USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=9 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+ -163:sc=-0.000231 (180deg=-0.101) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.565 X(o=-0.57,f=-0.32) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 78:sc= 0.65 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 5.556 -2.144 -2.652 1.00 23.33 N ATOM 19 CA LYS A 2 6.837 -1.518 -2.346 1.00 23.52 C ATOM 20 C LYS A 2 7.246 -0.548 -3.449 1.00 52.41 C ATOM 21 O LYS A 2 6.986 -0.787 -4.628 1.00 61.43 O ATOM 22 CB LYS A 2 7.919 -2.586 -2.165 1.00 1.44 C ATOM 23 CG LYS A 2 7.726 -3.443 -0.926 1.00 70.40 C ATOM 24 CD LYS A 2 8.773 -4.541 -0.839 1.00 71.22 C ATOM 25 CE LYS A 2 8.207 -5.887 -1.266 1.00 54.45 C ATOM 26 NZ LYS A 2 7.247 -6.428 -0.264 1.00 64.13 N ATOM 0 HA LYS A 2 6.727 -0.959 -1.417 1.00 23.52 H new ATOM 0 HB2 LYS A 2 7.932 -3.231 -3.044 1.00 1.44 H new ATOM 0 HB3 LYS A 2 8.893 -2.099 -2.112 1.00 1.44 H new ATOM 0 HG2 LYS A 2 7.781 -2.816 -0.036 1.00 70.40 H new ATOM 0 HG3 LYS A 2 6.731 -3.888 -0.942 1.00 70.40 H new ATOM 0 HD2 LYS A 2 9.623 -4.285 -1.472 1.00 71.22 H new ATOM 0 HD3 LYS A 2 9.146 -4.610 0.183 1.00 71.22 H new ATOM 0 HE2 LYS A 2 7.706 -5.782 -2.229 1.00 54.45 H new ATOM 0 HE3 LYS A 2 9.023 -6.596 -1.407 1.00 54.45 H new ATOM 0 HZ1 LYS A 2 7.105 -7.444 -0.433 1.00 64.13 H new ATOM 0 HZ2 LYS A 2 7.627 -6.286 0.693 1.00 64.13 H new ATOM 0 HZ3 LYS A 2 6.337 -5.932 -0.352 1.00 64.13 H new ATOM 40 N VAL A 3 7.888 0.549 -3.058 1.00 72.15 N ATOM 41 CA VAL A 3 8.335 1.555 -4.015 1.00 33.33 C ATOM 42 C VAL A 3 9.829 1.821 -3.874 1.00 0.43 C ATOM 43 O VAL A 3 10.357 1.883 -2.763 1.00 63.43 O ATOM 44 CB VAL A 3 7.569 2.879 -3.835 1.00 72.04 C ATOM 45 CG1 VAL A 3 7.517 3.648 -5.147 1.00 4.02 C ATOM 46 CG2 VAL A 3 6.167 2.616 -3.307 1.00 31.12 C ATOM 0 H VAL A 3 8.110 0.763 -2.086 1.00 72.15 H new ATOM 0 HA VAL A 3 8.132 1.159 -5.010 1.00 33.33 H new ATOM 0 HB VAL A 3 8.100 3.489 -3.104 1.00 72.04 H new ATOM 0 HG11 VAL A 3 6.972 4.581 -5.001 1.00 4.02 H new ATOM 0 HG12 VAL A 3 8.531 3.869 -5.480 1.00 4.02 H new ATOM 0 HG13 VAL A 3 7.010 3.046 -5.902 1.00 4.02 H new ATOM 0 HG21 VAL A 3 5.640 3.563 -3.186 1.00 31.12 H new ATOM 0 HG22 VAL A 3 5.625 1.987 -4.013 1.00 31.12 H new ATOM 0 HG23 VAL A 3 6.230 2.110 -2.344 1.00 31.12 H new ATOM 56 N TYR A 4 10.505 1.980 -5.006 1.00 23.10 N ATOM 57 CA TYR A 4 11.940 2.238 -5.009 1.00 43.44 C ATOM 58 C TYR A 4 12.265 3.499 -5.805 1.00 12.34 C ATOM 59 O TYR A 4 12.265 3.488 -7.036 1.00 1.33 O ATOM 60 CB TYR A 4 12.694 1.044 -5.597 1.00 34.44 C ATOM 61 CG TYR A 4 13.037 -0.017 -4.575 1.00 74.33 C ATOM 62 CD1 TYR A 4 12.151 -1.050 -4.293 1.00 2.13 C ATOM 63 CD2 TYR A 4 14.247 0.013 -3.894 1.00 21.34 C ATOM 64 CE1 TYR A 4 12.460 -2.021 -3.360 1.00 3.32 C ATOM 65 CE2 TYR A 4 14.565 -0.955 -2.960 1.00 43.22 C ATOM 66 CZ TYR A 4 13.668 -1.969 -2.696 1.00 45.04 C ATOM 67 OH TYR A 4 13.981 -2.935 -1.767 1.00 53.05 O ATOM 0 H TYR A 4 10.083 1.935 -5.933 1.00 23.10 H new ATOM 0 HA TYR A 4 12.258 2.388 -3.977 1.00 43.44 H new ATOM 0 HB2 TYR A 4 12.090 0.596 -6.385 1.00 34.44 H new ATOM 0 HB3 TYR A 4 13.613 1.399 -6.063 1.00 34.44 H new ATOM 0 HD1 TYR A 4 11.205 -1.094 -4.812 1.00 2.13 H new ATOM 0 HD2 TYR A 4 14.951 0.806 -4.098 1.00 21.34 H new ATOM 0 HE1 TYR A 4 11.760 -2.816 -3.152 1.00 3.32 H new ATOM 0 HE2 TYR A 4 15.511 -0.918 -2.440 1.00 43.22 H new ATOM 0 HH TYR A 4 14.868 -2.753 -1.392 1.00 53.05 H new ATOM 77 N VAL A 5 12.542 4.586 -5.091 1.00 53.11 N ATOM 78 CA VAL A 5 12.870 5.856 -5.728 1.00 60.23 C ATOM 79 C VAL A 5 14.345 6.197 -5.546 1.00 72.23 C ATOM 80 O VAL A 5 14.770 6.602 -4.466 1.00 3.15 O ATOM 81 CB VAL A 5 12.015 7.005 -5.163 1.00 0.34 C ATOM 82 CG1 VAL A 5 10.589 6.917 -5.684 1.00 71.30 C ATOM 83 CG2 VAL A 5 12.038 6.987 -3.642 1.00 35.13 C ATOM 0 H VAL A 5 12.546 4.612 -4.071 1.00 53.11 H new ATOM 0 HA VAL A 5 12.655 5.742 -6.790 1.00 60.23 H new ATOM 0 HB VAL A 5 12.441 7.950 -5.499 1.00 0.34 H new ATOM 0 HG11 VAL A 5 10.000 7.737 -5.274 1.00 71.30 H new ATOM 0 HG12 VAL A 5 10.594 6.983 -6.772 1.00 71.30 H new ATOM 0 HG13 VAL A 5 10.149 5.967 -5.380 1.00 71.30 H new ATOM 0 HG21 VAL A 5 11.429 7.806 -3.259 1.00 35.13 H new ATOM 0 HG22 VAL A 5 11.638 6.039 -3.283 1.00 35.13 H new ATOM 0 HG23 VAL A 5 13.064 7.104 -3.292 1.00 35.13 H new ATOM 93 N GLY A 6 15.121 6.030 -6.613 1.00 23.02 N ATOM 94 CA GLY A 6 16.541 6.325 -6.550 1.00 52.13 C ATOM 95 C GLY A 6 16.963 7.362 -7.572 1.00 70.13 C ATOM 96 O GLY A 6 16.136 8.124 -8.071 1.00 60.21 O ATOM 0 H GLY A 6 14.792 5.696 -7.519 1.00 23.02 H new ATOM 0 HA2 GLY A 6 16.791 6.681 -5.551 1.00 52.13 H new ATOM 0 HA3 GLY A 6 17.107 5.408 -6.712 1.00 52.13 H new ATOM 100 N ASN A 7 18.255 7.392 -7.883 1.00 72.05 N ATOM 101 CA ASN A 7 18.786 8.345 -8.851 1.00 52.12 C ATOM 102 C ASN A 7 18.599 9.778 -8.362 1.00 4.10 C ATOM 103 O ASN A 7 17.847 10.555 -8.952 1.00 62.43 O ATOM 104 CB ASN A 7 18.099 8.164 -10.206 1.00 62.34 C ATOM 105 CG ASN A 7 18.849 7.204 -11.111 1.00 10.54 C ATOM 106 OD1 ASN A 7 19.410 7.606 -12.130 1.00 62.54 O ATOM 107 ND2 ASN A 7 18.861 5.929 -10.740 1.00 2.41 N ATOM 0 H ASN A 7 18.953 6.768 -7.479 1.00 72.05 H new ATOM 0 HA ASN A 7 19.853 8.154 -8.963 1.00 52.12 H new ATOM 0 HB2 ASN A 7 17.085 7.795 -10.050 1.00 62.34 H new ATOM 0 HB3 ASN A 7 18.013 9.132 -10.699 1.00 62.34 H new ATOM 0 HD21 ASN A 7 19.349 5.237 -11.308 1.00 2.41 H new ATOM 0 HD22 ASN A 7 18.382 5.642 -9.887 1.00 2.41 H new ATOM 114 N LEU A 8 19.289 10.122 -7.280 1.00 44.43 N ATOM 115 CA LEU A 8 19.201 11.463 -6.711 1.00 23.30 C ATOM 116 C LEU A 8 20.441 12.282 -7.053 1.00 42.33 C ATOM 117 O LEU A 8 21.123 12.796 -6.167 1.00 72.40 O ATOM 118 CB LEU A 8 19.032 11.383 -5.193 1.00 14.12 C ATOM 119 CG LEU A 8 18.149 10.247 -4.675 1.00 13.33 C ATOM 120 CD1 LEU A 8 17.952 10.367 -3.171 1.00 41.34 C ATOM 121 CD2 LEU A 8 16.806 10.246 -5.391 1.00 64.15 C ATOM 0 H LEU A 8 19.915 9.492 -6.779 1.00 44.43 H new ATOM 0 HA LEU A 8 18.331 11.958 -7.142 1.00 23.30 H new ATOM 0 HB2 LEU A 8 20.019 11.283 -4.742 1.00 14.12 H new ATOM 0 HB3 LEU A 8 18.616 12.328 -4.843 1.00 14.12 H new ATOM 0 HG LEU A 8 18.650 9.301 -4.882 1.00 13.33 H new ATOM 0 HD11 LEU A 8 17.321 9.550 -2.820 1.00 41.34 H new ATOM 0 HD12 LEU A 8 18.920 10.318 -2.672 1.00 41.34 H new ATOM 0 HD13 LEU A 8 17.474 11.319 -2.942 1.00 41.34 H new ATOM 0 HD21 LEU A 8 16.191 9.431 -5.010 1.00 64.15 H new ATOM 0 HD22 LEU A 8 16.300 11.195 -5.216 1.00 64.15 H new ATOM 0 HD23 LEU A 8 16.964 10.111 -6.461 1.00 64.15 H new ATOM 161 N ALA A 12 17.060 16.008 -6.159 1.00 24.11 N ATOM 162 CA ALA A 12 15.795 15.378 -5.803 1.00 22.14 C ATOM 163 C ALA A 12 15.999 14.293 -4.751 1.00 21.22 C ATOM 164 O ALA A 12 16.490 13.206 -5.053 1.00 71.02 O ATOM 165 CB ALA A 12 15.128 14.797 -7.040 1.00 52.15 C ATOM 0 HA ALA A 12 15.144 16.142 -5.378 1.00 22.14 H new ATOM 0 HB1 ALA A 12 14.184 14.330 -6.759 1.00 52.15 H new ATOM 0 HB2 ALA A 12 14.938 15.594 -7.759 1.00 52.15 H new ATOM 0 HB3 ALA A 12 15.783 14.051 -7.490 1.00 52.15 H new ATOM 171 N GLY A 13 15.619 14.596 -3.513 1.00 64.20 N ATOM 172 CA GLY A 13 15.770 13.636 -2.435 1.00 72.21 C ATOM 173 C GLY A 13 14.460 13.346 -1.730 1.00 73.20 C ATOM 174 O GLY A 13 13.459 13.022 -2.370 1.00 63.25 O ATOM 0 H GLY A 13 15.210 15.489 -3.238 1.00 64.20 H new ATOM 0 HA2 GLY A 13 16.178 12.707 -2.834 1.00 72.21 H new ATOM 0 HA3 GLY A 13 16.492 14.016 -1.712 1.00 72.21 H new ATOM 178 N LYS A 14 14.464 13.460 -0.406 1.00 40.53 N ATOM 179 CA LYS A 14 13.268 13.208 0.388 1.00 54.10 C ATOM 180 C LYS A 14 12.186 14.240 0.085 1.00 32.11 C ATOM 181 O LYS A 14 11.034 13.890 -0.169 1.00 21.22 O ATOM 182 CB LYS A 14 13.607 13.232 1.880 1.00 34.11 C ATOM 183 CG LYS A 14 12.855 12.191 2.691 1.00 13.04 C ATOM 184 CD LYS A 14 13.350 12.139 4.127 1.00 34.21 C ATOM 185 CE LYS A 14 12.277 11.612 5.068 1.00 54.03 C ATOM 186 NZ LYS A 14 12.789 10.515 5.934 1.00 32.24 N ATOM 0 H LYS A 14 15.284 13.726 0.140 1.00 40.53 H new ATOM 0 HA LYS A 14 12.888 12.221 0.124 1.00 54.10 H new ATOM 0 HB2 LYS A 14 14.678 13.072 2.003 1.00 34.11 H new ATOM 0 HB3 LYS A 14 13.384 14.222 2.279 1.00 34.11 H new ATOM 0 HG2 LYS A 14 11.789 12.420 2.681 1.00 13.04 H new ATOM 0 HG3 LYS A 14 12.975 11.211 2.228 1.00 13.04 H new ATOM 0 HD2 LYS A 14 14.232 11.501 4.186 1.00 34.21 H new ATOM 0 HD3 LYS A 14 13.656 13.136 4.444 1.00 34.21 H new ATOM 0 HE2 LYS A 14 11.910 12.426 5.693 1.00 54.03 H new ATOM 0 HE3 LYS A 14 11.430 11.250 4.486 1.00 54.03 H new ATOM 0 HZ1 LYS A 14 12.028 10.183 6.560 1.00 32.24 H new ATOM 0 HZ2 LYS A 14 13.116 9.727 5.339 1.00 32.24 H new ATOM 0 HZ3 LYS A 14 13.581 10.867 6.508 1.00 32.24 H new ATOM 200 N GLY A 15 12.565 15.514 0.112 1.00 1.14 N ATOM 201 CA GLY A 15 11.616 16.577 -0.162 1.00 73.34 C ATOM 202 C GLY A 15 11.014 16.472 -1.550 1.00 33.15 C ATOM 203 O GLY A 15 9.806 16.632 -1.722 1.00 32.50 O ATOM 0 H GLY A 15 13.513 15.829 0.319 1.00 1.14 H new ATOM 0 HA2 GLY A 15 10.818 16.548 0.580 1.00 73.34 H new ATOM 0 HA3 GLY A 15 12.114 17.541 -0.057 1.00 73.34 H new ATOM 207 N GLU A 16 11.858 16.205 -2.541 1.00 21.41 N ATOM 208 CA GLU A 16 11.401 16.082 -3.920 1.00 63.42 C ATOM 209 C GLU A 16 10.433 14.912 -4.070 1.00 54.24 C ATOM 210 O GLU A 16 9.291 15.088 -4.498 1.00 33.14 O ATOM 211 CB GLU A 16 12.594 15.895 -4.861 1.00 34.51 C ATOM 212 CG GLU A 16 12.693 16.963 -5.937 1.00 24.40 C ATOM 213 CD GLU A 16 11.543 16.906 -6.924 1.00 25.32 C ATOM 214 OE1 GLU A 16 11.361 15.849 -7.563 1.00 31.54 O ATOM 215 OE2 GLU A 16 10.826 17.919 -7.057 1.00 11.33 O ATOM 0 H GLU A 16 12.861 16.070 -2.415 1.00 21.41 H new ATOM 0 HA GLU A 16 10.878 17.000 -4.186 1.00 63.42 H new ATOM 0 HB2 GLU A 16 13.513 15.896 -4.274 1.00 34.51 H new ATOM 0 HB3 GLU A 16 12.521 14.917 -5.337 1.00 34.51 H new ATOM 0 HG2 GLU A 16 12.715 17.946 -5.467 1.00 24.40 H new ATOM 0 HG3 GLU A 16 13.634 16.846 -6.474 1.00 24.40 H new ATOM 222 N LEU A 17 10.896 13.719 -3.717 1.00 23.41 N ATOM 223 CA LEU A 17 10.072 12.519 -3.812 1.00 61.32 C ATOM 224 C LEU A 17 8.815 12.652 -2.959 1.00 53.52 C ATOM 225 O LEU A 17 7.766 12.101 -3.292 1.00 44.01 O ATOM 226 CB LEU A 17 10.872 11.291 -3.373 1.00 73.33 C ATOM 227 CG LEU A 17 10.868 10.988 -1.874 1.00 71.15 C ATOM 228 CD1 LEU A 17 9.680 10.111 -1.510 1.00 61.11 C ATOM 229 CD2 LEU A 17 12.172 10.321 -1.462 1.00 0.12 C ATOM 0 H LEU A 17 11.838 13.556 -3.362 1.00 23.41 H new ATOM 0 HA LEU A 17 9.771 12.397 -4.853 1.00 61.32 H new ATOM 0 HB2 LEU A 17 10.482 10.420 -3.900 1.00 73.33 H new ATOM 0 HB3 LEU A 17 11.905 11.422 -3.694 1.00 73.33 H new ATOM 0 HG LEU A 17 10.778 11.930 -1.332 1.00 71.15 H new ATOM 0 HD11 LEU A 17 9.694 9.906 -0.440 1.00 61.11 H new ATOM 0 HD12 LEU A 17 8.755 10.626 -1.769 1.00 61.11 H new ATOM 0 HD13 LEU A 17 9.739 9.172 -2.060 1.00 61.11 H new ATOM 0 HD21 LEU A 17 12.152 10.113 -0.392 1.00 0.12 H new ATOM 0 HD22 LEU A 17 12.293 9.387 -2.011 1.00 0.12 H new ATOM 0 HD23 LEU A 17 13.007 10.985 -1.687 1.00 0.12 H new ATOM 241 N GLU A 18 8.928 13.390 -1.859 1.00 52.21 N ATOM 242 CA GLU A 18 7.799 13.597 -0.960 1.00 10.34 C ATOM 243 C GLU A 18 6.707 14.420 -1.637 1.00 71.35 C ATOM 244 O GLU A 18 5.532 14.051 -1.614 1.00 5.12 O ATOM 245 CB GLU A 18 8.260 14.298 0.320 1.00 31.33 C ATOM 246 CG GLU A 18 7.125 14.633 1.273 1.00 12.21 C ATOM 247 CD GLU A 18 7.585 14.742 2.714 1.00 63.12 C ATOM 248 OE1 GLU A 18 7.796 13.688 3.350 1.00 61.23 O ATOM 249 OE2 GLU A 18 7.735 15.880 3.205 1.00 33.13 O ATOM 0 H GLU A 18 9.789 13.854 -1.569 1.00 52.21 H new ATOM 0 HA GLU A 18 7.388 12.620 -0.704 1.00 10.34 H new ATOM 0 HB2 GLU A 18 8.979 13.661 0.835 1.00 31.33 H new ATOM 0 HB3 GLU A 18 8.782 15.217 0.053 1.00 31.33 H new ATOM 0 HG2 GLU A 18 6.667 15.574 0.970 1.00 12.21 H new ATOM 0 HG3 GLU A 18 6.355 13.865 1.199 1.00 12.21 H new ATOM 256 N ARG A 19 7.103 15.536 -2.240 1.00 61.13 N ATOM 257 CA ARG A 19 6.159 16.412 -2.923 1.00 52.02 C ATOM 258 C ARG A 19 5.474 15.681 -4.075 1.00 2.34 C ATOM 259 O ARG A 19 4.261 15.781 -4.252 1.00 35.13 O ATOM 260 CB ARG A 19 6.875 17.657 -3.449 1.00 54.52 C ATOM 261 CG ARG A 19 6.005 18.529 -4.340 1.00 52.21 C ATOM 262 CD ARG A 19 6.793 19.693 -4.921 1.00 15.12 C ATOM 263 NE ARG A 19 6.850 19.642 -6.379 1.00 73.12 N ATOM 264 CZ ARG A 19 5.872 20.072 -7.169 1.00 35.44 C ATOM 265 NH1 ARG A 19 4.767 20.582 -6.643 1.00 14.03 N ATOM 266 NH2 ARG A 19 5.998 19.992 -8.487 1.00 73.40 N ATOM 0 H ARG A 19 8.071 15.855 -2.269 1.00 61.13 H new ATOM 0 HA ARG A 19 5.398 16.715 -2.204 1.00 52.02 H new ATOM 0 HB2 ARG A 19 7.223 18.250 -2.603 1.00 54.52 H new ATOM 0 HB3 ARG A 19 7.759 17.349 -4.008 1.00 54.52 H new ATOM 0 HG2 ARG A 19 5.593 17.927 -5.150 1.00 52.21 H new ATOM 0 HG3 ARG A 19 5.161 18.910 -3.765 1.00 52.21 H new ATOM 0 HD2 ARG A 19 6.336 20.632 -4.609 1.00 15.12 H new ATOM 0 HD3 ARG A 19 7.806 19.682 -4.518 1.00 15.12 H new ATOM 0 HE ARG A 19 7.687 19.255 -6.815 1.00 73.12 H new ATOM 0 HH11 ARG A 19 4.666 20.645 -5.630 1.00 14.03 H new ATOM 0 HH12 ARG A 19 4.018 20.911 -7.251 1.00 14.03 H new ATOM 0 HH21 ARG A 19 6.847 19.600 -8.895 1.00 73.40 H new ATOM 0 HH22 ARG A 19 5.246 20.322 -9.092 1.00 73.40 H new ATOM 280 N ALA A 20 6.261 14.948 -4.855 1.00 25.25 N ATOM 281 CA ALA A 20 5.731 14.199 -5.988 1.00 3.55 C ATOM 282 C ALA A 20 4.750 13.127 -5.526 1.00 42.14 C ATOM 283 O ALA A 20 3.569 13.162 -5.872 1.00 10.31 O ATOM 284 CB ALA A 20 6.866 13.572 -6.783 1.00 43.23 C ATOM 0 H ALA A 20 7.268 14.857 -4.723 1.00 25.25 H new ATOM 0 HA ALA A 20 5.192 14.894 -6.632 1.00 3.55 H new ATOM 0 HB1 ALA A 20 6.456 13.016 -7.626 1.00 43.23 H new ATOM 0 HB2 ALA A 20 7.528 14.356 -7.153 1.00 43.23 H new ATOM 0 HB3 ALA A 20 7.429 12.895 -6.141 1.00 43.23 H new ATOM 290 N PHE A 21 5.247 12.174 -4.745 1.00 32.11 N ATOM 291 CA PHE A 21 4.414 11.090 -4.238 1.00 32.22 C ATOM 292 C PHE A 21 3.156 11.637 -3.569 1.00 41.34 C ATOM 293 O PHE A 21 2.039 11.259 -3.920 1.00 74.53 O ATOM 294 CB PHE A 21 5.202 10.235 -3.244 1.00 22.44 C ATOM 295 CG PHE A 21 5.948 9.101 -3.888 1.00 35.34 C ATOM 296 CD1 PHE A 21 6.983 9.350 -4.774 1.00 21.53 C ATOM 297 CD2 PHE A 21 5.612 7.786 -3.607 1.00 22.10 C ATOM 298 CE1 PHE A 21 7.671 8.308 -5.368 1.00 4.42 C ATOM 299 CE2 PHE A 21 6.297 6.741 -4.198 1.00 21.24 C ATOM 300 CZ PHE A 21 7.327 7.002 -5.080 1.00 0.30 C ATOM 0 H PHE A 21 6.222 12.130 -4.449 1.00 32.11 H new ATOM 0 HA PHE A 21 4.115 10.470 -5.083 1.00 32.22 H new ATOM 0 HB2 PHE A 21 5.911 10.870 -2.713 1.00 22.44 H new ATOM 0 HB3 PHE A 21 4.515 9.831 -2.500 1.00 22.44 H new ATOM 0 HD1 PHE A 21 7.256 10.369 -5.004 1.00 21.53 H new ATOM 0 HD2 PHE A 21 4.806 7.576 -2.919 1.00 22.10 H new ATOM 0 HE1 PHE A 21 8.477 8.515 -6.057 1.00 4.42 H new ATOM 0 HE2 PHE A 21 6.027 5.721 -3.970 1.00 21.24 H new ATOM 0 HZ PHE A 21 7.862 6.187 -5.544 1.00 0.30 H new ATOM 310 N SER A 22 3.347 12.531 -2.604 1.00 23.41 N ATOM 311 CA SER A 22 2.229 13.128 -1.883 1.00 25.45 C ATOM 312 C SER A 22 1.220 13.736 -2.852 1.00 5.24 C ATOM 313 O SER A 22 0.012 13.559 -2.699 1.00 54.11 O ATOM 314 CB SER A 22 2.734 14.199 -0.914 1.00 51.21 C ATOM 315 OG SER A 22 1.657 14.946 -0.374 1.00 24.55 O ATOM 0 H SER A 22 4.265 12.858 -2.304 1.00 23.41 H new ATOM 0 HA SER A 22 1.732 12.341 -1.316 1.00 25.45 H new ATOM 0 HB2 SER A 22 3.295 13.728 -0.107 1.00 51.21 H new ATOM 0 HB3 SER A 22 3.421 14.868 -1.432 1.00 51.21 H new ATOM 0 HG SER A 22 2.005 15.623 0.243 1.00 24.55 H new ATOM 321 N TYR A 23 1.726 14.454 -3.848 1.00 61.14 N ATOM 322 CA TYR A 23 0.870 15.092 -4.842 1.00 23.51 C ATOM 323 C TYR A 23 -0.028 14.066 -5.526 1.00 63.54 C ATOM 324 O TYR A 23 -1.232 14.276 -5.671 1.00 32.02 O ATOM 325 CB TYR A 23 1.719 15.819 -5.885 1.00 44.44 C ATOM 326 CG TYR A 23 1.857 17.303 -5.627 1.00 35.23 C ATOM 327 CD1 TYR A 23 2.136 17.783 -4.353 1.00 42.35 C ATOM 328 CD2 TYR A 23 1.707 18.224 -6.656 1.00 62.03 C ATOM 329 CE1 TYR A 23 2.261 19.138 -4.113 1.00 24.33 C ATOM 330 CE2 TYR A 23 1.832 19.580 -6.425 1.00 43.20 C ATOM 331 CZ TYR A 23 2.109 20.032 -5.152 1.00 11.14 C ATOM 332 OH TYR A 23 2.234 21.382 -4.916 1.00 43.11 O ATOM 0 H TYR A 23 2.724 14.609 -3.989 1.00 61.14 H new ATOM 0 HA TYR A 23 0.238 15.817 -4.329 1.00 23.51 H new ATOM 0 HB2 TYR A 23 2.712 15.369 -5.910 1.00 44.44 H new ATOM 0 HB3 TYR A 23 1.276 15.670 -6.870 1.00 44.44 H new ATOM 0 HD1 TYR A 23 2.257 17.086 -3.537 1.00 42.35 H new ATOM 0 HD2 TYR A 23 1.489 17.874 -7.654 1.00 62.03 H new ATOM 0 HE1 TYR A 23 2.477 19.495 -3.117 1.00 24.33 H new ATOM 0 HE2 TYR A 23 1.713 20.282 -7.237 1.00 43.20 H new ATOM 0 HH TYR A 23 2.099 21.874 -5.753 1.00 43.11 H new ATOM 342 N TYR A 24 0.568 12.955 -5.945 1.00 73.55 N ATOM 343 CA TYR A 24 -0.176 11.895 -6.617 1.00 13.24 C ATOM 344 C TYR A 24 -1.087 11.163 -5.635 1.00 50.45 C ATOM 345 O TYR A 24 -2.134 10.640 -6.014 1.00 51.44 O ATOM 346 CB TYR A 24 0.786 10.904 -7.273 1.00 4.03 C ATOM 347 CG TYR A 24 1.339 11.382 -8.597 1.00 15.14 C ATOM 348 CD1 TYR A 24 2.074 12.558 -8.681 1.00 62.42 C ATOM 349 CD2 TYR A 24 1.125 10.657 -9.763 1.00 2.42 C ATOM 350 CE1 TYR A 24 2.580 12.998 -9.889 1.00 12.42 C ATOM 351 CE2 TYR A 24 1.628 11.090 -10.975 1.00 23.14 C ATOM 352 CZ TYR A 24 2.354 12.261 -11.033 1.00 5.15 C ATOM 353 OH TYR A 24 2.858 12.696 -12.237 1.00 53.12 O ATOM 0 H TYR A 24 1.564 12.765 -5.831 1.00 73.55 H new ATOM 0 HA TYR A 24 -0.795 12.353 -7.388 1.00 13.24 H new ATOM 0 HB2 TYR A 24 1.614 10.710 -6.592 1.00 4.03 H new ATOM 0 HB3 TYR A 24 0.270 9.956 -7.425 1.00 4.03 H new ATOM 0 HD1 TYR A 24 2.253 13.138 -7.787 1.00 62.42 H new ATOM 0 HD2 TYR A 24 0.556 9.740 -9.721 1.00 2.42 H new ATOM 0 HE1 TYR A 24 3.150 13.914 -9.937 1.00 12.42 H new ATOM 0 HE2 TYR A 24 1.453 10.514 -11.872 1.00 23.14 H new ATOM 0 HH TYR A 24 2.611 12.063 -12.943 1.00 53.12 H new ATOM 363 N GLY A 25 -0.679 11.132 -4.370 1.00 72.43 N ATOM 364 CA GLY A 25 -1.469 10.463 -3.353 1.00 22.40 C ATOM 365 C GLY A 25 -0.687 10.224 -2.076 1.00 72.44 C ATOM 366 O GLY A 25 0.544 10.200 -2.072 1.00 72.21 O ATOM 0 H GLY A 25 0.184 11.558 -4.032 1.00 72.43 H new ATOM 0 HA2 GLY A 25 -2.351 11.063 -3.129 1.00 22.40 H new ATOM 0 HA3 GLY A 25 -1.824 9.509 -3.742 1.00 22.40 H new ATOM 370 N PRO A 26 -1.409 10.043 -0.961 1.00 35.23 N ATOM 371 CA PRO A 26 -0.796 9.803 0.349 1.00 73.51 C ATOM 372 C PRO A 26 -0.136 8.431 0.437 1.00 62.00 C ATOM 373 O PRO A 26 -0.811 7.402 0.397 1.00 60.43 O ATOM 374 CB PRO A 26 -1.980 9.889 1.316 1.00 42.11 C ATOM 375 CG PRO A 26 -3.170 9.541 0.490 1.00 0.30 C ATOM 376 CD PRO A 26 -2.880 10.058 -0.892 1.00 53.30 C ATOM 0 HA PRO A 26 -0.000 10.516 0.563 1.00 73.51 H new ATOM 0 HB2 PRO A 26 -1.861 9.197 2.150 1.00 42.11 H new ATOM 0 HB3 PRO A 26 -2.072 10.888 1.741 1.00 42.11 H new ATOM 0 HG2 PRO A 26 -3.335 8.464 0.477 1.00 0.30 H new ATOM 0 HG3 PRO A 26 -4.073 9.997 0.896 1.00 0.30 H new ATOM 0 HD2 PRO A 26 -3.325 9.424 -1.659 1.00 53.30 H new ATOM 0 HD3 PRO A 26 -3.279 11.062 -1.037 1.00 53.30 H new ATOM 384 N LEU A 27 1.187 8.423 0.558 1.00 41.44 N ATOM 385 CA LEU A 27 1.940 7.177 0.652 1.00 13.21 C ATOM 386 C LEU A 27 2.005 6.688 2.096 1.00 53.55 C ATOM 387 O LEU A 27 1.716 7.438 3.029 1.00 63.04 O ATOM 388 CB LEU A 27 3.354 7.370 0.103 1.00 62.24 C ATOM 389 CG LEU A 27 4.186 8.471 0.761 1.00 53.54 C ATOM 390 CD1 LEU A 27 4.797 7.974 2.061 1.00 12.24 C ATOM 391 CD2 LEU A 27 5.271 8.960 -0.188 1.00 73.53 C ATOM 0 H LEU A 27 1.761 9.266 0.593 1.00 41.44 H new ATOM 0 HA LEU A 27 1.425 6.424 0.055 1.00 13.21 H new ATOM 0 HB2 LEU A 27 3.892 6.427 0.202 1.00 62.24 H new ATOM 0 HB3 LEU A 27 3.282 7.585 -0.963 1.00 62.24 H new ATOM 0 HG LEU A 27 3.527 9.309 0.990 1.00 53.54 H new ATOM 0 HD11 LEU A 27 5.386 8.771 2.515 1.00 12.24 H new ATOM 0 HD12 LEU A 27 4.003 7.675 2.745 1.00 12.24 H new ATOM 0 HD13 LEU A 27 5.441 7.119 1.857 1.00 12.24 H new ATOM 0 HD21 LEU A 27 5.853 9.743 0.297 1.00 73.53 H new ATOM 0 HD22 LEU A 27 5.927 8.130 -0.449 1.00 73.53 H new ATOM 0 HD23 LEU A 27 4.811 9.358 -1.093 1.00 73.53 H new ATOM 403 N ARG A 28 2.387 5.428 2.271 1.00 24.03 N ATOM 404 CA ARG A 28 2.492 4.840 3.601 1.00 35.51 C ATOM 405 C ARG A 28 3.625 5.484 4.394 1.00 62.15 C ATOM 406 O ARG A 28 3.422 5.970 5.507 1.00 71.13 O ATOM 407 CB ARG A 28 2.721 3.331 3.498 1.00 74.51 C ATOM 408 CG ARG A 28 1.713 2.506 4.282 1.00 13.42 C ATOM 409 CD ARG A 28 2.219 2.191 5.681 1.00 12.42 C ATOM 410 NE ARG A 28 2.240 3.376 6.535 1.00 1.01 N ATOM 411 CZ ARG A 28 2.680 3.371 7.788 1.00 23.34 C ATOM 412 NH1 ARG A 28 3.134 2.249 8.330 1.00 32.15 N ATOM 413 NH2 ARG A 28 2.668 4.489 8.502 1.00 50.30 N ATOM 0 H ARG A 28 2.629 4.794 1.509 1.00 24.03 H new ATOM 0 HA ARG A 28 1.555 5.024 4.126 1.00 35.51 H new ATOM 0 HB2 ARG A 28 2.681 3.037 2.449 1.00 74.51 H new ATOM 0 HB3 ARG A 28 3.724 3.099 3.856 1.00 74.51 H new ATOM 0 HG2 ARG A 28 0.770 3.049 4.349 1.00 13.42 H new ATOM 0 HG3 ARG A 28 1.509 1.577 3.750 1.00 13.42 H new ATOM 0 HD2 ARG A 28 1.584 1.429 6.133 1.00 12.42 H new ATOM 0 HD3 ARG A 28 3.223 1.772 5.618 1.00 12.42 H new ATOM 0 HE ARG A 28 1.898 4.255 6.148 1.00 1.01 H new ATOM 0 HH11 ARG A 28 3.146 1.387 7.784 1.00 32.15 H new ATOM 0 HH12 ARG A 28 3.471 2.248 9.293 1.00 32.15 H new ATOM 0 HH21 ARG A 28 2.320 5.354 8.089 1.00 50.30 H new ATOM 0 HH22 ARG A 28 3.006 4.483 9.464 1.00 50.30 H new ATOM 427 N THR A 29 4.821 5.484 3.813 1.00 60.05 N ATOM 428 CA THR A 29 5.987 6.066 4.464 1.00 3.41 C ATOM 429 C THR A 29 7.134 6.251 3.477 1.00 71.23 C ATOM 430 O THR A 29 7.245 5.517 2.495 1.00 62.42 O ATOM 431 CB THR A 29 6.470 5.193 5.637 1.00 25.50 C ATOM 432 OG1 THR A 29 6.068 3.833 5.434 1.00 53.52 O ATOM 433 CG2 THR A 29 5.911 5.701 6.957 1.00 74.30 C ATOM 0 H THR A 29 5.007 5.087 2.892 1.00 60.05 H new ATOM 0 HA THR A 29 5.681 7.039 4.847 1.00 3.41 H new ATOM 0 HB THR A 29 7.558 5.248 5.677 1.00 25.50 H new ATOM 0 HG1 THR A 29 6.380 3.284 6.183 1.00 53.52 H new ATOM 0 HG21 THR A 29 6.266 5.068 7.770 1.00 74.30 H new ATOM 0 HG22 THR A 29 6.244 6.726 7.123 1.00 74.30 H new ATOM 0 HG23 THR A 29 4.822 5.674 6.925 1.00 74.30 H new ATOM 441 N VAL A 30 7.986 7.236 3.743 1.00 32.24 N ATOM 442 CA VAL A 30 9.126 7.516 2.879 1.00 71.43 C ATOM 443 C VAL A 30 10.440 7.190 3.579 1.00 21.44 C ATOM 444 O VAL A 30 10.566 7.356 4.793 1.00 70.54 O ATOM 445 CB VAL A 30 9.145 8.990 2.435 1.00 4.52 C ATOM 446 CG1 VAL A 30 9.091 9.912 3.644 1.00 43.42 C ATOM 447 CG2 VAL A 30 10.378 9.276 1.591 1.00 3.31 C ATOM 0 H VAL A 30 7.908 7.854 4.551 1.00 32.24 H new ATOM 0 HA VAL A 30 9.020 6.881 2.000 1.00 71.43 H new ATOM 0 HB VAL A 30 8.263 9.179 1.824 1.00 4.52 H new ATOM 0 HG11 VAL A 30 9.105 10.950 3.311 1.00 43.42 H new ATOM 0 HG12 VAL A 30 8.176 9.723 4.205 1.00 43.42 H new ATOM 0 HG13 VAL A 30 9.953 9.724 4.284 1.00 43.42 H new ATOM 0 HG21 VAL A 30 10.375 10.322 1.286 1.00 3.31 H new ATOM 0 HG22 VAL A 30 11.275 9.071 2.176 1.00 3.31 H new ATOM 0 HG23 VAL A 30 10.369 8.640 0.706 1.00 3.31 H new ATOM 457 N TRP A 31 11.416 6.726 2.808 1.00 61.45 N ATOM 458 CA TRP A 31 12.722 6.376 3.355 1.00 43.55 C ATOM 459 C TRP A 31 13.835 6.733 2.376 1.00 44.25 C ATOM 460 O TRP A 31 13.686 6.568 1.165 1.00 74.05 O ATOM 461 CB TRP A 31 12.777 4.884 3.686 1.00 11.33 C ATOM 462 CG TRP A 31 13.734 4.556 4.792 1.00 42.22 C ATOM 463 CD1 TRP A 31 13.495 4.638 6.134 1.00 63.20 C ATOM 464 CD2 TRP A 31 15.083 4.097 4.649 1.00 34.45 C ATOM 465 NE1 TRP A 31 14.614 4.256 6.835 1.00 41.54 N ATOM 466 CE2 TRP A 31 15.601 3.919 5.947 1.00 24.01 C ATOM 467 CE3 TRP A 31 15.902 3.816 3.553 1.00 74.24 C ATOM 468 CZ2 TRP A 31 16.901 3.475 6.174 1.00 22.14 C ATOM 469 CZ3 TRP A 31 17.192 3.375 3.780 1.00 54.51 C ATOM 470 CH2 TRP A 31 17.681 3.208 5.082 1.00 20.31 C ATOM 0 H TRP A 31 11.328 6.583 1.802 1.00 61.45 H new ATOM 0 HA TRP A 31 12.870 6.949 4.270 1.00 43.55 H new ATOM 0 HB2 TRP A 31 11.780 4.544 3.965 1.00 11.33 H new ATOM 0 HB3 TRP A 31 13.063 4.331 2.791 1.00 11.33 H new ATOM 0 HD1 TRP A 31 12.564 4.956 6.579 1.00 63.20 H new ATOM 0 HE1 TRP A 31 14.696 4.228 7.851 1.00 41.54 H new ATOM 0 HE3 TRP A 31 15.534 3.941 2.546 1.00 74.24 H new ATOM 0 HZ2 TRP A 31 17.280 3.346 7.177 1.00 22.14 H new ATOM 0 HZ3 TRP A 31 17.834 3.155 2.940 1.00 54.51 H new ATOM 0 HH2 TRP A 31 18.694 2.862 5.227 1.00 20.31 H new ATOM 481 N ILE A 32 14.951 7.222 2.907 1.00 14.40 N ATOM 482 CA ILE A 32 16.089 7.601 2.079 1.00 71.31 C ATOM 483 C ILE A 32 17.319 6.768 2.422 1.00 62.43 C ATOM 484 O ILE A 32 17.559 6.445 3.585 1.00 53.31 O ATOM 485 CB ILE A 32 16.432 9.093 2.241 1.00 10.34 C ATOM 486 CG1 ILE A 32 15.265 9.962 1.768 1.00 72.25 C ATOM 487 CG2 ILE A 32 17.699 9.433 1.471 1.00 71.55 C ATOM 488 CD1 ILE A 32 15.044 9.914 0.272 1.00 64.12 C ATOM 0 H ILE A 32 15.091 7.365 3.907 1.00 14.40 H new ATOM 0 HA ILE A 32 15.802 7.414 1.044 1.00 71.31 H new ATOM 0 HB ILE A 32 16.607 9.297 3.297 1.00 10.34 H new ATOM 0 HG12 ILE A 32 14.354 9.639 2.272 1.00 72.25 H new ATOM 0 HG13 ILE A 32 15.446 10.994 2.068 1.00 72.25 H new ATOM 0 HG21 ILE A 32 17.928 10.491 1.596 1.00 71.55 H new ATOM 0 HG22 ILE A 32 18.527 8.835 1.851 1.00 71.55 H new ATOM 0 HG23 ILE A 32 17.551 9.216 0.413 1.00 71.55 H new ATOM 0 HD11 ILE A 32 14.201 10.553 0.008 1.00 64.12 H new ATOM 0 HD12 ILE A 32 15.940 10.265 -0.240 1.00 64.12 H new ATOM 0 HD13 ILE A 32 14.831 8.889 -0.032 1.00 64.12 H new ATOM 500 N ALA A 33 18.097 6.423 1.401 1.00 43.53 N ATOM 501 CA ALA A 33 19.305 5.631 1.594 1.00 5.31 C ATOM 502 C ALA A 33 20.556 6.490 1.436 1.00 71.40 C ATOM 503 O ALA A 33 20.936 6.850 0.322 1.00 51.21 O ATOM 504 CB ALA A 33 19.335 4.467 0.615 1.00 22.44 C ATOM 0 H ALA A 33 17.912 6.680 0.431 1.00 43.53 H new ATOM 0 HA ALA A 33 19.293 5.237 2.610 1.00 5.31 H new ATOM 0 HB1 ALA A 33 20.243 3.884 0.771 1.00 22.44 H new ATOM 0 HB2 ALA A 33 18.464 3.832 0.778 1.00 22.44 H new ATOM 0 HB3 ALA A 33 19.320 4.849 -0.406 1.00 22.44 H new ATOM 510 N ARG A 34 21.191 6.814 2.557 1.00 20.14 N ATOM 511 CA ARG A 34 22.398 7.632 2.543 1.00 72.21 C ATOM 512 C ARG A 34 23.613 6.801 2.141 1.00 30.13 C ATOM 513 O ARG A 34 24.564 7.317 1.557 1.00 43.04 O ATOM 514 CB ARG A 34 22.629 8.262 3.918 1.00 61.15 C ATOM 515 CG ARG A 34 22.965 7.251 5.002 1.00 11.30 C ATOM 516 CD ARG A 34 22.484 7.718 6.367 1.00 42.40 C ATOM 517 NE ARG A 34 23.576 8.244 7.182 1.00 44.15 N ATOM 518 CZ ARG A 34 24.428 7.477 7.853 1.00 34.32 C ATOM 519 NH1 ARG A 34 24.313 6.157 7.807 1.00 24.50 N ATOM 520 NH2 ARG A 34 25.396 8.030 8.572 1.00 32.45 N ATOM 0 H ARG A 34 20.890 6.523 3.487 1.00 20.14 H new ATOM 0 HA ARG A 34 22.262 8.424 1.807 1.00 72.21 H new ATOM 0 HB2 ARG A 34 23.440 8.987 3.845 1.00 61.15 H new ATOM 0 HB3 ARG A 34 21.735 8.813 4.211 1.00 61.15 H new ATOM 0 HG2 ARG A 34 22.506 6.292 4.762 1.00 11.30 H new ATOM 0 HG3 ARG A 34 24.043 7.090 5.030 1.00 11.30 H new ATOM 0 HD2 ARG A 34 21.724 8.488 6.239 1.00 42.40 H new ATOM 0 HD3 ARG A 34 22.011 6.886 6.889 1.00 42.40 H new ATOM 0 HE ARG A 34 23.691 9.256 7.239 1.00 44.15 H new ATOM 0 HH11 ARG A 34 23.569 5.729 7.256 1.00 24.50 H new ATOM 0 HH12 ARG A 34 24.968 5.570 8.323 1.00 24.50 H new ATOM 0 HH21 ARG A 34 25.487 9.045 8.610 1.00 32.45 H new ATOM 0 HH22 ARG A 34 26.050 7.440 9.087 1.00 32.45 H new ATOM 534 N ASN A 35 23.573 5.511 2.460 1.00 1.33 N ATOM 535 CA ASN A 35 24.671 4.609 2.134 1.00 64.11 C ATOM 536 C ASN A 35 25.107 4.785 0.682 1.00 2.25 C ATOM 537 O ASN A 35 26.252 5.130 0.390 1.00 42.43 O ATOM 538 CB ASN A 35 24.257 3.157 2.381 1.00 74.03 C ATOM 539 CG ASN A 35 24.831 2.603 3.670 1.00 23.30 C ATOM 540 OD1 ASN A 35 24.776 3.250 4.716 1.00 33.50 O ATOM 541 ND2 ASN A 35 25.388 1.399 3.600 1.00 32.02 N ATOM 0 H ASN A 35 22.792 5.067 2.944 1.00 1.33 H new ATOM 0 HA ASN A 35 25.514 4.854 2.780 1.00 64.11 H new ATOM 0 HB2 ASN A 35 23.169 3.093 2.414 1.00 74.03 H new ATOM 0 HB3 ASN A 35 24.588 2.541 1.545 1.00 74.03 H new ATOM 0 HD21 ASN A 35 25.792 0.975 4.435 1.00 32.02 H new ATOM 0 HD22 ASN A 35 25.411 0.899 2.711 1.00 32.02 H new ATOM 548 N PRO A 36 24.173 4.544 -0.249 1.00 62.43 N ATOM 549 CA PRO A 36 24.437 4.670 -1.686 1.00 13.32 C ATOM 550 C PRO A 36 24.629 6.121 -2.114 1.00 52.11 C ATOM 551 O PRO A 36 24.389 7.056 -1.350 1.00 1.11 O ATOM 552 CB PRO A 36 23.178 4.085 -2.330 1.00 71.43 C ATOM 553 CG PRO A 36 22.110 4.265 -1.308 1.00 32.35 C ATOM 554 CD PRO A 36 22.788 4.129 0.028 1.00 72.53 C ATOM 0 HA PRO A 36 25.357 4.163 -1.978 1.00 13.32 H new ATOM 0 HB2 PRO A 36 22.930 4.603 -3.257 1.00 71.43 H new ATOM 0 HB3 PRO A 36 23.314 3.033 -2.580 1.00 71.43 H new ATOM 0 HG2 PRO A 36 21.635 5.241 -1.407 1.00 32.35 H new ATOM 0 HG3 PRO A 36 21.327 3.516 -1.426 1.00 32.35 H new ATOM 0 HD2 PRO A 36 22.322 4.763 0.782 1.00 72.53 H new ATOM 0 HD3 PRO A 36 22.742 3.105 0.400 1.00 72.53 H new ATOM 562 N PRO A 37 25.071 6.316 -3.365 1.00 62.13 N ATOM 563 CA PRO A 37 25.304 7.651 -3.924 1.00 2.24 C ATOM 564 C PRO A 37 24.006 8.416 -4.159 1.00 71.40 C ATOM 565 O PRO A 37 23.967 9.641 -4.052 1.00 65.44 O ATOM 566 CB PRO A 37 26.003 7.362 -5.254 1.00 43.23 C ATOM 567 CG PRO A 37 25.557 5.990 -5.627 1.00 2.45 C ATOM 568 CD PRO A 37 25.378 5.248 -4.331 1.00 74.34 C ATOM 0 HA PRO A 37 25.885 8.279 -3.249 1.00 2.24 H new ATOM 0 HB2 PRO A 37 25.722 8.090 -6.015 1.00 43.23 H new ATOM 0 HB3 PRO A 37 27.087 7.411 -5.150 1.00 43.23 H new ATOM 0 HG2 PRO A 37 24.625 6.022 -6.191 1.00 2.45 H new ATOM 0 HG3 PRO A 37 26.295 5.498 -6.260 1.00 2.45 H new ATOM 0 HD2 PRO A 37 24.570 4.519 -4.394 1.00 74.34 H new ATOM 0 HD3 PRO A 37 26.279 4.702 -4.053 1.00 74.34 H new ATOM 576 N GLY A 38 22.943 7.684 -4.480 1.00 21.24 N ATOM 577 CA GLY A 38 21.657 8.311 -4.725 1.00 23.44 C ATOM 578 C GLY A 38 20.541 7.299 -4.889 1.00 70.54 C ATOM 579 O GLY A 38 20.148 6.973 -6.010 1.00 43.41 O ATOM 0 H GLY A 38 22.950 6.668 -4.575 1.00 21.24 H new ATOM 0 HA2 GLY A 38 21.419 8.979 -3.898 1.00 23.44 H new ATOM 0 HA3 GLY A 38 21.721 8.926 -5.623 1.00 23.44 H new ATOM 583 N PHE A 39 20.029 6.797 -3.770 1.00 51.32 N ATOM 584 CA PHE A 39 18.953 5.814 -3.795 1.00 74.34 C ATOM 585 C PHE A 39 18.037 5.978 -2.585 1.00 65.34 C ATOM 586 O PHE A 39 18.498 6.259 -1.479 1.00 72.33 O ATOM 587 CB PHE A 39 19.529 4.397 -3.825 1.00 33.50 C ATOM 588 CG PHE A 39 19.884 3.923 -5.205 1.00 63.32 C ATOM 589 CD1 PHE A 39 18.894 3.651 -6.135 1.00 70.03 C ATOM 590 CD2 PHE A 39 21.209 3.748 -5.572 1.00 50.42 C ATOM 591 CE1 PHE A 39 19.218 3.215 -7.406 1.00 52.14 C ATOM 592 CE2 PHE A 39 21.539 3.313 -6.842 1.00 12.21 C ATOM 593 CZ PHE A 39 20.542 3.045 -7.760 1.00 0.03 C ATOM 0 H PHE A 39 20.342 7.055 -2.834 1.00 51.32 H new ATOM 0 HA PHE A 39 18.365 5.979 -4.698 1.00 74.34 H new ATOM 0 HB2 PHE A 39 20.419 4.362 -3.197 1.00 33.50 H new ATOM 0 HB3 PHE A 39 18.804 3.710 -3.389 1.00 33.50 H new ATOM 0 HD1 PHE A 39 17.857 3.781 -5.864 1.00 70.03 H new ATOM 0 HD2 PHE A 39 21.993 3.954 -4.858 1.00 50.42 H new ATOM 0 HE1 PHE A 39 18.436 3.007 -8.122 1.00 52.14 H new ATOM 0 HE2 PHE A 39 22.575 3.183 -7.116 1.00 12.21 H new ATOM 0 HZ PHE A 39 20.797 2.703 -8.752 1.00 0.03 H new ATOM 603 N ALA A 40 16.739 5.800 -2.805 1.00 12.51 N ATOM 604 CA ALA A 40 15.759 5.927 -1.733 1.00 53.15 C ATOM 605 C ALA A 40 14.619 4.930 -1.911 1.00 72.15 C ATOM 606 O ALA A 40 14.325 4.500 -3.027 1.00 42.12 O ATOM 607 CB ALA A 40 15.216 7.348 -1.680 1.00 22.44 C ATOM 0 H ALA A 40 16.341 5.568 -3.715 1.00 12.51 H new ATOM 0 HA ALA A 40 16.258 5.705 -0.790 1.00 53.15 H new ATOM 0 HB1 ALA A 40 14.485 7.429 -0.875 1.00 22.44 H new ATOM 0 HB2 ALA A 40 16.035 8.044 -1.498 1.00 22.44 H new ATOM 0 HB3 ALA A 40 14.738 7.591 -2.629 1.00 22.44 H new ATOM 613 N PHE A 41 13.980 4.565 -0.805 1.00 30.12 N ATOM 614 CA PHE A 41 12.873 3.616 -0.839 1.00 11.42 C ATOM 615 C PHE A 41 11.615 4.227 -0.228 1.00 31.32 C ATOM 616 O PHE A 41 11.688 5.015 0.715 1.00 24.10 O ATOM 617 CB PHE A 41 13.248 2.336 -0.090 1.00 35.21 C ATOM 618 CG PHE A 41 12.111 1.363 0.040 1.00 72.45 C ATOM 619 CD1 PHE A 41 11.213 1.462 1.090 1.00 32.21 C ATOM 620 CD2 PHE A 41 11.940 0.349 -0.890 1.00 12.14 C ATOM 621 CE1 PHE A 41 10.166 0.567 1.212 1.00 44.12 C ATOM 622 CE2 PHE A 41 10.895 -0.548 -0.773 1.00 71.33 C ATOM 623 CZ PHE A 41 10.007 -0.438 0.278 1.00 34.44 C ATOM 0 H PHE A 41 14.210 4.912 0.126 1.00 30.12 H new ATOM 0 HA PHE A 41 12.668 3.371 -1.881 1.00 11.42 H new ATOM 0 HB2 PHE A 41 14.074 1.850 -0.609 1.00 35.21 H new ATOM 0 HB3 PHE A 41 13.607 2.599 0.905 1.00 35.21 H new ATOM 0 HD1 PHE A 41 11.332 2.247 1.822 1.00 32.21 H new ATOM 0 HD2 PHE A 41 12.631 0.259 -1.715 1.00 12.14 H new ATOM 0 HE1 PHE A 41 9.474 0.654 2.036 1.00 44.12 H new ATOM 0 HE2 PHE A 41 10.773 -1.334 -1.503 1.00 71.33 H new ATOM 0 HZ PHE A 41 9.189 -1.137 0.370 1.00 34.44 H new ATOM 633 N VAL A 42 10.460 3.857 -0.773 1.00 22.22 N ATOM 634 CA VAL A 42 9.185 4.366 -0.282 1.00 43.52 C ATOM 635 C VAL A 42 8.139 3.260 -0.219 1.00 32.34 C ATOM 636 O VAL A 42 8.125 2.357 -1.055 1.00 22.25 O ATOM 637 CB VAL A 42 8.657 5.507 -1.172 1.00 51.03 C ATOM 638 CG1 VAL A 42 7.264 5.929 -0.729 1.00 44.11 C ATOM 639 CG2 VAL A 42 9.614 6.689 -1.148 1.00 24.24 C ATOM 0 H VAL A 42 10.381 3.207 -1.555 1.00 22.22 H new ATOM 0 HA VAL A 42 9.363 4.750 0.722 1.00 43.52 H new ATOM 0 HB VAL A 42 8.592 5.143 -2.197 1.00 51.03 H new ATOM 0 HG11 VAL A 42 6.907 6.736 -1.369 1.00 44.11 H new ATOM 0 HG12 VAL A 42 6.585 5.079 -0.804 1.00 44.11 H new ATOM 0 HG13 VAL A 42 7.300 6.275 0.304 1.00 44.11 H new ATOM 0 HG21 VAL A 42 9.225 7.485 -1.782 1.00 24.24 H new ATOM 0 HG22 VAL A 42 9.714 7.055 -0.126 1.00 24.24 H new ATOM 0 HG23 VAL A 42 10.590 6.375 -1.518 1.00 24.24 H new ATOM 649 N GLU A 43 7.263 3.337 0.779 1.00 42.13 N ATOM 650 CA GLU A 43 6.213 2.341 0.951 1.00 34.30 C ATOM 651 C GLU A 43 4.838 2.947 0.681 1.00 24.23 C ATOM 652 O GLU A 43 4.463 3.953 1.283 1.00 55.23 O ATOM 653 CB GLU A 43 6.257 1.760 2.366 1.00 61.31 C ATOM 654 CG GLU A 43 5.401 0.517 2.541 1.00 62.54 C ATOM 655 CD GLU A 43 5.938 -0.416 3.609 1.00 64.35 C ATOM 656 OE1 GLU A 43 6.340 0.080 4.682 1.00 52.42 O ATOM 657 OE2 GLU A 43 5.958 -1.642 3.371 1.00 32.13 O ATOM 0 H GLU A 43 7.260 4.078 1.480 1.00 42.13 H new ATOM 0 HA GLU A 43 6.386 1.541 0.232 1.00 34.30 H new ATOM 0 HB2 GLU A 43 7.289 1.518 2.618 1.00 61.31 H new ATOM 0 HB3 GLU A 43 5.926 2.521 3.073 1.00 61.31 H new ATOM 0 HG2 GLU A 43 4.385 0.814 2.801 1.00 62.54 H new ATOM 0 HG3 GLU A 43 5.344 -0.017 1.592 1.00 62.54 H new ATOM 664 N PHE A 44 4.093 2.327 -0.228 1.00 0.03 N ATOM 665 CA PHE A 44 2.761 2.805 -0.579 1.00 40.32 C ATOM 666 C PHE A 44 1.684 1.904 0.018 1.00 3.11 C ATOM 667 O PHE A 44 1.623 0.712 -0.281 1.00 12.11 O ATOM 668 CB PHE A 44 2.603 2.868 -2.100 1.00 4.32 C ATOM 669 CG PHE A 44 2.387 4.260 -2.623 1.00 62.50 C ATOM 670 CD1 PHE A 44 1.390 5.064 -2.097 1.00 15.40 C ATOM 671 CD2 PHE A 44 3.182 4.763 -3.640 1.00 71.44 C ATOM 672 CE1 PHE A 44 1.188 6.345 -2.577 1.00 61.42 C ATOM 673 CE2 PHE A 44 2.985 6.042 -4.124 1.00 43.34 C ATOM 674 CZ PHE A 44 1.988 6.835 -3.591 1.00 73.43 C ATOM 0 H PHE A 44 4.389 1.493 -0.735 1.00 0.03 H new ATOM 0 HA PHE A 44 2.642 3.807 -0.166 1.00 40.32 H new ATOM 0 HB2 PHE A 44 3.493 2.447 -2.568 1.00 4.32 H new ATOM 0 HB3 PHE A 44 1.761 2.242 -2.396 1.00 4.32 H new ATOM 0 HD1 PHE A 44 0.763 4.686 -1.303 1.00 15.40 H new ATOM 0 HD2 PHE A 44 3.965 4.148 -4.059 1.00 71.44 H new ATOM 0 HE1 PHE A 44 0.406 6.962 -2.160 1.00 61.42 H new ATOM 0 HE2 PHE A 44 3.610 6.421 -4.919 1.00 43.34 H new ATOM 0 HZ PHE A 44 1.834 7.836 -3.966 1.00 73.43 H new ATOM 684 N GLU A 45 0.838 2.483 0.864 1.00 4.53 N ATOM 685 CA GLU A 45 -0.235 1.732 1.505 1.00 42.32 C ATOM 686 C GLU A 45 -1.032 0.937 0.475 1.00 52.31 C ATOM 687 O GLU A 45 -1.511 -0.161 0.758 1.00 62.11 O ATOM 688 CB GLU A 45 -1.165 2.678 2.267 1.00 53.43 C ATOM 689 CG GLU A 45 -1.795 2.051 3.499 1.00 51.01 C ATOM 690 CD GLU A 45 -2.924 2.889 4.068 1.00 61.42 C ATOM 691 OE1 GLU A 45 -2.634 3.929 4.694 1.00 40.54 O ATOM 692 OE2 GLU A 45 -4.098 2.503 3.887 1.00 63.55 O ATOM 0 H GLU A 45 0.875 3.469 1.121 1.00 4.53 H new ATOM 0 HA GLU A 45 0.215 1.033 2.209 1.00 42.32 H new ATOM 0 HB2 GLU A 45 -0.603 3.563 2.567 1.00 53.43 H new ATOM 0 HB3 GLU A 45 -1.956 3.015 1.596 1.00 53.43 H new ATOM 0 HG2 GLU A 45 -2.175 1.061 3.245 1.00 51.01 H new ATOM 0 HG3 GLU A 45 -1.030 1.912 4.263 1.00 51.01 H new ATOM 699 N ASP A 46 -1.171 1.501 -0.720 1.00 61.42 N ATOM 700 CA ASP A 46 -1.910 0.845 -1.793 1.00 44.23 C ATOM 701 C ASP A 46 -1.062 0.753 -3.059 1.00 15.24 C ATOM 702 O ASP A 46 -0.211 1.601 -3.328 1.00 74.04 O ATOM 703 CB ASP A 46 -3.205 1.603 -2.086 1.00 54.11 C ATOM 704 CG ASP A 46 -4.440 0.795 -1.737 1.00 40.42 C ATOM 705 OD1 ASP A 46 -4.363 -0.034 -0.806 1.00 73.04 O ATOM 706 OD2 ASP A 46 -5.483 0.993 -2.394 1.00 52.41 O ATOM 0 H ASP A 46 -0.782 2.410 -0.970 1.00 61.42 H new ATOM 0 HA ASP A 46 -2.156 -0.166 -1.467 1.00 44.23 H new ATOM 0 HB2 ASP A 46 -3.213 2.535 -1.521 1.00 54.11 H new ATOM 0 HB3 ASP A 46 -3.235 1.870 -3.142 1.00 54.11 H new ATOM 711 N PRO A 47 -1.299 -0.301 -3.854 1.00 4.12 N ATOM 712 CA PRO A 47 -0.567 -0.529 -5.104 1.00 31.25 C ATOM 713 C PRO A 47 -0.928 0.488 -6.180 1.00 42.35 C ATOM 714 O PRO A 47 -0.051 1.039 -6.846 1.00 64.22 O ATOM 715 CB PRO A 47 -1.012 -1.933 -5.523 1.00 43.53 C ATOM 716 CG PRO A 47 -2.348 -2.112 -4.890 1.00 53.34 C ATOM 717 CD PRO A 47 -2.298 -1.351 -3.594 1.00 52.45 C ATOM 0 HA PRO A 47 0.510 -0.430 -4.970 1.00 31.25 H new ATOM 0 HB2 PRO A 47 -1.073 -2.022 -6.608 1.00 43.53 H new ATOM 0 HB3 PRO A 47 -0.307 -2.690 -5.180 1.00 43.53 H new ATOM 0 HG2 PRO A 47 -3.140 -1.732 -5.535 1.00 53.34 H new ATOM 0 HG3 PRO A 47 -2.559 -3.167 -4.715 1.00 53.34 H new ATOM 0 HD2 PRO A 47 -3.269 -0.927 -3.339 1.00 52.45 H new ATOM 0 HD3 PRO A 47 -2.001 -1.991 -2.763 1.00 52.45 H new ATOM 725 N ARG A 48 -2.223 0.734 -6.346 1.00 74.31 N ATOM 726 CA ARG A 48 -2.699 1.685 -7.343 1.00 74.12 C ATOM 727 C ARG A 48 -1.954 3.012 -7.228 1.00 75.42 C ATOM 728 O ARG A 48 -1.494 3.565 -8.227 1.00 22.12 O ATOM 729 CB ARG A 48 -4.203 1.916 -7.181 1.00 41.24 C ATOM 730 CG ARG A 48 -4.747 3.026 -8.066 1.00 71.10 C ATOM 731 CD ARG A 48 -6.256 3.159 -7.928 1.00 44.03 C ATOM 732 NE ARG A 48 -6.658 3.431 -6.551 1.00 24.11 N ATOM 733 CZ ARG A 48 -7.887 3.792 -6.202 1.00 14.01 C ATOM 734 NH1 ARG A 48 -8.830 3.923 -7.125 1.00 13.43 N ATOM 735 NH2 ARG A 48 -8.176 4.022 -4.927 1.00 71.04 N ATOM 0 H ARG A 48 -2.962 0.288 -5.803 1.00 74.31 H new ATOM 0 HA ARG A 48 -2.507 1.265 -8.330 1.00 74.12 H new ATOM 0 HB2 ARG A 48 -4.731 0.990 -7.408 1.00 41.24 H new ATOM 0 HB3 ARG A 48 -4.415 2.156 -6.139 1.00 41.24 H new ATOM 0 HG2 ARG A 48 -4.272 3.970 -7.801 1.00 71.10 H new ATOM 0 HG3 ARG A 48 -4.492 2.822 -9.106 1.00 71.10 H new ATOM 0 HD2 ARG A 48 -6.610 3.962 -8.574 1.00 44.03 H new ATOM 0 HD3 ARG A 48 -6.734 2.241 -8.270 1.00 44.03 H new ATOM 0 HE ARG A 48 -5.956 3.339 -5.817 1.00 24.11 H new ATOM 0 HH11 ARG A 48 -8.612 3.746 -8.106 1.00 13.43 H new ATOM 0 HH12 ARG A 48 -9.773 4.200 -6.854 1.00 13.43 H new ATOM 0 HH21 ARG A 48 -7.453 3.921 -4.214 1.00 71.04 H new ATOM 0 HH22 ARG A 48 -9.121 4.299 -4.660 1.00 71.04 H new ATOM 749 N ASP A 49 -1.841 3.516 -6.005 1.00 1.15 N ATOM 750 CA ASP A 49 -1.152 4.777 -5.758 1.00 43.55 C ATOM 751 C ASP A 49 0.300 4.703 -6.222 1.00 53.23 C ATOM 752 O ASP A 49 0.854 5.684 -6.718 1.00 21.41 O ATOM 753 CB ASP A 49 -1.207 5.132 -4.272 1.00 15.13 C ATOM 754 CG ASP A 49 -2.603 4.992 -3.695 1.00 25.30 C ATOM 755 OD1 ASP A 49 -3.579 5.204 -4.445 1.00 21.35 O ATOM 756 OD2 ASP A 49 -2.718 4.669 -2.494 1.00 41.03 O ATOM 0 H ASP A 49 -2.218 3.071 -5.168 1.00 1.15 H new ATOM 0 HA ASP A 49 -1.658 5.556 -6.328 1.00 43.55 H new ATOM 0 HB2 ASP A 49 -0.523 4.486 -3.721 1.00 15.13 H new ATOM 0 HB3 ASP A 49 -0.860 6.156 -4.133 1.00 15.13 H new ATOM 761 N ALA A 50 0.909 3.534 -6.057 1.00 23.13 N ATOM 762 CA ALA A 50 2.296 3.331 -6.459 1.00 54.52 C ATOM 763 C ALA A 50 2.418 3.234 -7.976 1.00 43.10 C ATOM 764 O ALA A 50 3.356 3.768 -8.567 1.00 1.20 O ATOM 765 CB ALA A 50 2.859 2.081 -5.801 1.00 30.22 C ATOM 0 H ALA A 50 0.464 2.713 -5.648 1.00 23.13 H new ATOM 0 HA ALA A 50 2.875 4.193 -6.128 1.00 54.52 H new ATOM 0 HB1 ALA A 50 3.895 1.942 -6.110 1.00 30.22 H new ATOM 0 HB2 ALA A 50 2.815 2.189 -4.717 1.00 30.22 H new ATOM 0 HB3 ALA A 50 2.271 1.214 -6.103 1.00 30.22 H new ATOM 771 N GLU A 51 1.465 2.548 -8.599 1.00 42.35 N ATOM 772 CA GLU A 51 1.469 2.380 -10.048 1.00 0.41 C ATOM 773 C GLU A 51 1.379 3.731 -10.752 1.00 51.14 C ATOM 774 O GLU A 51 2.111 3.996 -11.706 1.00 70.22 O ATOM 775 CB GLU A 51 0.305 1.487 -10.483 1.00 44.22 C ATOM 776 CG GLU A 51 0.745 0.215 -11.188 1.00 42.35 C ATOM 777 CD GLU A 51 -0.163 -0.961 -10.890 1.00 35.41 C ATOM 778 OE1 GLU A 51 -1.338 -0.925 -11.313 1.00 31.32 O ATOM 779 OE2 GLU A 51 0.299 -1.918 -10.234 1.00 3.53 O ATOM 0 H GLU A 51 0.681 2.100 -8.124 1.00 42.35 H new ATOM 0 HA GLU A 51 2.408 1.904 -10.331 1.00 0.41 H new ATOM 0 HB2 GLU A 51 -0.285 1.221 -9.606 1.00 44.22 H new ATOM 0 HB3 GLU A 51 -0.348 2.053 -11.147 1.00 44.22 H new ATOM 0 HG2 GLU A 51 0.766 0.389 -12.264 1.00 42.35 H new ATOM 0 HG3 GLU A 51 1.763 -0.031 -10.885 1.00 42.35 H new ATOM 786 N ASP A 52 0.476 4.581 -10.276 1.00 32.10 N ATOM 787 CA ASP A 52 0.289 5.905 -10.859 1.00 22.42 C ATOM 788 C ASP A 52 1.452 6.825 -10.501 1.00 63.43 C ATOM 789 O ASP A 52 1.960 7.558 -11.349 1.00 54.22 O ATOM 790 CB ASP A 52 -1.028 6.516 -10.378 1.00 5.13 C ATOM 791 CG ASP A 52 -1.518 7.625 -11.288 1.00 61.31 C ATOM 792 OD1 ASP A 52 -0.763 8.598 -11.498 1.00 73.45 O ATOM 793 OD2 ASP A 52 -2.656 7.519 -11.791 1.00 42.11 O ATOM 0 H ASP A 52 -0.138 4.377 -9.488 1.00 32.10 H new ATOM 0 HA ASP A 52 0.255 5.797 -11.943 1.00 22.42 H new ATOM 0 HB2 ASP A 52 -1.787 5.736 -10.319 1.00 5.13 H new ATOM 0 HB3 ASP A 52 -0.896 6.909 -9.370 1.00 5.13 H new ATOM 798 N ALA A 53 1.869 6.781 -9.240 1.00 70.51 N ATOM 799 CA ALA A 53 2.972 7.609 -8.771 1.00 5.23 C ATOM 800 C ALA A 53 4.256 7.297 -9.532 1.00 61.23 C ATOM 801 O ALA A 53 4.943 8.201 -10.009 1.00 30.34 O ATOM 802 CB ALA A 53 3.182 7.412 -7.277 1.00 12.44 C ATOM 0 H ALA A 53 1.459 6.180 -8.525 1.00 70.51 H new ATOM 0 HA ALA A 53 2.714 8.652 -8.957 1.00 5.23 H new ATOM 0 HB1 ALA A 53 4.009 8.037 -6.940 1.00 12.44 H new ATOM 0 HB2 ALA A 53 2.275 7.692 -6.742 1.00 12.44 H new ATOM 0 HB3 ALA A 53 3.413 6.366 -7.077 1.00 12.44 H new ATOM 808 N VAL A 54 4.575 6.011 -9.643 1.00 42.11 N ATOM 809 CA VAL A 54 5.777 5.580 -10.347 1.00 73.53 C ATOM 810 C VAL A 54 5.672 5.869 -11.840 1.00 45.34 C ATOM 811 O VAL A 54 6.537 6.529 -12.417 1.00 4.12 O ATOM 812 CB VAL A 54 6.036 4.075 -10.144 1.00 61.14 C ATOM 813 CG1 VAL A 54 7.240 3.626 -10.959 1.00 30.04 C ATOM 814 CG2 VAL A 54 6.234 3.763 -8.669 1.00 11.03 C ATOM 0 H VAL A 54 4.018 5.250 -9.255 1.00 42.11 H new ATOM 0 HA VAL A 54 6.610 6.145 -9.928 1.00 73.53 H new ATOM 0 HB VAL A 54 5.164 3.523 -10.494 1.00 61.14 H new ATOM 0 HG11 VAL A 54 7.408 2.560 -10.803 1.00 30.04 H new ATOM 0 HG12 VAL A 54 7.054 3.813 -12.017 1.00 30.04 H new ATOM 0 HG13 VAL A 54 8.122 4.182 -10.642 1.00 30.04 H new ATOM 0 HG21 VAL A 54 6.416 2.696 -8.544 1.00 11.03 H new ATOM 0 HG22 VAL A 54 7.089 4.323 -8.290 1.00 11.03 H new ATOM 0 HG23 VAL A 54 5.340 4.046 -8.114 1.00 11.03 H new ATOM 824 N ARG A 55 4.608 5.372 -12.461 1.00 53.12 N ATOM 825 CA ARG A 55 4.390 5.577 -13.888 1.00 44.02 C ATOM 826 C ARG A 55 4.488 7.057 -14.246 1.00 4.20 C ATOM 827 O ARG A 55 5.013 7.418 -15.298 1.00 50.55 O ATOM 828 CB ARG A 55 3.022 5.031 -14.301 1.00 3.11 C ATOM 829 CG ARG A 55 2.983 3.517 -14.425 1.00 30.32 C ATOM 830 CD ARG A 55 1.557 3.005 -14.553 1.00 13.13 C ATOM 831 NE ARG A 55 1.059 3.107 -15.922 1.00 43.21 N ATOM 832 CZ ARG A 55 -0.169 2.756 -16.286 1.00 62.50 C ATOM 833 NH1 ARG A 55 -1.020 2.282 -15.387 1.00 32.32 N ATOM 834 NH2 ARG A 55 -0.548 2.878 -17.552 1.00 23.02 N ATOM 0 H ARG A 55 3.883 4.824 -11.998 1.00 53.12 H new ATOM 0 HA ARG A 55 5.167 5.037 -14.429 1.00 44.02 H new ATOM 0 HB2 ARG A 55 2.278 5.346 -13.569 1.00 3.11 H new ATOM 0 HB3 ARG A 55 2.737 5.473 -15.256 1.00 3.11 H new ATOM 0 HG2 ARG A 55 3.561 3.207 -15.295 1.00 30.32 H new ATOM 0 HG3 ARG A 55 3.455 3.067 -13.552 1.00 30.32 H new ATOM 0 HD2 ARG A 55 1.515 1.965 -14.229 1.00 13.13 H new ATOM 0 HD3 ARG A 55 0.907 3.573 -13.888 1.00 13.13 H new ATOM 0 HE ARG A 55 1.689 3.468 -16.638 1.00 43.21 H new ATOM 0 HH11 ARG A 55 -0.732 2.186 -14.413 1.00 32.32 H new ATOM 0 HH12 ARG A 55 -1.963 2.013 -15.669 1.00 32.32 H new ATOM 0 HH21 ARG A 55 0.104 3.242 -18.247 1.00 23.02 H new ATOM 0 HH22 ARG A 55 -1.491 2.608 -17.830 1.00 23.02 H new ATOM 848 N GLY A 56 3.979 7.910 -13.362 1.00 33.41 N ATOM 849 CA GLY A 56 4.018 9.340 -13.603 1.00 1.21 C ATOM 850 C GLY A 56 5.405 9.922 -13.413 1.00 13.22 C ATOM 851 O GLY A 56 5.941 10.575 -14.309 1.00 74.15 O ATOM 0 H GLY A 56 3.540 7.636 -12.483 1.00 33.41 H new ATOM 0 HA2 GLY A 56 3.678 9.544 -14.618 1.00 1.21 H new ATOM 0 HA3 GLY A 56 3.322 9.838 -12.928 1.00 1.21 H new ATOM 855 N LEU A 57 5.987 9.688 -12.242 1.00 64.22 N ATOM 856 CA LEU A 57 7.321 10.195 -11.936 1.00 55.00 C ATOM 857 C LEU A 57 8.336 9.717 -12.969 1.00 54.13 C ATOM 858 O LEU A 57 9.045 10.521 -13.575 1.00 23.52 O ATOM 859 CB LEU A 57 7.749 9.747 -10.538 1.00 24.12 C ATOM 860 CG LEU A 57 7.475 10.734 -9.403 1.00 2.31 C ATOM 861 CD1 LEU A 57 6.019 11.173 -9.417 1.00 42.13 C ATOM 862 CD2 LEU A 57 7.835 10.116 -8.060 1.00 13.24 C ATOM 0 H LEU A 57 5.557 9.151 -11.489 1.00 64.22 H new ATOM 0 HA LEU A 57 7.285 11.284 -11.967 1.00 55.00 H new ATOM 0 HB2 LEU A 57 7.242 8.810 -10.308 1.00 24.12 H new ATOM 0 HB3 LEU A 57 8.818 9.535 -10.558 1.00 24.12 H new ATOM 0 HG LEU A 57 8.100 11.614 -9.554 1.00 2.31 H new ATOM 0 HD11 LEU A 57 5.843 11.875 -8.602 1.00 42.13 H new ATOM 0 HD12 LEU A 57 5.794 11.656 -10.368 1.00 42.13 H new ATOM 0 HD13 LEU A 57 5.375 10.302 -9.291 1.00 42.13 H new ATOM 0 HD21 LEU A 57 7.633 10.833 -7.264 1.00 13.24 H new ATOM 0 HD22 LEU A 57 7.237 9.219 -7.900 1.00 13.24 H new ATOM 0 HD23 LEU A 57 8.893 9.853 -8.052 1.00 13.24 H new ATOM 874 N ASP A 58 8.398 8.405 -13.167 1.00 75.01 N ATOM 875 CA ASP A 58 9.323 7.820 -14.130 1.00 24.31 C ATOM 876 C ASP A 58 8.911 8.162 -15.558 1.00 54.20 C ATOM 877 O ASP A 58 9.754 8.450 -16.406 1.00 54.34 O ATOM 878 CB ASP A 58 9.384 6.302 -13.953 1.00 70.45 C ATOM 879 CG ASP A 58 10.128 5.617 -15.083 1.00 24.23 C ATOM 880 OD1 ASP A 58 11.316 5.941 -15.294 1.00 11.42 O ATOM 881 OD2 ASP A 58 9.524 4.756 -15.755 1.00 32.41 O ATOM 0 H ASP A 58 7.818 7.726 -12.673 1.00 75.01 H new ATOM 0 HA ASP A 58 10.312 8.240 -13.947 1.00 24.31 H new ATOM 0 HB2 ASP A 58 9.872 6.069 -13.007 1.00 70.45 H new ATOM 0 HB3 ASP A 58 8.371 5.905 -13.896 1.00 70.45 H new ATOM 886 N GLY A 59 7.607 8.127 -15.817 1.00 12.45 N ATOM 887 CA GLY A 59 7.105 8.435 -17.143 1.00 61.11 C ATOM 888 C GLY A 59 7.277 9.897 -17.503 1.00 41.15 C ATOM 889 O GLY A 59 7.194 10.270 -18.674 1.00 1.21 O ATOM 0 H GLY A 59 6.889 7.891 -15.132 1.00 12.45 H new ATOM 0 HA2 GLY A 59 7.625 7.820 -17.877 1.00 61.11 H new ATOM 0 HA3 GLY A 59 6.049 8.172 -17.198 1.00 61.11 H new ATOM 893 N LYS A 60 7.516 10.729 -16.495 1.00 40.14 N ATOM 894 CA LYS A 60 7.700 12.159 -16.710 1.00 52.54 C ATOM 895 C LYS A 60 8.362 12.811 -15.500 1.00 74.13 C ATOM 896 O LYS A 60 7.868 12.704 -14.378 1.00 13.24 O ATOM 897 CB LYS A 60 6.354 12.831 -16.992 1.00 32.11 C ATOM 898 CG LYS A 60 6.222 13.359 -18.410 1.00 23.00 C ATOM 899 CD LYS A 60 7.171 14.518 -18.664 1.00 2.35 C ATOM 900 CE LYS A 60 8.144 14.206 -19.791 1.00 13.24 C ATOM 901 NZ LYS A 60 7.598 14.601 -21.119 1.00 23.50 N ATOM 0 H LYS A 60 7.587 10.437 -15.520 1.00 40.14 H new ATOM 0 HA LYS A 60 8.352 12.290 -17.573 1.00 52.54 H new ATOM 0 HB2 LYS A 60 5.554 12.115 -16.804 1.00 32.11 H new ATOM 0 HB3 LYS A 60 6.215 13.655 -16.292 1.00 32.11 H new ATOM 0 HG2 LYS A 60 6.428 12.557 -19.119 1.00 23.00 H new ATOM 0 HG3 LYS A 60 5.196 13.683 -18.585 1.00 23.00 H new ATOM 0 HD2 LYS A 60 6.598 15.411 -18.914 1.00 2.35 H new ATOM 0 HD3 LYS A 60 7.727 14.741 -17.753 1.00 2.35 H new ATOM 0 HE2 LYS A 60 9.084 14.729 -19.615 1.00 13.24 H new ATOM 0 HE3 LYS A 60 8.368 13.139 -19.793 1.00 13.24 H new ATOM 0 HZ1 LYS A 60 8.290 14.372 -21.861 1.00 23.50 H new ATOM 0 HZ2 LYS A 60 6.714 14.083 -21.299 1.00 23.50 H new ATOM 0 HZ3 LYS A 60 7.408 15.623 -21.126 1.00 23.50 H new ATOM 915 N VAL A 61 9.481 13.487 -15.736 1.00 44.14 N ATOM 916 CA VAL A 61 10.209 14.158 -14.666 1.00 43.20 C ATOM 917 C VAL A 61 9.270 14.988 -13.799 1.00 15.04 C ATOM 918 O VAL A 61 8.232 15.459 -14.265 1.00 73.10 O ATOM 919 CB VAL A 61 11.315 15.073 -15.227 1.00 34.14 C ATOM 920 CG1 VAL A 61 12.176 14.318 -16.228 1.00 12.13 C ATOM 921 CG2 VAL A 61 10.707 16.314 -15.863 1.00 32.04 C ATOM 0 H VAL A 61 9.904 13.585 -16.659 1.00 44.14 H new ATOM 0 HA VAL A 61 10.667 13.378 -14.057 1.00 43.20 H new ATOM 0 HB VAL A 61 11.953 15.391 -14.402 1.00 34.14 H new ATOM 0 HG11 VAL A 61 12.951 14.980 -16.613 1.00 12.13 H new ATOM 0 HG12 VAL A 61 12.640 13.463 -15.737 1.00 12.13 H new ATOM 0 HG13 VAL A 61 11.554 13.969 -17.052 1.00 12.13 H new ATOM 0 HG21 VAL A 61 11.502 16.949 -16.254 1.00 32.04 H new ATOM 0 HG22 VAL A 61 10.045 16.019 -16.677 1.00 32.04 H new ATOM 0 HG23 VAL A 61 10.138 16.865 -15.114 1.00 32.04 H new ATOM 931 N ILE A 62 9.640 15.164 -12.535 1.00 23.42 N ATOM 932 CA ILE A 62 8.831 15.938 -11.602 1.00 51.34 C ATOM 933 C ILE A 62 9.579 17.178 -11.124 1.00 54.33 C ATOM 934 O ILE A 62 10.686 17.082 -10.595 1.00 25.02 O ATOM 935 CB ILE A 62 8.420 15.097 -10.380 1.00 24.24 C ATOM 936 CG1 ILE A 62 7.706 15.972 -9.348 1.00 31.14 C ATOM 937 CG2 ILE A 62 9.640 14.429 -9.762 1.00 42.23 C ATOM 938 CD1 ILE A 62 8.614 16.470 -8.245 1.00 42.13 C ATOM 0 H ILE A 62 10.496 14.781 -12.133 1.00 23.42 H new ATOM 0 HA ILE A 62 7.934 16.243 -12.140 1.00 51.34 H new ATOM 0 HB ILE A 62 7.731 14.319 -10.708 1.00 24.24 H new ATOM 0 HG12 ILE A 62 7.261 16.828 -9.855 1.00 31.14 H new ATOM 0 HG13 ILE A 62 6.888 15.403 -8.905 1.00 31.14 H new ATOM 0 HG21 ILE A 62 9.333 13.838 -8.899 1.00 42.23 H new ATOM 0 HG22 ILE A 62 10.111 13.778 -10.499 1.00 42.23 H new ATOM 0 HG23 ILE A 62 10.351 15.192 -9.445 1.00 42.23 H new ATOM 0 HD11 ILE A 62 8.040 17.083 -7.550 1.00 42.13 H new ATOM 0 HD12 ILE A 62 9.039 15.620 -7.712 1.00 42.13 H new ATOM 0 HD13 ILE A 62 9.418 17.066 -8.677 1.00 42.13 H new ATOM 950 N CYS A 63 8.965 18.341 -11.313 1.00 3.33 N ATOM 951 CA CYS A 63 9.572 19.602 -10.900 1.00 24.34 C ATOM 952 C CYS A 63 11.032 19.672 -11.338 1.00 34.31 C ATOM 953 O CYS A 63 11.896 20.118 -10.585 1.00 30.43 O ATOM 954 CB CYS A 63 9.475 19.766 -9.382 1.00 74.42 C ATOM 955 SG CYS A 63 9.069 21.444 -8.846 1.00 21.14 S ATOM 0 H CYS A 63 8.048 18.437 -11.749 1.00 3.33 H new ATOM 0 HA CYS A 63 9.027 20.414 -11.382 1.00 24.34 H new ATOM 0 HB2 CYS A 63 8.718 19.081 -9.001 1.00 74.42 H new ATOM 0 HB3 CYS A 63 10.424 19.473 -8.934 1.00 74.42 H new ATOM 0 HG CYS A 63 9.007 21.482 -7.548 1.00 21.14 H new ATOM 961 N GLY A 64 11.299 19.226 -12.562 1.00 14.11 N ATOM 962 CA GLY A 64 12.655 19.245 -13.079 1.00 15.11 C ATOM 963 C GLY A 64 13.537 18.197 -12.430 1.00 42.41 C ATOM 964 O GLY A 64 14.730 18.422 -12.223 1.00 54.22 O ATOM 0 H GLY A 64 10.601 18.852 -13.204 1.00 14.11 H new ATOM 0 HA2 GLY A 64 12.632 19.080 -14.156 1.00 15.11 H new ATOM 0 HA3 GLY A 64 13.089 20.232 -12.917 1.00 15.11 H new ATOM 968 N SER A 65 12.950 17.049 -12.107 1.00 4.54 N ATOM 969 CA SER A 65 13.690 15.965 -11.472 1.00 64.11 C ATOM 970 C SER A 65 13.511 14.661 -12.243 1.00 73.22 C ATOM 971 O SER A 65 12.471 14.008 -12.147 1.00 3.13 O ATOM 972 CB SER A 65 13.229 15.783 -10.025 1.00 31.31 C ATOM 973 OG SER A 65 12.997 17.034 -9.402 1.00 43.30 O ATOM 0 H SER A 65 11.965 16.846 -12.275 1.00 4.54 H new ATOM 0 HA SER A 65 14.748 16.228 -11.478 1.00 64.11 H new ATOM 0 HB2 SER A 65 12.316 15.188 -10.003 1.00 31.31 H new ATOM 0 HB3 SER A 65 13.984 15.230 -9.466 1.00 31.31 H new ATOM 0 HG SER A 65 12.131 17.388 -9.692 1.00 43.30 H new ATOM 979 N ARG A 66 14.531 14.288 -13.008 1.00 62.24 N ATOM 980 CA ARG A 66 14.487 13.063 -13.798 1.00 34.34 C ATOM 981 C ARG A 66 14.953 11.867 -12.972 1.00 41.12 C ATOM 982 O ARG A 66 15.751 11.052 -13.436 1.00 41.51 O ATOM 983 CB ARG A 66 15.357 13.204 -15.047 1.00 43.05 C ATOM 984 CG ARG A 66 15.388 14.615 -15.612 1.00 21.01 C ATOM 985 CD ARG A 66 16.666 15.343 -15.223 1.00 75.44 C ATOM 986 NE ARG A 66 17.130 16.236 -16.281 1.00 14.50 N ATOM 987 CZ ARG A 66 18.333 16.800 -16.292 1.00 34.31 C ATOM 988 NH1 ARG A 66 19.188 16.562 -15.307 1.00 43.43 N ATOM 989 NH2 ARG A 66 18.682 17.602 -17.289 1.00 71.15 N ATOM 0 H ARG A 66 15.399 14.817 -13.098 1.00 62.24 H new ATOM 0 HA ARG A 66 13.454 12.893 -14.102 1.00 34.34 H new ATOM 0 HB2 ARG A 66 16.375 12.895 -14.807 1.00 43.05 H new ATOM 0 HB3 ARG A 66 14.989 12.523 -15.814 1.00 43.05 H new ATOM 0 HG2 ARG A 66 15.307 14.575 -16.698 1.00 21.01 H new ATOM 0 HG3 ARG A 66 14.525 15.173 -15.248 1.00 21.01 H new ATOM 0 HD2 ARG A 66 16.493 15.918 -14.313 1.00 75.44 H new ATOM 0 HD3 ARG A 66 17.444 14.614 -14.997 1.00 75.44 H new ATOM 0 HE ARG A 66 16.496 16.438 -17.054 1.00 14.50 H new ATOM 0 HH11 ARG A 66 18.923 15.945 -14.539 1.00 43.43 H new ATOM 0 HH12 ARG A 66 20.111 16.996 -15.317 1.00 43.43 H new ATOM 0 HH21 ARG A 66 18.027 17.786 -18.048 1.00 71.15 H new ATOM 0 HH22 ARG A 66 19.606 18.034 -17.296 1.00 71.15 H new ATOM 1003 N VAL A 67 14.450 11.769 -11.746 1.00 21.33 N ATOM 1004 CA VAL A 67 14.814 10.673 -10.856 1.00 24.14 C ATOM 1005 C VAL A 67 14.422 9.326 -11.453 1.00 10.23 C ATOM 1006 O VAL A 67 13.807 9.263 -12.517 1.00 42.35 O ATOM 1007 CB VAL A 67 14.146 10.825 -9.476 1.00 64.31 C ATOM 1008 CG1 VAL A 67 14.760 11.987 -8.710 1.00 61.14 C ATOM 1009 CG2 VAL A 67 12.644 11.010 -9.629 1.00 44.34 C ATOM 0 H VAL A 67 13.789 12.435 -11.346 1.00 21.33 H new ATOM 0 HA VAL A 67 15.896 10.711 -10.734 1.00 24.14 H new ATOM 0 HB VAL A 67 14.320 9.913 -8.905 1.00 64.31 H new ATOM 0 HG11 VAL A 67 14.275 12.079 -7.738 1.00 61.14 H new ATOM 0 HG12 VAL A 67 15.826 11.807 -8.569 1.00 61.14 H new ATOM 0 HG13 VAL A 67 14.620 12.909 -9.274 1.00 61.14 H new ATOM 0 HG21 VAL A 67 12.188 11.116 -8.645 1.00 44.34 H new ATOM 0 HG22 VAL A 67 12.446 11.905 -10.219 1.00 44.34 H new ATOM 0 HG23 VAL A 67 12.220 10.142 -10.134 1.00 44.34 H new ATOM 1019 N ARG A 68 14.781 8.251 -10.760 1.00 20.44 N ATOM 1020 CA ARG A 68 14.467 6.904 -11.222 1.00 0.03 C ATOM 1021 C ARG A 68 13.643 6.151 -10.182 1.00 31.33 C ATOM 1022 O ARG A 68 14.169 5.704 -9.162 1.00 52.21 O ATOM 1023 CB ARG A 68 15.753 6.133 -11.525 1.00 0.01 C ATOM 1024 CG ARG A 68 15.514 4.784 -12.183 1.00 53.24 C ATOM 1025 CD ARG A 68 16.513 4.524 -13.300 1.00 54.41 C ATOM 1026 NE ARG A 68 16.285 5.394 -14.451 1.00 60.34 N ATOM 1027 CZ ARG A 68 17.040 5.379 -15.544 1.00 62.11 C ATOM 1028 NH1 ARG A 68 18.066 4.544 -15.634 1.00 31.42 N ATOM 1029 NH2 ARG A 68 16.770 6.201 -16.550 1.00 74.42 N ATOM 0 H ARG A 68 15.290 8.286 -9.877 1.00 20.44 H new ATOM 0 HA ARG A 68 13.878 6.988 -12.135 1.00 0.03 H new ATOM 0 HB2 ARG A 68 16.385 6.738 -12.175 1.00 0.01 H new ATOM 0 HB3 ARG A 68 16.304 5.982 -10.596 1.00 0.01 H new ATOM 0 HG2 ARG A 68 15.589 3.995 -11.435 1.00 53.24 H new ATOM 0 HG3 ARG A 68 14.501 4.748 -12.584 1.00 53.24 H new ATOM 0 HD2 ARG A 68 17.525 4.677 -12.924 1.00 54.41 H new ATOM 0 HD3 ARG A 68 16.444 3.482 -13.613 1.00 54.41 H new ATOM 0 HE ARG A 68 15.504 6.049 -14.414 1.00 60.34 H new ATOM 0 HH11 ARG A 68 18.277 3.911 -14.863 1.00 31.42 H new ATOM 0 HH12 ARG A 68 18.644 4.535 -16.474 1.00 31.42 H new ATOM 0 HH21 ARG A 68 15.982 6.845 -16.485 1.00 74.42 H new ATOM 0 HH22 ARG A 68 17.350 6.189 -17.389 1.00 74.42 H new ATOM 1043 N VAL A 69 12.347 6.014 -10.447 1.00 24.34 N ATOM 1044 CA VAL A 69 11.450 5.314 -9.535 1.00 4.45 C ATOM 1045 C VAL A 69 10.920 4.030 -10.162 1.00 43.12 C ATOM 1046 O VAL A 69 10.487 4.024 -11.314 1.00 13.03 O ATOM 1047 CB VAL A 69 10.260 6.203 -9.127 1.00 21.22 C ATOM 1048 CG1 VAL A 69 9.628 6.845 -10.352 1.00 62.25 C ATOM 1049 CG2 VAL A 69 9.233 5.393 -8.350 1.00 2.24 C ATOM 0 H VAL A 69 11.895 6.379 -11.286 1.00 24.34 H new ATOM 0 HA VAL A 69 12.031 5.067 -8.647 1.00 4.45 H new ATOM 0 HB VAL A 69 10.628 6.998 -8.479 1.00 21.22 H new ATOM 0 HG11 VAL A 69 8.789 7.469 -10.044 1.00 62.25 H new ATOM 0 HG12 VAL A 69 10.369 7.459 -10.864 1.00 62.25 H new ATOM 0 HG13 VAL A 69 9.272 6.067 -11.028 1.00 62.25 H new ATOM 0 HG21 VAL A 69 8.399 6.036 -8.069 1.00 2.24 H new ATOM 0 HG22 VAL A 69 8.868 4.576 -8.972 1.00 2.24 H new ATOM 0 HG23 VAL A 69 9.695 4.986 -7.451 1.00 2.24 H new ATOM 1059 N GLU A 70 10.958 2.944 -9.396 1.00 41.14 N ATOM 1060 CA GLU A 70 10.481 1.653 -9.879 1.00 4.24 C ATOM 1061 C GLU A 70 9.836 0.855 -8.749 1.00 64.12 C ATOM 1062 O GLU A 70 9.997 1.182 -7.572 1.00 70.54 O ATOM 1063 CB GLU A 70 11.635 0.854 -10.489 1.00 12.04 C ATOM 1064 CG GLU A 70 11.566 0.744 -12.002 1.00 54.35 C ATOM 1065 CD GLU A 70 12.936 0.649 -12.644 1.00 3.02 C ATOM 1066 OE1 GLU A 70 13.802 1.489 -12.320 1.00 11.03 O ATOM 1067 OE2 GLU A 70 13.144 -0.265 -13.469 1.00 55.54 O ATOM 0 H GLU A 70 11.314 2.932 -8.440 1.00 41.14 H new ATOM 0 HA GLU A 70 9.729 1.835 -10.647 1.00 4.24 H new ATOM 0 HB2 GLU A 70 12.578 1.324 -10.210 1.00 12.04 H new ATOM 0 HB3 GLU A 70 11.639 -0.148 -10.060 1.00 12.04 H new ATOM 0 HG2 GLU A 70 10.981 -0.135 -12.272 1.00 54.35 H new ATOM 0 HG3 GLU A 70 11.041 1.612 -12.402 1.00 54.35 H new ATOM 1074 N LEU A 71 9.106 -0.192 -9.115 1.00 70.45 N ATOM 1075 CA LEU A 71 8.435 -1.038 -8.134 1.00 64.31 C ATOM 1076 C LEU A 71 9.056 -2.431 -8.101 1.00 60.33 C ATOM 1077 O LEU A 71 9.139 -3.109 -9.126 1.00 3.15 O ATOM 1078 CB LEU A 71 6.943 -1.140 -8.454 1.00 40.11 C ATOM 1079 CG LEU A 71 6.550 -0.885 -9.910 1.00 12.14 C ATOM 1080 CD1 LEU A 71 7.089 -1.986 -10.809 1.00 64.01 C ATOM 1081 CD2 LEU A 71 5.038 -0.778 -10.043 1.00 33.13 C ATOM 0 H LEU A 71 8.963 -0.476 -10.084 1.00 70.45 H new ATOM 0 HA LEU A 71 8.559 -0.581 -7.152 1.00 64.31 H new ATOM 0 HB2 LEU A 71 6.599 -2.136 -8.175 1.00 40.11 H new ATOM 0 HB3 LEU A 71 6.407 -0.430 -7.824 1.00 40.11 H new ATOM 0 HG LEU A 71 6.991 0.061 -10.225 1.00 12.14 H new ATOM 0 HD11 LEU A 71 6.799 -1.788 -11.841 1.00 64.01 H new ATOM 0 HD12 LEU A 71 8.176 -2.015 -10.736 1.00 64.01 H new ATOM 0 HD13 LEU A 71 6.678 -2.946 -10.495 1.00 64.01 H new ATOM 0 HD21 LEU A 71 4.776 -0.597 -11.085 1.00 33.13 H new ATOM 0 HD22 LEU A 71 4.577 -1.708 -9.710 1.00 33.13 H new ATOM 0 HD23 LEU A 71 4.676 0.047 -9.429 1.00 33.13 H new ATOM 1093 N SER A 72 9.488 -2.853 -6.917 1.00 64.13 N ATOM 1094 CA SER A 72 10.103 -4.165 -6.751 1.00 32.01 C ATOM 1095 C SER A 72 9.051 -5.269 -6.811 1.00 45.03 C ATOM 1096 O SER A 72 9.302 -6.354 -7.337 1.00 21.23 O ATOM 1097 CB SER A 72 10.856 -4.234 -5.421 1.00 35.22 C ATOM 1098 OG SER A 72 11.114 -5.577 -5.050 1.00 62.34 O ATOM 0 H SER A 72 9.424 -2.306 -6.059 1.00 64.13 H new ATOM 0 HA SER A 72 10.809 -4.315 -7.568 1.00 32.01 H new ATOM 0 HB2 SER A 72 11.796 -3.689 -5.503 1.00 35.22 H new ATOM 0 HB3 SER A 72 10.271 -3.744 -4.642 1.00 35.22 H new ATOM 0 HG SER A 72 11.597 -5.594 -4.198 1.00 62.34 H new