM 0 H ASP A 49 -2.668 3.807 -5.236 1.00 43.43 H new ATOM 0 HA ASP A 49 -1.780 5.929 -6.859 1.00 41.01 H new ATOM 0 HB2 ASP A 49 -0.965 5.344 -3.990 1.00 23.43 H new ATOM 0 HB3 ASP A 49 -1.046 6.909 -4.774 1.00 23.43 H new ATOM 761 N ALA A 50 0.504 3.764 -5.941 1.00 24.24 N ATOM 762 CA ALA A 50 1.880 3.337 -6.167 1.00 13.12 C ATOM 763 C ALA A 50 2.108 2.974 -7.630 1.00 61.21 C ATOM 764 O ALA A 50 3.159 3.274 -8.196 1.00 73.42 O ATOM 765 CB ALA A 50 2.221 2.157 -5.269 1.00 13.24 C ATOM 0 H ALA A 50 -0.062 3.101 -5.410 1.00 24.24 H new ATOM 0 HA ALA A 50 2.538 4.170 -5.919 1.00 13.12 H new ATOM 0 HB1 ALA A 50 3.251 1.849 -5.448 1.00 13.24 H new ATOM 0 HB2 ALA A 50 2.106 2.449 -4.225 1.00 13.24 H new ATOM 0 HB3 ALA A 50 1.550 1.326 -5.489 1.00 13.24 H new ATOM 771 N GLU A 51 1.118 2.326 -8.236 1.00 12.11 N ATOM 772 CA GLU A 51 1.213 1.921 -9.633 1.00 62.14 C ATOM 773 C GLU A 51 1.251 3.139 -10.552 1.00 11.24 C ATOM 774 O GLU A 51 2.076 3.219 -11.462 1.00 24.35 O ATOM 775 CB GLU A 51 0.033 1.022 -10.009 1.00 1.14 C ATOM 776 CG GLU A 51 0.429 -0.187 -10.838 1.00 60.55 C ATOM 777 CD GLU A 51 0.131 -1.499 -10.138 1.00 2.35 C ATOM 778 OE1 GLU A 51 0.622 -1.690 -9.005 1.00 61.22 O ATOM 779 OE2 GLU A 51 -0.592 -2.333 -10.721 1.00 20.03 O ATOM 0 H GLU A 51 0.241 2.071 -7.781 1.00 12.11 H new ATOM 0 HA GLU A 51 2.141 1.363 -9.759 1.00 62.14 H new ATOM 0 HB2 GLU A 51 -0.458 0.682 -9.098 1.00 1.14 H new ATOM 0 HB3 GLU A 51 -0.698 1.610 -10.565 1.00 1.14 H new ATOM 0 HG2 GLU A 51 -0.101 -0.159 -11.790 1.00 60.55 H new ATOM 0 HG3 GLU A 51 1.494 -0.134 -11.064 1.00 60.55 H new ATOM 786 N ASP A 52 0.351 4.085 -10.306 1.00 42.35 N ATOM 787 CA ASP A 52 0.281 5.300 -11.110 1.00 51.21 C ATOM 788 C ASP A 52 1.486 6.197 -10.846 1.00 23.01 C ATOM 789 O ASP A 52 1.984 6.867 -11.750 1.00 71.03 O ATOM 790 CB ASP A 52 -1.012 6.061 -10.811 1.00 2.02 C ATOM 791 CG ASP A 52 -2.164 5.612 -11.687 1.00 72.43 C ATOM 792 OD1 ASP A 52 -2.777 4.569 -11.374 1.00 65.25 O ATOM 793 OD2 ASP A 52 -2.454 6.303 -12.686 1.00 14.03 O ATOM 0 H ASP A 52 -0.340 4.034 -9.557 1.00 42.35 H new ATOM 0 HA ASP A 52 0.289 5.011 -12.161 1.00 51.21 H new ATOM 0 HB2 ASP A 52 -1.279 5.920 -9.764 1.00 2.02 H new ATOM 0 HB3 ASP A 52 -0.844 7.128 -10.956 1.00 2.02 H new ATOM 798 N ALA A 53 1.950 6.205 -9.600 1.00 70.24 N ATOM 799 CA ALA A 53 3.097 7.018 -9.218 1.00 2.35 C ATOM 800 C ALA A 53 4.390 6.448 -9.790 1.00 63.03 C ATOM 801 O ALA A 53 5.152 7.153 -10.452 1.00 5.35 O ATOM 802 CB ALA A 53 3.189 7.121 -7.702 1.00 41.23 C ATOM 0 H ALA A 53 1.549 5.657 -8.839 1.00 70.24 H new ATOM 0 HA ALA A 53 2.957 8.016 -9.632 1.00 2.35 H new ATOM 0 HB1 ALA A 53 4.050 7.731 -7.430 1.00 41.23 H new ATOM 0 HB2 ALA A 53 2.281 7.581 -7.313 1.00 41.23 H new ATOM 0 HB3 ALA A 53 3.302 6.124 -7.276 1.00 41.23 H new ATOM 808 N VAL A 54 4.632 5.167 -9.532 1.00 23.24 N ATOM 809 CA VAL A 54 5.833 4.501 -10.022 1.00 4.41 C ATOM 810 C VAL A 54 5.887 4.517 -11.545 1.00 45.54 C ATOM 811 O VAL A 54 6.934 4.782 -12.137 1.00 25.52 O ATOM 812 CB VAL A 54 5.907 3.043 -9.532 1.00 10.12 C ATOM 813 CG1 VAL A 54 7.011 2.290 -10.259 1.00 1.44 C ATOM 814 CG2 VAL A 54 6.121 2.998 -8.026 1.00 60.55 C ATOM 0 H VAL A 54 4.012 4.569 -8.986 1.00 23.24 H new ATOM 0 HA VAL A 54 6.685 5.053 -9.625 1.00 4.41 H new ATOM 0 HB VAL A 54 4.959 2.554 -9.756 1.00 10.12 H new ATOM 0 HG11 VAL A 54 7.048 1.262 -9.899 1.00 1.44 H new ATOM 0 HG12 VAL A 54 6.809 2.293 -11.330 1.00 1.44 H new ATOM 0 HG13 VAL A 54 7.968 2.775 -10.069 1.00 1.44 H new ATOM 0 HG21 VAL A 54 6.171 1.960 -7.696 1.00 60.55 H new ATOM 0 HG22 VAL A 54 7.054 3.503 -7.776 1.00 60.55 H new ATOM 0 HG23 VAL A 54 5.292 3.498 -7.526 1.00 60.55 H new ATOM 824 N ARG A 55 4.752 4.234 -12.175 1.00 62.33 N ATOM 825 CA ARG A 55 4.670 4.215 -13.631 1.00 21.32 C ATOM 826 C ARG A 55 4.849 5.618 -14.204 1.00 24.53 C ATOM 827 O ARG A 55 5.453 5.795 -15.261 1.00 22.12 O ATOM 828 CB ARG A 55 3.327 3.637 -14.080 1.00 34.24 C ATOM 829 CG ARG A 55 2.178 4.628 -13.992 1.00 35.22 C ATOM 830 CD ARG A 55 0.869 4.006 -14.455 1.00 2.15 C ATOM 831 NE ARG A 55 0.920 3.606 -15.858 1.00 73.21 N ATOM 832 CZ ARG A 55 0.940 4.468 -16.868 1.00 53.41 C ATOM 833 NH1 ARG A 55 0.914 5.773 -16.631 1.00 61.40 N ATOM 834 NH2 ARG A 55 0.986 4.027 -18.119 1.00 20.35 N ATOM 0 H ARG A 55 3.876 4.015 -11.700 1.00 62.33 H new ATOM 0 HA ARG A 55 5.474 3.582 -14.007 1.00 21.32 H new ATOM 0 HB2 ARG A 55 3.417 3.288 -15.109 1.00 34.24 H new ATOM 0 HB3 ARG A 55 3.093 2.766 -13.467 1.00 34.24 H new ATOM 0 HG2 ARG A 55 2.074 4.975 -12.964 1.00 35.22 H new ATOM 0 HG3 ARG A 55 2.403 5.502 -14.603 1.00 35.22 H new ATOM 0 HD2 ARG A 55 0.643 3.136 -13.838 1.00 2.15 H new ATOM 0 HD3 ARG A 55 0.058 4.719 -14.311 1.00 2.15 H new ATOM 0 HE ARG A 55 0.941 2.609 -16.074 1.00 73.21 H new ATOM 0 HH11 ARG A 55 0.879 6.116 -15.671 1.00 61.40 H new ATOM 0 HH12 ARG A 55 0.929 6.433 -17.409 1.00 61.40 H new ATOM 0 HH21 ARG A 55 1.006 3.024 -18.306 1.00 20.35 H new ATOM 0 HH22 ARG A 55 1.001 4.691 -18.893 1.00 20.35 H new ATOM 848 N GLY A 56 4.320 6.612 -13.498 1.00 34.02 N ATOM 849 CA GLY A 56 4.431 7.986 -13.952 1.00 22.21 C ATOM 850 C GLY A 56 5.828 8.546 -13.768 1.00 33.34 C ATOM 851 O GLY A 56 6.361 9.210 -14.657 1.00 52.32 O ATOM 0 H GLY A 56 3.816 6.491 -12.619 1.00 34.02 H new ATOM 0 HA2 GLY A 56 4.157 8.041 -15.006 1.00 22.21 H new ATOM 0 HA3 GLY A 56 3.720 8.605 -13.405 1.00 22.21 H new ATOM 855 N LEU A 57 6.422 8.279 -12.610 1.00 1.12 N ATOM 856 CA LEU A 57 7.765 8.763 -12.310 1.00 65.43 C ATOM 857 C LEU A 57 8.811 8.002 -13.120 1.00 11.03 C ATOM 858 O LEU A 57 9.709 8.601 -13.712 1.00 55.30 O ATOM 859 CB LEU A 57 8.058 8.620 -10.816 1.00 5.43 C ATOM 860 CG LEU A 57 7.104 9.353 -9.872 1.00 31.20 C ATOM 861 CD1 LEU A 57 7.189 8.771 -8.469 1.00 60.15 C ATOM 862 CD2 LEU A 57 7.412 10.843 -9.853 1.00 31.13 C ATOM 0 H LEU A 57 5.995 7.730 -11.864 1.00 1.12 H new ATOM 0 HA LEU A 57 7.815 9.817 -12.584 1.00 65.43 H new ATOM 0 HB2 LEU A 57 8.044 7.560 -10.563 1.00 5.43 H new ATOM 0 HB3 LEU A 57 9.070 8.979 -10.629 1.00 5.43 H new ATOM 0 HG LEU A 57 6.086 9.218 -10.238 1.00 31.20 H new ATOM 0 HD11 LEU A 57 6.503 9.305 -7.811 1.00 60.15 H new ATOM 0 HD12 LEU A 57 6.918 7.716 -8.496 1.00 60.15 H new ATOM 0 HD13 LEU A 57 8.207 8.875 -8.093 1.00 60.15 H new ATOM 0 HD21 LEU A 57 6.723 11.348 -9.176 1.00 31.13 H new ATOM 0 HD22 LEU A 57 8.436 10.999 -9.512 1.00 31.13 H new ATOM 0 HD23 LEU A 57 7.298 11.251 -10.857 1.00 31.13 H new ATOM 874 N ASP A 58 8.687 6.680 -13.142 1.00 60.40 N ATOM 875 CA ASP A 58 9.619 5.837 -13.882 1.00 23.33 C ATOM 876 C ASP A 58 9.378 5.948 -15.384 1.00 32.41 C ATOM 877 O ASP A 58 10.305 5.826 -16.183 1.00 24.33 O ATOM 878 CB ASP A 58 9.485 4.379 -13.437 1.00 42.33 C ATOM 879 CG ASP A 58 10.786 3.612 -13.570 1.00 32.32 C ATOM 880 OD1 ASP A 58 11.760 4.182 -14.103 1.00 44.43 O ATOM 881 OD2 ASP A 58 10.829 2.440 -13.139 1.00 45.52 O ATOM 0 H ASP A 58 7.950 6.169 -12.656 1.00 60.40 H new ATOM 0 HA ASP A 58 10.631 6.182 -13.669 1.00 23.33 H new ATOM 0 HB2 ASP A 58 9.152 4.348 -12.399 1.00 42.33 H new ATOM 0 HB3 ASP A 58 8.715 3.889 -14.033 1.00 42.33 H new ATOM 886 N GLY A 59 8.124 6.179 -15.761 1.00 71.33 N ATOM 887 CA GLY A 59 7.783 6.301 -17.167 1.00 33.25 C ATOM 888 C GLY A 59 7.945 7.717 -17.682 1.00 11.24 C ATOM 889 O GLY A 59 8.025 7.942 -18.889 1.00 64.45 O ATOM 0 H GLY A 59 7.339 6.284 -15.119 1.00 71.33 H new ATOM 0 HA2 GLY A 59 8.415 5.631 -17.750 1.00 33.25 H new ATOM 0 HA3 GLY A 59 6.753 5.979 -17.317 1.00 33.25 H new ATOM 893 N LYS A 60 7.991 8.677 -16.764 1.00 3.01 N ATOM 894 CA LYS A 60 8.144 10.080 -17.131 1.00 23.15 C ATOM 895 C LYS A 60 8.817 10.865 -16.009 1.00 51.10 C ATOM 896 O LYS A 60 8.282 10.972 -14.905 1.00 40.44 O ATOM 897 CB LYS A 60 6.781 10.696 -17.452 1.00 72.01 C ATOM 898 CG LYS A 60 6.844 12.179 -17.774 1.00 0.14 C ATOM 899 CD LYS A 60 7.748 12.454 -18.963 1.00 63.24 C ATOM 900 CE LYS A 60 7.804 13.938 -19.290 1.00 50.22 C ATOM 901 NZ LYS A 60 7.313 14.222 -20.667 1.00 63.23 N ATOM 0 H LYS A 60 7.924 8.509 -15.760 1.00 3.01 H new ATOM 0 HA LYS A 60 8.777 10.131 -18.017 1.00 23.15 H new ATOM 0 HB2 LYS A 60 6.343 10.167 -18.299 1.00 72.01 H new ATOM 0 HB3 LYS A 60 6.115 10.545 -16.603 1.00 72.01 H new ATOM 0 HG2 LYS A 60 5.841 12.549 -17.985 1.00 0.14 H new ATOM 0 HG3 LYS A 60 7.209 12.726 -16.904 1.00 0.14 H new ATOM 0 HD2 LYS A 60 8.753 12.089 -18.749 1.00 63.24 H new ATOM 0 HD3 LYS A 60 7.387 11.903 -19.831 1.00 63.24 H new ATOM 0 HE2 LYS A 60 7.203 14.492 -18.569 1.00 50.22 H new ATOM 0 HE3 LYS A 60 8.830 14.293 -19.190 1.00 50.22 H new ATOM 0 HZ1 LYS A 60 7.367 15.244 -20.851 1.00 63.23 H new ATOM 0 HZ2 LYS A 60 7.902 13.714 -21.357 1.00 63.23 H new ATOM 0 HZ3 LYS A 60 6.326 13.906 -20.756 1.00 63.23 H new ATOM 915 N VAL A 61 9.992 11.414 -16.299 1.00 63.14 N ATOM 916 CA VAL A 61 10.737 12.192 -15.316 1.00 74.31 C ATOM 917 C VAL A 61 9.840 13.219 -14.635 1.00 53.31 C ATOM 918 O VAL A 61 8.881 13.713 -15.230 1.00 61.52 O ATOM 919 CB VAL A 61 11.931 12.918 -15.962 1.00 65.45 C ATOM 920 CG1 VAL A 61 12.769 11.945 -16.778 1.00 44.15 C ATOM 921 CG2 VAL A 61 11.449 14.073 -16.826 1.00 74.01 C ATOM 0 H VAL A 61 10.449 11.334 -17.207 1.00 63.14 H new ATOM 0 HA VAL A 61 11.110 11.488 -14.572 1.00 74.31 H new ATOM 0 HB VAL A 61 12.558 13.325 -15.169 1.00 65.45 H new ATOM 0 HG11 VAL A 61 13.608 12.476 -17.227 1.00 44.15 H new ATOM 0 HG12 VAL A 61 13.145 11.155 -16.128 1.00 44.15 H new ATOM 0 HG13 VAL A 61 12.155 11.506 -17.564 1.00 44.15 H new ATOM 0 HG21 VAL A 61 12.307 14.574 -17.274 1.00 74.01 H new ATOM 0 HG22 VAL A 61 10.799 13.692 -17.613 1.00 74.01 H new ATOM 0 HG23 VAL A 61 10.895 14.782 -16.210 1.00 74.01 H new ATOM 931 N ILE A 62 10.158 13.538 -13.385 1.00 34.10 N ATOM 932 CA ILE A 62 9.381 14.508 -12.623 1.00 43.45 C ATOM 933 C ILE A 62 10.232 15.716 -12.243 1.00 33.54 C ATOM 934 O ILE A 62 11.291 15.573 -11.631 1.00 43.12 O ATOM 935 CB ILE A 62 8.797 13.882 -11.344 1.00 13.23 C ATOM 936 CG1 ILE A 62 8.132 14.957 -10.481 1.00 53.15 C ATOM 937 CG2 ILE A 62 9.886 13.165 -10.560 1.00 12.44 C ATOM 938 CD1 ILE A 62 9.025 15.488 -9.383 1.00 1.45 C ATOM 0 H ILE A 62 10.948 13.139 -12.878 1.00 34.10 H new ATOM 0 HA ILE A 62 8.562 14.831 -13.265 1.00 43.45 H new ATOM 0 HB ILE A 62 8.040 13.151 -11.628 1.00 13.23 H new ATOM 0 HG12 ILE A 62 7.824 15.785 -11.120 1.00 53.15 H new ATOM 0 HG13 ILE A 62 7.227 14.545 -10.035 1.00 53.15 H new ATOM 0 HG21 ILE A 62 9.457 12.728 -9.658 1.00 12.44 H new ATOM 0 HG22 ILE A 62 10.318 12.376 -11.176 1.00 12.44 H new ATOM 0 HG23 ILE A 62 10.664 13.877 -10.283 1.00 12.44 H new ATOM 0 HD11 ILE A 62 8.488 16.246 -8.812 1.00 1.45 H new ATOM 0 HD12 ILE A 62 9.313 14.671 -8.721 1.00 1.45 H new ATOM 0 HD13 ILE A 62 9.919 15.931 -9.823 1.00 1.45 H new ATOM 950 N CYS A 63 9.760 16.903 -12.606 1.00 70.23 N ATOM 951 CA CYS A 63 10.477 18.136 -12.302 1.00 13.22 C ATOM 952 C CYS A 63 11.952 18.013 -12.670 1.00 33.15 C ATOM 953 O CYS A 63 12.826 18.465 -11.932 1.00 10.24 O ATOM 954 CB CYS A 63 10.335 18.480 -10.818 1.00 64.33 C ATOM 955 SG CYS A 63 10.326 20.254 -10.469 1.00 25.31 S ATOM 0 H CYS A 63 8.884 17.038 -13.111 1.00 70.23 H new ATOM 0 HA CYS A 63 10.040 18.938 -12.897 1.00 13.22 H new ATOM 0 HB2 CYS A 63 9.411 18.042 -10.441 1.00 64.33 H new ATOM 0 HB3 CYS A 63 11.155 18.017 -10.269 1.00 64.33 H new ATOM 0 HG CYS A 63 11.447 20.780 -10.865 1.00 25.31 H new ATOM 961 N GLY A 64 12.221 17.395 -13.816 1.00 1.22 N ATOM 962 CA GLY A 64 13.592 17.221 -14.261 1.00 15.53 C ATOM 963 C GLY A 64 14.339 16.184 -13.446 1.00 14.53 C ATOM 964 O GLY A 64 15.546 16.301 -13.238 1.00 22.32 O ATOM 0 H GLY A 64 11.515 17.012 -14.444 1.00 1.22 H new ATOM 0 HA2 GLY A 64 13.595 16.925 -15.310 1.00 15.53 H new ATOM 0 HA3 GLY A 64 14.115 18.175 -14.197 1.00 15.53 H new ATOM 968 N SER A 65 13.619 15.168 -12.981 1.00 52.04 N ATOM 969 CA SER A 65 14.220 14.109 -12.180 1.00 21.24 C ATOM 970 C SER A 65 13.900 12.737 -12.764 1.00 72.53 C ATOM 971 O SER A 65 12.808 12.204 -12.565 1.00 53.31 O ATOM 972 CB SER A 65 13.723 14.189 -10.735 1.00 52.00 C ATOM 973 OG SER A 65 14.394 13.251 -9.912 1.00 32.22 O ATOM 0 H SER A 65 12.619 15.056 -13.145 1.00 52.04 H new ATOM 0 HA SER A 65 15.301 14.247 -12.194 1.00 21.24 H new ATOM 0 HB2 SER A 65 13.881 15.196 -10.348 1.00 52.00 H new ATOM 0 HB3 SER A 65 12.650 14.001 -10.705 1.00 52.00 H new ATOM 0 HG SER A 65 15.342 13.218 -10.160 1.00 32.22 H new ATOM 979 N ARG A 66 14.860 12.169 -13.487 1.00 3.42 N ATOM 980 CA ARG A 66 14.681 10.860 -14.102 1.00 64.21 C ATOM 981 C ARG A 66 15.077 9.747 -13.136 1.00 71.22 C ATOM 982 O ARG A 66 15.828 8.839 -13.492 1.00 43.15 O ATOM 983 CB ARG A 66 15.511 10.757 -15.383 1.00 63.10 C ATOM 984 CG ARG A 66 17.008 10.878 -15.150 1.00 64.31 C ATOM 985 CD ARG A 66 17.758 9.682 -15.716 1.00 45.00 C ATOM 986 NE ARG A 66 18.246 9.933 -17.070 1.00 23.54 N ATOM 987 CZ ARG A 66 19.296 10.700 -17.342 1.00 55.23 C ATOM 988 NH1 ARG A 66 19.964 11.289 -16.360 1.00 33.11 N ATOM 989 NH2 ARG A 66 19.679 10.880 -18.600 1.00 34.01 N ATOM 0 H ARG A 66 15.770 12.596 -13.661 1.00 3.42 H new ATOM 0 HA ARG A 66 13.626 10.744 -14.350 1.00 64.21 H new ATOM 0 HB2 ARG A 66 15.303 9.802 -15.865 1.00 63.10 H new ATOM 0 HB3 ARG A 66 15.195 11.538 -16.074 1.00 63.10 H new ATOM 0 HG2 ARG A 66 17.377 11.793 -15.614 1.00 64.31 H new ATOM 0 HG3 ARG A 66 17.206 10.960 -14.081 1.00 64.31 H new ATOM 0 HD2 ARG A 66 18.599 9.441 -15.066 1.00 45.00 H new ATOM 0 HD3 ARG A 66 17.101 8.812 -15.723 1.00 45.00 H new ATOM 0 HE ARG A 66 17.754 9.496 -17.849 1.00 23.54 H new ATOM 0 HH11 ARG A 66 19.672 11.154 -15.392 1.00 33.11 H new ATOM 0 HH12 ARG A 66 20.770 11.877 -16.572 1.00 33.11 H new ATOM 0 HH21 ARG A 66 19.167 10.429 -19.358 1.00 34.01 H new ATOM 0 HH22 ARG A 66 20.485 11.469 -18.808 1.00 34.01 H new ATOM 1003 N VAL A 67 14.566 9.824 -11.911 1.00 70.34 N ATOM 1004 CA VAL A 67 14.865 8.823 -10.894 1.00 50.10 C ATOM 1005 C VAL A 67 14.349 7.449 -11.306 1.00 54.11 C ATOM 1006 O VAL A 67 13.604 7.320 -12.278 1.00 10.40 O ATOM 1007 CB VAL A 67 14.250 9.204 -9.534 1.00 71.03 C ATOM 1008 CG1 VAL A 67 14.979 10.396 -8.933 1.00 50.03 C ATOM 1009 CG2 VAL A 67 12.765 9.498 -9.685 1.00 71.52 C ATOM 0 H VAL A 67 13.943 10.569 -11.599 1.00 70.34 H new ATOM 0 HA VAL A 67 15.950 8.786 -10.796 1.00 50.10 H new ATOM 0 HB VAL A 67 14.363 8.359 -8.854 1.00 71.03 H new ATOM 0 HG11 VAL A 67 14.530 10.650 -7.973 1.00 50.03 H new ATOM 0 HG12 VAL A 67 16.030 10.144 -8.788 1.00 50.03 H new ATOM 0 HG13 VAL A 67 14.900 11.249 -9.608 1.00 50.03 H new ATOM 0 HG21 VAL A 67 12.347 9.765 -8.715 1.00 71.52 H new ATOM 0 HG22 VAL A 67 12.627 10.326 -10.380 1.00 71.52 H new ATOM 0 HG23 VAL A 67 12.256 8.614 -10.068 1.00 71.52 H new ATOM 1019 N ARG A 68 14.749 6.425 -10.560 1.00 74.41 N ATOM 1020 CA ARG A 68 14.327 5.059 -10.848 1.00 52.11 C ATOM 1021 C ARG A 68 13.509 4.488 -9.694 1.00 33.23 C ATOM 1022 O ARG A 68 14.055 4.120 -8.654 1.00 3.33 O ATOM 1023 CB ARG A 68 15.544 4.172 -11.113 1.00 25.45 C ATOM 1024 CG ARG A 68 15.538 3.523 -12.487 1.00 63.11 C ATOM 1025 CD ARG A 68 15.451 4.563 -13.593 1.00 63.44 C ATOM 1026 NE ARG A 68 16.395 5.659 -13.390 1.00 32.41 N ATOM 1027 CZ ARG A 68 17.683 5.587 -13.705 1.00 3.11 C ATOM 1028 NH1 ARG A 68 18.179 4.478 -14.235 1.00 71.34 N ATOM 1029 NH2 ARG A 68 18.479 6.627 -13.490 1.00 12.14 N ATOM 0 H ARG A 68 15.365 6.515 -9.752 1.00 74.41 H new ATOM 0 HA ARG A 68 13.700 5.079 -11.739 1.00 52.11 H new ATOM 0 HB2 ARG A 68 16.449 4.770 -11.007 1.00 25.45 H new ATOM 0 HB3 ARG A 68 15.587 3.392 -10.353 1.00 25.45 H new ATOM 0 HG2 ARG A 68 16.443 2.929 -12.614 1.00 63.11 H new ATOM 0 HG3 ARG A 68 14.694 2.837 -12.563 1.00 63.11 H new ATOM 0 HD2 ARG A 68 15.649 4.088 -14.554 1.00 63.44 H new ATOM 0 HD3 ARG A 68 14.437 4.961 -13.637 1.00 63.44 H new ATOM 0 HE ARG A 68 16.046 6.527 -12.984 1.00 32.41 H new ATOM 0 HH11 ARG A 68 17.571 3.676 -14.402 1.00 71.34 H new ATOM 0 HH12 ARG A 68 19.169 4.426 -14.476 1.00 71.34 H new ATOM 0 HH21 ARG A 68 18.102 7.482 -13.082 1.00 12.14 H new ATOM 0 HH22 ARG A 68 19.468 6.571 -13.732 1.00 12.14 H new ATOM 1043 N VAL A 69 12.195 4.417 -9.884 1.00 60.24 N ATOM 1044 CA VAL A 69 11.301 3.890 -8.860 1.00 2.00 C ATOM 1045 C VAL A 69 10.716 2.546 -9.280 1.00 14.44 C ATOM 1046 O VAL A 69 10.405 2.333 -10.451 1.00 25.40 O ATOM 1047 CB VAL A 69 10.150 4.869 -8.562 1.00 71.04 C ATOM 1048 CG1 VAL A 69 9.469 5.301 -9.852 1.00 61.22 C ATOM 1049 CG2 VAL A 69 9.149 4.238 -7.606 1.00 54.35 C ATOM 0 H VAL A 69 11.726 4.718 -10.738 1.00 60.24 H new ATOM 0 HA VAL A 69 11.897 3.757 -7.957 1.00 2.00 H new ATOM 0 HB VAL A 69 10.565 5.756 -8.084 1.00 71.04 H new ATOM 0 HG11 VAL A 69 8.658 5.992 -9.622 1.00 61.22 H new ATOM 0 HG12 VAL A 69 10.194 5.795 -10.499 1.00 61.22 H new ATOM 0 HG13 VAL A 69 9.066 4.426 -10.361 1.00 61.22 H new ATOM 0 HG21 VAL A 69 8.342 4.943 -7.406 1.00 54.35 H new ATOM 0 HG22 VAL A 69 8.738 3.334 -8.055 1.00 54.35 H new ATOM 0 HG23 VAL A 69 9.649 3.984 -6.671 1.00 54.35 H new ATOM 1059 N GLU A 70 10.567 1.644 -8.314 1.00 51.44 N ATOM 1060 CA GLU A 70 10.018 0.321 -8.585 1.00 24.32 C ATOM 1061 C GLU A 70 9.153 -0.157 -7.422 1.00 71.45 C ATOM 1062 O GLU A 70 9.196 0.406 -6.328 1.00 42.52 O ATOM 1063 CB GLU A 70 11.147 -0.681 -8.841 1.00 14.24 C ATOM 1064 CG GLU A 70 10.928 -1.542 -10.073 1.00 31.31 C ATOM 1065 CD GLU A 70 12.229 -1.994 -10.707 1.00 61.03 C ATOM 1066 OE1 GLU A 70 12.862 -2.923 -10.163 1.00 44.13 O ATOM 1067 OE2 GLU A 70 12.614 -1.419 -11.747 1.00 21.14 O ATOM 0 H GLU A 70 10.818 1.805 -7.339 1.00 51.44 H new ATOM 0 HA GLU A 70 9.394 0.390 -9.476 1.00 24.32 H new ATOM 0 HB2 GLU A 70 12.086 -0.138 -8.950 1.00 14.24 H new ATOM 0 HB3 GLU A 70 11.252 -1.328 -7.970 1.00 14.24 H new ATOM 0 HG2 GLU A 70 10.338 -2.417 -9.800 1.00 31.31 H new ATOM 0 HG3 GLU A 70 10.347 -0.981 -10.805 1.00 31.31 H new ATOM 1074 N LEU A 71 8.367 -1.200 -7.668 1.00 10.13 N ATOM 1075 CA LEU A 71 7.490 -1.755 -6.643 1.00 0.15 C ATOM 1076 C LEU A 71 8.002 -3.109 -6.163 1.00 21.23 C ATOM 1077 O LEU A 71 7.962 -4.095 -6.898 1.00 61.34 O ATOM 1078 CB LEU A 71 6.066 -1.898 -7.184 1.00 5.21 C ATOM 1079 CG LEU A 71 5.210 -0.631 -7.164 1.00 4.03 C ATOM 1080 CD1 LEU A 71 4.682 -0.321 -8.556 1.00 21.52 C ATOM 1081 CD2 LEU A 71 4.062 -0.779 -6.176 1.00 61.02 C ATOM 0 H LEU A 71 8.319 -1.678 -8.568 1.00 10.13 H new ATOM 0 HA LEU A 71 7.483 -1.069 -5.796 1.00 0.15 H new ATOM 0 HB2 LEU A 71 6.123 -2.257 -8.211 1.00 5.21 H new ATOM 0 HB3 LEU A 71 5.554 -2.667 -6.605 1.00 5.21 H new ATOM 0 HG LEU A 71 5.835 0.202 -6.842 1.00 4.03 H new ATOM 0 HD11 LEU A 71 4.075 0.584 -8.522 1.00 21.52 H new ATOM 0 HD12 LEU A 71 5.519 -0.171 -9.238 1.00 21.52 H new ATOM 0 HD13 LEU A 71 4.073 -1.153 -8.908 1.00 21.52 H new ATOM 0 HD21 LEU A 71 3.463 0.132 -6.175 1.00 61.02 H new ATOM 0 HD22 LEU A 71 3.437 -1.623 -6.468 1.00 61.02 H new ATOM 0 HD23 LEU A 71 4.462 -0.952 -5.177 1.00 61.02 H new ATOM 1093 N SER A 72 8.481 -3.150 -4.924 1.00 3.34 N ATOM 1094 CA SER A 72 9.003 -4.383 -4.346 1.00 12.24 C ATOM 1095 C SER A 72 7.893 -5.416 -4.177 1.00 52.15 C ATOM 1096 O SER A 72 8.146 -6.621 -4.167 1.00 33.15 O ATOM 1097 CB SER A 72 9.660 -4.099 -2.994 1.00 21.24 C ATOM 1098 OG SER A 72 10.972 -4.632 -2.943 1.00 22.04 O ATOM 0 H SER A 72 8.518 -2.343 -4.301 1.00 3.34 H new ATOM 0 HA SER A 72 9.751 -4.787 -5.028 1.00 12.24 H new ATOM 0 HB2 SER A 72 9.694 -3.023 -2.821 1.00 21.24 H new ATOM 0 HB3 SER A 72 9.057 -4.531 -2.195 1.00 21.24 H new ATOM 0 HG SER A 72 11.371 -4.436 -2.070 1.00 22.04 H new