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+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.145 F(o=-1.8,f=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 93:sc= 1.33 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) 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 85:sc= -0.365 USER MOD Single : A 72 SER OG : rot 133:sc= 0.0174 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 5.160 -0.713 -3.331 1.00 23.32 N ATOM 19 CA LYS A 2 6.411 -0.144 -2.842 1.00 72.41 C ATOM 20 C LYS A 2 7.069 0.721 -3.912 1.00 4.15 C ATOM 21 O LYS A 2 6.994 0.418 -5.102 1.00 44.45 O ATOM 22 CB LYS A 2 7.368 -1.258 -2.412 1.00 31.33 C ATOM 23 CG LYS A 2 6.732 -2.285 -1.490 1.00 53.43 C ATOM 24 CD LYS A 2 7.703 -3.400 -1.143 1.00 21.20 C ATOM 25 CE LYS A 2 7.084 -4.770 -1.374 1.00 20.23 C ATOM 26 NZ LYS A 2 6.287 -5.223 -0.201 1.00 34.35 N ATOM 0 HA LYS A 2 6.184 0.484 -1.980 1.00 72.41 H new ATOM 0 HB2 LYS A 2 7.745 -1.764 -3.300 1.00 31.33 H new ATOM 0 HB3 LYS A 2 8.227 -0.814 -1.909 1.00 31.33 H new ATOM 0 HG2 LYS A 2 6.397 -1.796 -0.576 1.00 53.43 H new ATOM 0 HG3 LYS A 2 5.848 -2.707 -1.969 1.00 53.43 H new ATOM 0 HD2 LYS A 2 8.604 -3.300 -1.748 1.00 21.20 H new ATOM 0 HD3 LYS A 2 8.007 -3.308 -0.100 1.00 21.20 H new ATOM 0 HE2 LYS A 2 6.445 -4.736 -2.256 1.00 20.23 H new ATOM 0 HE3 LYS A 2 7.872 -5.495 -1.579 1.00 20.23 H new ATOM 0 HZ1 LYS A 2 5.882 -6.160 -0.398 1.00 34.35 H new ATOM 0 HZ2 LYS A 2 6.902 -5.280 0.635 1.00 34.35 H new ATOM 0 HZ3 LYS A 2 5.519 -4.545 -0.020 1.00 34.35 H new ATOM 40 N VAL A 3 7.716 1.799 -3.479 1.00 31.02 N ATOM 41 CA VAL A 3 8.390 2.707 -4.399 1.00 62.10 C ATOM 42 C VAL A 3 9.885 2.775 -4.107 1.00 11.41 C ATOM 43 O VAL A 3 10.309 2.666 -2.956 1.00 71.32 O ATOM 44 CB VAL A 3 7.798 4.126 -4.322 1.00 14.52 C ATOM 45 CG1 VAL A 3 7.383 4.608 -5.704 1.00 33.12 C ATOM 46 CG2 VAL A 3 6.619 4.160 -3.361 1.00 21.15 C ATOM 0 H VAL A 3 7.787 2.064 -2.497 1.00 31.02 H new ATOM 0 HA VAL A 3 8.236 2.312 -5.403 1.00 62.10 H new ATOM 0 HB VAL A 3 8.566 4.801 -3.944 1.00 14.52 H new ATOM 0 HG11 VAL A 3 6.967 5.613 -5.629 1.00 33.12 H new ATOM 0 HG12 VAL A 3 8.253 4.624 -6.360 1.00 33.12 H new ATOM 0 HG13 VAL A 3 6.631 3.934 -6.114 1.00 33.12 H new ATOM 0 HG21 VAL A 3 6.213 5.171 -3.319 1.00 21.15 H new ATOM 0 HG22 VAL A 3 5.847 3.473 -3.708 1.00 21.15 H new ATOM 0 HG23 VAL A 3 6.951 3.861 -2.367 1.00 21.15 H new ATOM 56 N TYR A 4 10.679 2.958 -5.156 1.00 21.01 N ATOM 57 CA TYR A 4 12.128 3.039 -5.013 1.00 12.43 C ATOM 58 C TYR A 4 12.678 4.269 -5.730 1.00 31.43 C ATOM 59 O TYR A 4 12.699 4.327 -6.959 1.00 50.32 O ATOM 60 CB TYR A 4 12.788 1.775 -5.565 1.00 52.03 C ATOM 61 CG TYR A 4 12.871 0.647 -4.561 1.00 45.54 C ATOM 62 CD1 TYR A 4 11.834 -0.267 -4.426 1.00 53.42 C ATOM 63 CD2 TYR A 4 13.987 0.497 -3.748 1.00 23.44 C ATOM 64 CE1 TYR A 4 11.905 -1.298 -3.510 1.00 22.11 C ATOM 65 CE2 TYR A 4 14.068 -0.533 -2.830 1.00 1.43 C ATOM 66 CZ TYR A 4 13.025 -1.427 -2.714 1.00 74.14 C ATOM 67 OH TYR A 4 13.101 -2.453 -1.800 1.00 54.13 O ATOM 0 H TYR A 4 10.344 3.053 -6.115 1.00 21.01 H new ATOM 0 HA TYR A 4 12.358 3.126 -3.951 1.00 12.43 H new ATOM 0 HB2 TYR A 4 12.229 1.434 -6.436 1.00 52.03 H new ATOM 0 HB3 TYR A 4 13.793 2.020 -5.907 1.00 52.03 H new ATOM 0 HD1 TYR A 4 10.957 -0.170 -5.048 1.00 53.42 H new ATOM 0 HD2 TYR A 4 14.805 1.197 -3.835 1.00 23.44 H new ATOM 0 HE1 TYR A 4 11.089 -1.999 -3.417 1.00 22.11 H new ATOM 0 HE2 TYR A 4 14.944 -0.637 -2.207 1.00 1.43 H new ATOM 0 HH TYR A 4 13.955 -2.402 -1.321 1.00 54.13 H new ATOM 77 N VAL A 5 13.123 5.250 -4.951 1.00 64.32 N ATOM 78 CA VAL A 5 13.676 6.478 -5.510 1.00 32.02 C ATOM 79 C VAL A 5 15.188 6.534 -5.325 1.00 41.05 C ATOM 80 O VAL A 5 15.681 6.806 -4.232 1.00 1.33 O ATOM 81 CB VAL A 5 13.044 7.724 -4.861 1.00 20.34 C ATOM 82 CG1 VAL A 5 11.615 7.912 -5.346 1.00 51.42 C ATOM 83 CG2 VAL A 5 13.091 7.615 -3.344 1.00 15.00 C ATOM 0 H VAL A 5 13.111 5.218 -3.932 1.00 64.32 H new ATOM 0 HA VAL A 5 13.443 6.474 -6.575 1.00 32.02 H new ATOM 0 HB VAL A 5 13.621 8.600 -5.158 1.00 20.34 H new ATOM 0 HG11 VAL A 5 11.185 8.797 -4.877 1.00 51.42 H new ATOM 0 HG12 VAL A 5 11.612 8.038 -6.429 1.00 51.42 H new ATOM 0 HG13 VAL A 5 11.023 7.036 -5.081 1.00 51.42 H new ATOM 0 HG21 VAL A 5 12.641 8.503 -2.901 1.00 15.00 H new ATOM 0 HG22 VAL A 5 12.539 6.731 -3.025 1.00 15.00 H new ATOM 0 HG23 VAL A 5 14.128 7.533 -3.017 1.00 15.00 H new ATOM 93 N GLY A 6 15.921 6.275 -6.405 1.00 35.55 N ATOM 94 CA GLY A 6 17.370 6.301 -6.341 1.00 61.10 C ATOM 95 C GLY A 6 17.963 7.469 -7.104 1.00 13.12 C ATOM 96 O GLY A 6 17.234 8.293 -7.655 1.00 31.04 O ATOM 0 H GLY A 6 15.536 6.048 -7.322 1.00 35.55 H new ATOM 0 HA2 GLY A 6 17.684 6.355 -5.299 1.00 61.10 H new ATOM 0 HA3 GLY A 6 17.765 5.369 -6.745 1.00 61.10 H new ATOM 100 N ASN A 7 19.289 7.542 -7.135 1.00 25.33 N ATOM 101 CA ASN A 7 19.980 8.619 -7.834 1.00 11.42 C ATOM 102 C ASN A 7 19.682 9.968 -7.184 1.00 61.54 C ATOM 103 O ASN A 7 18.947 10.786 -7.737 1.00 54.53 O ATOM 104 CB ASN A 7 19.566 8.648 -9.307 1.00 32.45 C ATOM 105 CG ASN A 7 19.951 7.377 -10.040 1.00 0.32 C ATOM 106 OD1 ASN A 7 19.160 6.326 -9.858 1.00 71.23 O flip ATOM 107 ND2 ASN A 7 20.948 7.342 -10.761 1.00 0.32 N flip ATOM 0 H ASN A 7 19.907 6.868 -6.684 1.00 25.33 H new ATOM 0 HA ASN A 7 21.052 8.432 -7.769 1.00 11.42 H new ATOM 0 HB2 ASN A 7 18.488 8.792 -9.376 1.00 32.45 H new ATOM 0 HB3 ASN A 7 20.033 9.502 -9.796 1.00 32.45 H new ATOM 0 HD21 ASN A 7 21.527 8.174 -10.871 1.00 0.32 H new ATOM 0 HD22 ASN A 7 21.195 6.481 -11.248 1.00 0.32 H new ATOM 114 N LEU A 8 20.258 10.192 -6.009 1.00 24.43 N ATOM 115 CA LEU A 8 20.056 11.441 -5.283 1.00 70.12 C ATOM 116 C LEU A 8 21.374 12.189 -5.108 1.00 72.32 C ATOM 117 O LEU A 8 21.976 12.164 -4.036 1.00 13.05 O ATOM 118 CB LEU A 8 19.428 11.164 -3.916 1.00 63.30 C ATOM 119 CG LEU A 8 18.155 10.317 -3.921 1.00 52.43 C ATOM 120 CD1 LEU A 8 17.939 9.670 -2.562 1.00 72.55 C ATOM 121 CD2 LEU A 8 16.952 11.166 -4.307 1.00 0.33 C ATOM 0 H LEU A 8 20.869 9.525 -5.538 1.00 24.43 H new ATOM 0 HA LEU A 8 19.380 12.066 -5.866 1.00 70.12 H new ATOM 0 HB2 LEU A 8 20.170 10.665 -3.292 1.00 63.30 H new ATOM 0 HB3 LEU A 8 19.203 12.119 -3.442 1.00 63.30 H new ATOM 0 HG LEU A 8 18.270 9.526 -4.662 1.00 52.43 H new ATOM 0 HD11 LEU A 8 17.028 9.071 -2.585 1.00 72.55 H new ATOM 0 HD12 LEU A 8 18.789 9.030 -2.325 1.00 72.55 H new ATOM 0 HD13 LEU A 8 17.845 10.445 -1.801 1.00 72.55 H new ATOM 0 HD21 LEU A 8 16.055 10.547 -4.306 1.00 0.33 H new ATOM 0 HD22 LEU A 8 16.834 11.978 -3.589 1.00 0.33 H new ATOM 0 HD23 LEU A 8 17.105 11.582 -5.303 1.00 0.33 H new ATOM 161 N ALA A 12 18.537 16.811 -4.592 1.00 72.10 N ATOM 162 CA ALA A 12 17.238 16.176 -4.404 1.00 24.24 C ATOM 163 C ALA A 12 17.352 14.950 -3.504 1.00 24.12 C ATOM 164 O ALA A 12 17.838 13.901 -3.925 1.00 42.34 O ATOM 165 CB ALA A 12 16.639 15.792 -5.748 1.00 75.02 C ATOM 0 HA ALA A 12 16.578 16.893 -3.916 1.00 24.24 H new ATOM 0 HB1 ALA A 12 15.669 15.319 -5.592 1.00 75.02 H new ATOM 0 HB2 ALA A 12 16.513 16.686 -6.359 1.00 75.02 H new ATOM 0 HB3 ALA A 12 17.305 15.095 -6.257 1.00 75.02 H new ATOM 171 N GLY A 13 16.902 15.090 -2.261 1.00 35.23 N ATOM 172 CA GLY A 13 16.963 13.986 -1.321 1.00 30.23 C ATOM 173 C GLY A 13 15.616 13.681 -0.696 1.00 20.31 C ATOM 174 O GLY A 13 14.615 13.536 -1.399 1.00 3.35 O ATOM 0 H GLY A 13 16.496 15.948 -1.888 1.00 35.23 H new ATOM 0 HA2 GLY A 13 17.332 13.097 -1.833 1.00 30.23 H new ATOM 0 HA3 GLY A 13 17.680 14.222 -0.535 1.00 30.23 H new ATOM 178 N LYS A 14 15.589 13.580 0.629 1.00 42.33 N ATOM 179 CA LYS A 14 14.356 13.290 1.350 1.00 74.34 C ATOM 180 C LYS A 14 13.342 14.415 1.169 1.00 73.23 C ATOM 181 O LYS A 14 12.162 14.167 0.924 1.00 71.13 O ATOM 182 CB LYS A 14 14.647 13.085 2.838 1.00 14.41 C ATOM 183 CG LYS A 14 15.398 14.242 3.475 1.00 31.42 C ATOM 184 CD LYS A 14 14.459 15.171 4.225 1.00 13.14 C ATOM 185 CE LYS A 14 14.835 15.277 5.695 1.00 24.32 C ATOM 186 NZ LYS A 14 14.519 16.620 6.254 1.00 54.21 N ATOM 0 H LYS A 14 16.408 13.695 1.225 1.00 42.33 H new ATOM 0 HA LYS A 14 13.932 12.374 0.940 1.00 74.34 H new ATOM 0 HB2 LYS A 14 13.705 12.938 3.367 1.00 14.41 H new ATOM 0 HB3 LYS A 14 15.229 12.172 2.964 1.00 14.41 H new ATOM 0 HG2 LYS A 14 16.152 13.854 4.160 1.00 31.42 H new ATOM 0 HG3 LYS A 14 15.926 14.802 2.704 1.00 31.42 H new ATOM 0 HD2 LYS A 14 14.485 16.161 3.770 1.00 13.14 H new ATOM 0 HD3 LYS A 14 13.436 14.806 4.136 1.00 13.14 H new ATOM 0 HE2 LYS A 14 14.302 14.513 6.262 1.00 24.32 H new ATOM 0 HE3 LYS A 14 15.900 15.076 5.813 1.00 24.32 H new ATOM 0 HZ1 LYS A 14 14.790 16.651 7.258 1.00 54.21 H new ATOM 0 HZ2 LYS A 14 15.047 17.347 5.730 1.00 54.21 H new ATOM 0 HZ3 LYS A 14 13.499 16.802 6.165 1.00 54.21 H new ATOM 200 N GLY A 15 13.811 15.653 1.290 1.00 55.20 N ATOM 201 CA GLY A 15 12.932 16.798 1.135 1.00 34.44 C ATOM 202 C GLY A 15 12.363 16.907 -0.266 1.00 4.13 C ATOM 203 O GLY A 15 11.166 17.130 -0.440 1.00 71.44 O ATOM 0 H GLY A 15 14.784 15.884 1.493 1.00 55.20 H new ATOM 0 HA2 GLY A 15 12.114 16.724 1.851 1.00 34.44 H new ATOM 0 HA3 GLY A 15 13.482 17.709 1.372 1.00 34.44 H new ATOM 207 N GLU A 16 13.225 16.752 -1.266 1.00 1.10 N ATOM 208 CA GLU A 16 12.801 16.838 -2.659 1.00 24.34 C ATOM 209 C GLU A 16 11.759 15.769 -2.977 1.00 3.32 C ATOM 210 O GLU A 16 10.651 16.078 -3.416 1.00 14.44 O ATOM 211 CB GLU A 16 14.005 16.686 -3.591 1.00 72.23 C ATOM 212 CG GLU A 16 13.674 16.921 -5.055 1.00 74.15 C ATOM 213 CD GLU A 16 13.223 15.657 -5.762 1.00 23.01 C ATOM 214 OE1 GLU A 16 13.592 14.556 -5.302 1.00 41.23 O ATOM 215 OE2 GLU A 16 12.501 15.769 -6.775 1.00 4.41 O ATOM 0 H GLU A 16 14.220 16.566 -1.138 1.00 1.10 H new ATOM 0 HA GLU A 16 12.350 17.818 -2.816 1.00 24.34 H new ATOM 0 HB2 GLU A 16 14.781 17.388 -3.285 1.00 72.23 H new ATOM 0 HB3 GLU A 16 14.418 15.684 -3.477 1.00 72.23 H new ATOM 0 HG2 GLU A 16 12.890 17.674 -5.130 1.00 74.15 H new ATOM 0 HG3 GLU A 16 14.551 17.323 -5.562 1.00 74.15 H new ATOM 222 N LEU A 17 12.123 14.511 -2.753 1.00 43.44 N ATOM 223 CA LEU A 17 11.221 13.396 -3.016 1.00 60.34 C ATOM 224 C LEU A 17 9.947 13.519 -2.187 1.00 72.31 C ATOM 225 O LEU A 17 8.867 13.130 -2.631 1.00 31.24 O ATOM 226 CB LEU A 17 11.917 12.068 -2.710 1.00 13.34 C ATOM 227 CG LEU A 17 11.876 11.611 -1.251 1.00 65.11 C ATOM 228 CD1 LEU A 17 10.606 10.823 -0.974 1.00 33.14 C ATOM 229 CD2 LEU A 17 13.106 10.778 -0.919 1.00 71.23 C ATOM 0 H LEU A 17 13.036 14.238 -2.390 1.00 43.44 H new ATOM 0 HA LEU A 17 10.949 13.422 -4.071 1.00 60.34 H new ATOM 0 HB2 LEU A 17 11.463 11.292 -3.326 1.00 13.34 H new ATOM 0 HB3 LEU A 17 12.960 12.148 -3.016 1.00 13.34 H new ATOM 0 HG LEU A 17 11.877 12.495 -0.613 1.00 65.11 H new ATOM 0 HD11 LEU A 17 10.595 10.506 0.069 1.00 33.14 H new ATOM 0 HD12 LEU A 17 9.738 11.451 -1.172 1.00 33.14 H new ATOM 0 HD13 LEU A 17 10.574 9.946 -1.620 1.00 33.14 H new ATOM 0 HD21 LEU A 17 13.060 10.461 0.123 1.00 71.23 H new ATOM 0 HD22 LEU A 17 13.136 9.900 -1.564 1.00 71.23 H new ATOM 0 HD23 LEU A 17 14.004 11.375 -1.078 1.00 71.23 H new ATOM 241 N GLU A 18 10.081 14.064 -0.982 1.00 62.02 N ATOM 242 CA GLU A 18 8.940 14.239 -0.092 1.00 54.31 C ATOM 243 C GLU A 18 7.903 15.170 -0.714 1.00 11.51 C ATOM 244 O GLU A 18 6.721 14.836 -0.792 1.00 55.40 O ATOM 245 CB GLU A 18 9.398 14.797 1.257 1.00 34.43 C ATOM 246 CG GLU A 18 8.252 15.161 2.186 1.00 55.52 C ATOM 247 CD GLU A 18 8.705 15.371 3.618 1.00 73.14 C ATOM 248 OE1 GLU A 18 9.871 15.770 3.818 1.00 41.24 O ATOM 249 OE2 GLU A 18 7.894 15.136 4.538 1.00 70.44 O ATOM 0 H GLU A 18 10.968 14.392 -0.600 1.00 62.02 H new ATOM 0 HA GLU A 18 8.480 13.263 0.064 1.00 54.31 H new ATOM 0 HB2 GLU A 18 10.033 14.060 1.749 1.00 34.43 H new ATOM 0 HB3 GLU A 18 10.011 15.682 1.085 1.00 34.43 H new ATOM 0 HG2 GLU A 18 7.771 16.070 1.824 1.00 55.52 H new ATOM 0 HG3 GLU A 18 7.502 14.371 2.158 1.00 55.52 H new ATOM 256 N ARG A 19 8.355 16.340 -1.154 1.00 41.02 N ATOM 257 CA ARG A 19 7.467 17.321 -1.767 1.00 65.33 C ATOM 258 C ARG A 19 6.848 16.768 -3.047 1.00 74.43 C ATOM 259 O ARG A 19 5.655 16.939 -3.295 1.00 54.44 O ATOM 260 CB ARG A 19 8.231 18.610 -2.074 1.00 3.22 C ATOM 261 CG ARG A 19 7.399 19.652 -2.804 1.00 24.10 C ATOM 262 CD ARG A 19 7.628 21.044 -2.238 1.00 3.53 C ATOM 263 NE ARG A 19 9.029 21.448 -2.327 1.00 0.23 N ATOM 264 CZ ARG A 19 9.475 22.641 -1.950 1.00 4.20 C ATOM 265 NH1 ARG A 19 8.635 23.543 -1.461 1.00 24.22 N ATOM 266 NH2 ARG A 19 10.765 22.934 -2.062 1.00 13.22 N ATOM 0 H ARG A 19 9.331 16.632 -1.097 1.00 41.02 H new ATOM 0 HA ARG A 19 6.666 17.540 -1.061 1.00 65.33 H new ATOM 0 HB2 ARG A 19 8.595 19.038 -1.140 1.00 3.22 H new ATOM 0 HB3 ARG A 19 9.106 18.369 -2.677 1.00 3.22 H new ATOM 0 HG2 ARG A 19 7.652 19.643 -3.864 1.00 24.10 H new ATOM 0 HG3 ARG A 19 6.342 19.396 -2.726 1.00 24.10 H new ATOM 0 HD2 ARG A 19 7.009 21.761 -2.778 1.00 3.53 H new ATOM 0 HD3 ARG A 19 7.309 21.068 -1.196 1.00 3.53 H new ATOM 0 HE ARG A 19 9.701 20.777 -2.699 1.00 0.23 H new ATOM 0 HH11 ARG A 19 7.643 23.322 -1.373 1.00 24.22 H new ATOM 0 HH12 ARG A 19 8.981 24.458 -1.172 1.00 24.22 H new ATOM 0 HH21 ARG A 19 11.414 22.243 -2.438 1.00 13.22 H new ATOM 0 HH22 ARG A 19 11.107 23.850 -1.772 1.00 13.22 H new ATOM 280 N ALA A 20 7.667 16.104 -3.856 1.00 74.33 N ATOM 281 CA ALA A 20 7.199 15.524 -5.109 1.00 52.34 C ATOM 282 C ALA A 20 6.154 14.443 -4.858 1.00 31.43 C ATOM 283 O ALA A 20 4.993 14.585 -5.244 1.00 23.45 O ATOM 284 CB ALA A 20 8.370 14.957 -5.898 1.00 74.30 C ATOM 0 H ALA A 20 8.658 15.954 -3.666 1.00 74.33 H new ATOM 0 HA ALA A 20 6.730 16.315 -5.694 1.00 52.34 H new ATOM 0 HB1 ALA A 20 8.006 14.527 -6.831 1.00 74.30 H new ATOM 0 HB2 ALA A 20 9.080 15.754 -6.118 1.00 74.30 H new ATOM 0 HB3 ALA A 20 8.864 14.183 -5.310 1.00 74.30 H new ATOM 290 N PHE A 21 6.573 13.361 -4.209 1.00 51.10 N ATOM 291 CA PHE A 21 5.673 12.254 -3.907 1.00 61.04 C ATOM 292 C PHE A 21 4.389 12.759 -3.256 1.00 21.34 C ATOM 293 O PHE A 21 3.287 12.443 -3.704 1.00 40.32 O ATOM 294 CB PHE A 21 6.363 11.245 -2.987 1.00 72.42 C ATOM 295 CG PHE A 21 7.091 10.159 -3.727 1.00 71.00 C ATOM 296 CD1 PHE A 21 8.157 10.463 -4.557 1.00 44.45 C ATOM 297 CD2 PHE A 21 6.708 8.834 -3.592 1.00 44.03 C ATOM 298 CE1 PHE A 21 8.830 9.467 -5.239 1.00 72.34 C ATOM 299 CE2 PHE A 21 7.377 7.833 -4.271 1.00 42.24 C ATOM 300 CZ PHE A 21 8.438 8.150 -5.097 1.00 24.02 C ATOM 0 H PHE A 21 7.530 13.228 -3.882 1.00 51.10 H new ATOM 0 HA PHE A 21 5.414 11.762 -4.845 1.00 61.04 H new ATOM 0 HB2 PHE A 21 7.069 11.773 -2.346 1.00 72.42 H new ATOM 0 HB3 PHE A 21 5.617 10.792 -2.334 1.00 72.42 H new ATOM 0 HD1 PHE A 21 8.466 11.491 -4.673 1.00 44.45 H new ATOM 0 HD2 PHE A 21 5.878 8.581 -2.949 1.00 44.03 H new ATOM 0 HE1 PHE A 21 9.661 9.718 -5.882 1.00 72.34 H new ATOM 0 HE2 PHE A 21 7.070 6.804 -4.156 1.00 42.24 H new ATOM 0 HZ PHE A 21 8.960 7.370 -5.631 1.00 24.02 H new ATOM 310 N SER A 22 4.541 13.544 -2.194 1.00 15.00 N ATOM 311 CA SER A 22 3.394 14.089 -1.477 1.00 10.52 C ATOM 312 C SER A 22 2.485 14.871 -2.420 1.00 51.23 C ATOM 313 O SER A 22 1.260 14.760 -2.354 1.00 44.42 O ATOM 314 CB SER A 22 3.863 14.994 -0.336 1.00 13.33 C ATOM 315 OG SER A 22 4.618 14.265 0.616 1.00 45.13 O ATOM 0 H SER A 22 5.446 13.817 -1.811 1.00 15.00 H new ATOM 0 HA SER A 22 2.827 13.256 -1.062 1.00 10.52 H new ATOM 0 HB2 SER A 22 4.467 15.808 -0.738 1.00 13.33 H new ATOM 0 HB3 SER A 22 3.000 15.448 0.150 1.00 13.33 H new ATOM 0 HG SER A 22 5.571 14.330 0.397 1.00 45.13 H new ATOM 321 N TYR A 23 3.093 15.662 -3.298 1.00 21.44 N ATOM 322 CA TYR A 23 2.340 16.464 -4.254 1.00 11.54 C ATOM 323 C TYR A 23 1.439 15.584 -5.115 1.00 24.14 C ATOM 324 O TYR A 23 0.267 15.895 -5.327 1.00 1.01 O ATOM 325 CB TYR A 23 3.294 17.263 -5.144 1.00 75.22 C ATOM 326 CG TYR A 23 3.466 18.701 -4.711 1.00 32.04 C ATOM 327 CD1 TYR A 23 3.644 19.027 -3.372 1.00 23.34 C ATOM 328 CD2 TYR A 23 3.449 19.734 -5.639 1.00 40.23 C ATOM 329 CE1 TYR A 23 3.801 20.339 -2.971 1.00 3.34 C ATOM 330 CE2 TYR A 23 3.607 21.049 -5.248 1.00 12.44 C ATOM 331 CZ TYR A 23 3.782 21.347 -3.912 1.00 64.12 C ATOM 332 OH TYR A 23 3.938 22.656 -3.518 1.00 5.02 O ATOM 0 H TYR A 23 4.106 15.764 -3.367 1.00 21.44 H new ATOM 0 HA TYR A 23 1.711 17.156 -3.693 1.00 11.54 H new ATOM 0 HB2 TYR A 23 4.268 16.775 -5.148 1.00 75.22 H new ATOM 0 HB3 TYR A 23 2.924 17.243 -6.169 1.00 75.22 H new ATOM 0 HD1 TYR A 23 3.660 18.241 -2.632 1.00 23.34 H new ATOM 0 HD2 TYR A 23 3.310 19.505 -6.685 1.00 40.23 H new ATOM 0 HE1 TYR A 23 3.938 20.575 -1.926 1.00 3.34 H new ATOM 0 HE2 TYR A 23 3.594 21.840 -5.984 1.00 12.44 H new ATOM 0 HH TYR A 23 3.901 23.241 -4.304 1.00 5.02 H new ATOM 342 N TYR A 24 1.996 14.483 -5.607 1.00 50.01 N ATOM 343 CA TYR A 24 1.245 13.557 -6.447 1.00 23.14 C ATOM 344 C TYR A 24 0.265 12.738 -5.613 1.00 32.04 C ATOM 345 O TYR A 24 -0.784 12.318 -6.101 1.00 3.44 O ATOM 346 CB TYR A 24 2.200 12.624 -7.193 1.00 62.03 C ATOM 347 CG TYR A 24 2.875 13.272 -8.381 1.00 54.22 C ATOM 348 CD1 TYR A 24 3.686 14.389 -8.220 1.00 62.51 C ATOM 349 CD2 TYR A 24 2.700 12.769 -9.664 1.00 55.45 C ATOM 350 CE1 TYR A 24 4.304 14.985 -9.302 1.00 70.35 C ATOM 351 CE2 TYR A 24 3.314 13.358 -10.752 1.00 45.23 C ATOM 352 CZ TYR A 24 4.115 14.466 -10.566 1.00 64.44 C ATOM 353 OH TYR A 24 4.729 15.056 -11.648 1.00 34.23 O ATOM 0 H TYR A 24 2.964 14.210 -5.439 1.00 50.01 H new ATOM 0 HA TYR A 24 0.678 14.141 -7.172 1.00 23.14 H new ATOM 0 HB2 TYR A 24 2.964 12.270 -6.500 1.00 62.03 H new ATOM 0 HB3 TYR A 24 1.647 11.748 -7.533 1.00 62.03 H new ATOM 0 HD1 TYR A 24 3.836 14.798 -7.232 1.00 62.51 H new ATOM 0 HD2 TYR A 24 2.073 11.902 -9.813 1.00 55.45 H new ATOM 0 HE1 TYR A 24 4.932 15.852 -9.159 1.00 70.35 H new ATOM 0 HE2 TYR A 24 3.168 12.954 -11.743 1.00 45.23 H new ATOM 0 HH TYR A 24 4.493 14.568 -12.464 1.00 34.23 H new ATOM 363 N GLY A 25 0.615 12.515 -4.349 1.00 73.13 N ATOM 364 CA GLY A 25 -0.244 11.748 -3.466 1.00 71.21 C ATOM 365 C GLY A 25 0.464 11.321 -2.195 1.00 50.35 C ATOM 366 O GLY A 25 1.650 10.989 -2.202 1.00 14.45 O ATOM 0 H GLY A 25 1.478 12.852 -3.922 1.00 73.13 H new ATOM 0 HA2 GLY A 25 -1.119 12.344 -3.208 1.00 71.21 H new ATOM 0 HA3 GLY A 25 -0.604 10.864 -3.992 1.00 71.21 H new ATOM 370 N PRO A 26 -0.271 11.328 -1.073 1.00 44.42 N ATOM 371 CA PRO A 26 0.274 10.943 0.232 1.00 63.10 C ATOM 372 C PRO A 26 0.570 9.450 0.318 1.00 24.45 C ATOM 373 O PRO A 26 -0.328 8.619 0.174 1.00 24.23 O ATOM 374 CB PRO A 26 -0.841 11.324 1.209 1.00 41.44 C ATOM 375 CG PRO A 26 -2.088 11.286 0.394 1.00 64.12 C ATOM 376 CD PRO A 26 -1.690 11.713 -0.992 1.00 62.41 C ATOM 0 HA PRO A 26 1.225 11.434 0.437 1.00 63.10 H new ATOM 0 HB2 PRO A 26 -0.892 10.625 2.044 1.00 41.44 H new ATOM 0 HB3 PRO A 26 -0.675 12.314 1.633 1.00 41.44 H new ATOM 0 HG2 PRO A 26 -2.518 10.285 0.385 1.00 64.12 H new ATOM 0 HG3 PRO A 26 -2.844 11.954 0.806 1.00 64.12 H new ATOM 0 HD2 PRO A 26 -2.287 11.211 -1.754 1.00 62.41 H new ATOM 0 HD3 PRO A 26 -1.824 12.785 -1.136 1.00 62.41 H new ATOM 384 N LEU A 27 1.834 9.115 0.555 1.00 71.40 N ATOM 385 CA LEU A 27 2.249 7.720 0.661 1.00 35.04 C ATOM 386 C LEU A 27 2.101 7.216 2.093 1.00 33.34 C ATOM 387 O LEU A 27 1.633 7.940 2.972 1.00 42.40 O ATOM 388 CB LEU A 27 3.698 7.562 0.200 1.00 24.21 C ATOM 389 CG LEU A 27 4.685 8.611 0.715 1.00 72.31 C ATOM 390 CD1 LEU A 27 4.639 9.858 -0.154 1.00 11.35 C ATOM 391 CD2 LEU A 27 4.385 8.957 2.166 1.00 4.41 C ATOM 0 H LEU A 27 2.589 9.790 0.677 1.00 71.40 H new ATOM 0 HA LEU A 27 1.603 7.124 0.017 1.00 35.04 H new ATOM 0 HB2 LEU A 27 4.051 6.578 0.508 1.00 24.21 H new ATOM 0 HB3 LEU A 27 3.715 7.580 -0.890 1.00 24.21 H new ATOM 0 HG LEU A 27 5.691 8.194 0.663 1.00 72.31 H new ATOM 0 HD11 LEU A 27 5.347 10.593 0.227 1.00 11.35 H new ATOM 0 HD12 LEU A 27 4.903 9.597 -1.179 1.00 11.35 H new ATOM 0 HD13 LEU A 27 3.634 10.279 -0.134 1.00 11.35 H new ATOM 0 HD21 LEU A 27 5.097 9.705 2.516 1.00 4.41 H new ATOM 0 HD22 LEU A 27 3.373 9.355 2.243 1.00 4.41 H new ATOM 0 HD23 LEU A 27 4.470 8.060 2.779 1.00 4.41 H new ATOM 403 N ARG A 28 2.504 5.970 2.321 1.00 10.12 N ATOM 404 CA ARG A 28 2.417 5.369 3.647 1.00 43.32 C ATOM 405 C ARG A 28 3.595 5.799 4.517 1.00 51.24 C ATOM 406 O ARG A 28 3.411 6.301 5.626 1.00 4.31 O ATOM 407 CB ARG A 28 2.380 3.844 3.537 1.00 24.13 C ATOM 408 CG ARG A 28 1.835 3.157 4.779 1.00 55.25 C ATOM 409 CD ARG A 28 1.225 1.805 4.444 1.00 34.13 C ATOM 410 NE ARG A 28 1.458 0.823 5.500 1.00 14.33 N ATOM 411 CZ ARG A 28 0.837 0.846 6.675 1.00 43.23 C ATOM 412 NH1 ARG A 28 -0.049 1.795 6.942 1.00 51.34 N ATOM 413 NH2 ARG A 28 1.103 -0.082 7.585 1.00 70.11 N ATOM 0 H ARG A 28 2.894 5.357 1.605 1.00 10.12 H new ATOM 0 HA ARG A 28 1.496 5.715 4.116 1.00 43.32 H new ATOM 0 HB2 ARG A 28 1.768 3.565 2.679 1.00 24.13 H new ATOM 0 HB3 ARG A 28 3.388 3.478 3.342 1.00 24.13 H new ATOM 0 HG2 ARG A 28 2.637 3.026 5.505 1.00 55.25 H new ATOM 0 HG3 ARG A 28 1.082 3.792 5.247 1.00 55.25 H new ATOM 0 HD2 ARG A 28 0.153 1.920 4.286 1.00 34.13 H new ATOM 0 HD3 ARG A 28 1.647 1.438 3.508 1.00 34.13 H new ATOM 0 HE ARG A 28 2.134 0.079 5.326 1.00 14.33 H new ATOM 0 HH11 ARG A 28 -0.256 2.510 6.245 1.00 51.34 H new ATOM 0 HH12 ARG A 28 -0.524 1.810 7.845 1.00 51.34 H new ATOM 0 HH21 ARG A 28 1.784 -0.814 7.383 1.00 70.11 H new ATOM 0 HH22 ARG A 28 0.626 -0.064 8.486 1.00 70.11 H new ATOM 427 N THR A 29 4.806 5.598 4.006 1.00 51.42 N ATOM 428 CA THR A 29 6.013 5.963 4.736 1.00 44.23 C ATOM 429 C THR A 29 7.224 6.003 3.810 1.00 1.53 C ATOM 430 O THR A 29 7.425 5.104 2.995 1.00 70.54 O ATOM 431 CB THR A 29 6.294 4.978 5.886 1.00 15.13 C ATOM 432 OG1 THR A 29 5.744 3.693 5.576 1.00 61.25 O ATOM 433 CG2 THR A 29 5.700 5.487 7.191 1.00 14.10 C ATOM 0 H THR A 29 4.976 5.184 3.089 1.00 51.42 H new ATOM 0 HA THR A 29 5.843 6.956 5.152 1.00 44.23 H new ATOM 0 HB THR A 29 7.374 4.892 6.005 1.00 15.13 H new ATOM 0 HG1 THR A 29 5.929 3.072 6.311 1.00 61.25 H new ATOM 0 HG21 THR A 29 5.911 4.775 7.989 1.00 14.10 H new ATOM 0 HG22 THR A 29 6.141 6.452 7.440 1.00 14.10 H new ATOM 0 HG23 THR A 29 4.621 5.599 7.081 1.00 14.10 H new ATOM 441 N VAL A 30 8.030 7.053 3.942 1.00 34.35 N ATOM 442 CA VAL A 30 9.222 7.209 3.119 1.00 45.21 C ATOM 443 C VAL A 30 10.489 6.992 3.939 1.00 30.42 C ATOM 444 O VAL A 30 10.466 7.071 5.167 1.00 22.44 O ATOM 445 CB VAL A 30 9.278 8.605 2.470 1.00 14.24 C ATOM 446 CG1 VAL A 30 8.007 8.877 1.680 1.00 51.42 C ATOM 447 CG2 VAL A 30 9.496 9.676 3.529 1.00 64.41 C ATOM 0 H VAL A 30 7.878 7.807 4.611 1.00 34.35 H new ATOM 0 HA VAL A 30 9.165 6.454 2.335 1.00 45.21 H new ATOM 0 HB VAL A 30 10.120 8.632 1.779 1.00 14.24 H new ATOM 0 HG11 VAL A 30 8.064 9.867 1.229 1.00 51.42 H new ATOM 0 HG12 VAL A 30 7.898 8.127 0.897 1.00 51.42 H new ATOM 0 HG13 VAL A 30 7.147 8.832 2.348 1.00 51.42 H new ATOM 0 HG21 VAL A 30 9.533 10.656 3.053 1.00 64.41 H new ATOM 0 HG22 VAL A 30 8.675 9.651 4.246 1.00 64.41 H new ATOM 0 HG23 VAL A 30 10.436 9.489 4.048 1.00 64.41 H new ATOM 457 N TRP A 31 11.592 6.718 3.252 1.00 20.12 N ATOM 458 CA TRP A 31 12.870 6.489 3.918 1.00 54.24 C ATOM 459 C TRP A 31 14.029 6.650 2.940 1.00 31.23 C ATOM 460 O TRP A 31 13.844 6.571 1.726 1.00 74.45 O ATOM 461 CB TRP A 31 12.901 5.092 4.540 1.00 10.41 C ATOM 462 CG TRP A 31 14.004 4.911 5.538 1.00 4.41 C ATOM 463 CD1 TRP A 31 14.141 5.556 6.734 1.00 24.14 C ATOM 464 CD2 TRP A 31 15.126 4.029 5.425 1.00 61.12 C ATOM 465 NE1 TRP A 31 15.281 5.127 7.372 1.00 52.14 N ATOM 466 CE2 TRP A 31 15.902 4.190 6.589 1.00 20.14 C ATOM 467 CE3 TRP A 31 15.549 3.117 4.454 1.00 4.03 C ATOM 468 CZ2 TRP A 31 17.076 3.473 6.806 1.00 10.32 C ATOM 469 CZ3 TRP A 31 16.715 2.407 4.671 1.00 71.12 C ATOM 470 CH2 TRP A 31 17.467 2.587 5.839 1.00 11.53 C ATOM 0 H TRP A 31 11.628 6.649 2.235 1.00 20.12 H new ATOM 0 HA TRP A 31 12.979 7.233 4.707 1.00 54.24 H new ATOM 0 HB2 TRP A 31 11.945 4.897 5.026 1.00 10.41 H new ATOM 0 HB3 TRP A 31 13.012 4.352 3.748 1.00 10.41 H new ATOM 0 HD1 TRP A 31 13.455 6.294 7.122 1.00 24.14 H new ATOM 0 HE1 TRP A 31 15.611 5.453 8.280 1.00 52.14 H new ATOM 0 HE3 TRP A 31 14.975 2.970 3.551 1.00 4.03 H new ATOM 0 HZ2 TRP A 31 17.657 3.611 7.706 1.00 10.32 H new ATOM 0 HZ3 TRP A 31 17.052 1.701 3.927 1.00 71.12 H new ATOM 0 HH2 TRP A 31 18.373 2.016 5.979 1.00 11.53 H new ATOM 481 N ILE A 32 15.223 6.875 3.477 1.00 0.35 N ATOM 482 CA ILE A 32 16.412 7.045 2.651 1.00 11.45 C ATOM 483 C ILE A 32 17.492 6.037 3.028 1.00 10.13 C ATOM 484 O ILE A 32 17.558 5.580 4.169 1.00 71.01 O ATOM 485 CB ILE A 32 16.987 8.468 2.779 1.00 51.52 C ATOM 486 CG1 ILE A 32 15.873 9.507 2.635 1.00 14.11 C ATOM 487 CG2 ILE A 32 18.070 8.697 1.735 1.00 53.51 C ATOM 488 CD1 ILE A 32 15.238 9.527 1.262 1.00 64.21 C ATOM 0 H ILE A 32 15.393 6.944 4.480 1.00 0.35 H new ATOM 0 HA ILE A 32 16.106 6.877 1.619 1.00 11.45 H new ATOM 0 HB ILE A 32 17.433 8.576 3.768 1.00 51.52 H new ATOM 0 HG12 ILE A 32 15.103 9.307 3.380 1.00 14.11 H new ATOM 0 HG13 ILE A 32 16.278 10.495 2.853 1.00 14.11 H new ATOM 0 HG21 ILE A 32 18.467 9.707 1.838 1.00 53.51 H new ATOM 0 HG22 ILE A 32 18.874 7.975 1.880 1.00 53.51 H new ATOM 0 HG23 ILE A 32 17.646 8.573 0.738 1.00 53.51 H new ATOM 0 HD11 ILE A 32 14.457 10.287 1.233 1.00 64.21 H new ATOM 0 HD12 ILE A 32 15.996 9.757 0.514 1.00 64.21 H new ATOM 0 HD13 ILE A 32 14.802 8.551 1.048 1.00 64.21 H new ATOM 500 N ALA A 33 18.338 5.696 2.062 1.00 3.00 N ATOM 501 CA ALA A 33 19.418 4.745 2.293 1.00 24.11 C ATOM 502 C ALA A 33 20.769 5.450 2.345 1.00 44.33 C ATOM 503 O ALA A 33 21.309 5.855 1.315 1.00 55.14 O ATOM 504 CB ALA A 33 19.420 3.675 1.211 1.00 3.30 C ATOM 0 H ALA A 33 18.296 6.064 1.112 1.00 3.00 H new ATOM 0 HA ALA A 33 19.249 4.269 3.259 1.00 24.11 H new ATOM 0 HB1 ALA A 33 20.232 2.972 1.396 1.00 3.30 H new ATOM 0 HB2 ALA A 33 18.469 3.143 1.224 1.00 3.30 H new ATOM 0 HB3 ALA A 33 19.561 4.143 0.237 1.00 3.30 H new ATOM 510 N ARG A 34 21.311 5.595 3.550 1.00 74.21 N ATOM 511 CA ARG A 34 22.598 6.253 3.735 1.00 0.42 C ATOM 512 C ARG A 34 23.739 5.361 3.256 1.00 42.00 C ATOM 513 O ARG A 34 24.802 5.848 2.873 1.00 21.13 O ATOM 514 CB ARG A 34 22.803 6.615 5.208 1.00 73.34 C ATOM 515 CG ARG A 34 22.749 5.417 6.142 1.00 63.02 C ATOM 516 CD ARG A 34 23.064 5.814 7.575 1.00 2.25 C ATOM 517 NE ARG A 34 21.858 5.916 8.393 1.00 62.13 N ATOM 518 CZ ARG A 34 21.142 4.866 8.780 1.00 2.21 C ATOM 519 NH1 ARG A 34 21.509 3.642 8.427 1.00 44.24 N ATOM 520 NH2 ARG A 34 20.057 5.040 9.523 1.00 34.30 N ATOM 0 H ARG A 34 20.878 5.265 4.413 1.00 74.21 H new ATOM 0 HA ARG A 34 22.599 7.166 3.140 1.00 0.42 H new ATOM 0 HB2 ARG A 34 23.767 7.110 5.321 1.00 73.34 H new ATOM 0 HB3 ARG A 34 22.039 7.333 5.507 1.00 73.34 H new ATOM 0 HG2 ARG A 34 21.758 4.964 6.098 1.00 63.02 H new ATOM 0 HG3 ARG A 34 23.460 4.661 5.808 1.00 63.02 H new ATOM 0 HD2 ARG A 34 23.739 5.080 8.014 1.00 2.25 H new ATOM 0 HD3 ARG A 34 23.587 6.770 7.580 1.00 2.25 H new ATOM 0 HE ARG A 34 21.549 6.844 8.683 1.00 62.13 H new ATOM 0 HH11 ARG A 34 22.343 3.504 7.857 1.00 44.24 H new ATOM 0 HH12 ARG A 34 20.957 2.838 8.726 1.00 44.24 H new ATOM 0 HH21 ARG A 34 19.772 5.980 9.797 1.00 34.30 H new ATOM 0 HH22 ARG A 34 19.508 4.234 9.820 1.00 34.30 H new ATOM 534 N ASN A 35 23.510 4.052 3.281 1.00 64.02 N ATOM 535 CA ASN A 35 24.520 3.091 2.850 1.00 54.40 C ATOM 536 C ASN A 35 25.071 3.461 1.476 1.00 4.25 C ATOM 537 O ASN A 35 26.261 3.732 1.310 1.00 12.53 O ATOM 538 CB ASN A 35 23.928 1.681 2.811 1.00 14.02 C ATOM 539 CG ASN A 35 24.503 0.783 3.889 1.00 32.23 C ATOM 540 OD1 ASN A 35 24.384 1.070 5.081 1.00 71.24 O ATOM 541 ND2 ASN A 35 25.131 -0.311 3.475 1.00 73.43 N ATOM 0 H ASN A 35 22.635 3.632 3.595 1.00 64.02 H new ATOM 0 HA ASN A 35 25.339 3.115 3.569 1.00 54.40 H new ATOM 0 HB2 ASN A 35 22.846 1.741 2.930 1.00 14.02 H new ATOM 0 HB3 ASN A 35 24.117 1.237 1.833 1.00 14.02 H new ATOM 0 HD21 ASN A 35 25.539 -0.953 4.155 1.00 73.43 H new ATOM 0 HD22 ASN A 35 25.206 -0.509 2.477 1.00 73.43 H new ATOM 548 N PRO A 36 24.188 3.473 0.468 1.00 53.55 N ATOM 549 CA PRO A 36 24.563 3.810 -0.909 1.00 72.42 C ATOM 550 C PRO A 36 24.915 5.284 -1.070 1.00 44.43 C ATOM 551 O PRO A 36 24.672 6.106 -0.186 1.00 73.12 O ATOM 552 CB PRO A 36 23.305 3.470 -1.713 1.00 31.45 C ATOM 553 CG PRO A 36 22.188 3.585 -0.734 1.00 33.33 C ATOM 554 CD PRO A 36 22.754 3.161 0.593 1.00 23.30 C ATOM 0 HA PRO A 36 25.452 3.269 -1.233 1.00 72.42 H new ATOM 0 HB2 PRO A 36 23.171 4.157 -2.549 1.00 31.45 H new ATOM 0 HB3 PRO A 36 23.362 2.465 -2.132 1.00 31.45 H new ATOM 0 HG2 PRO A 36 21.812 4.607 -0.689 1.00 33.33 H new ATOM 0 HG3 PRO A 36 21.350 2.950 -1.022 1.00 33.33 H new ATOM 0 HD2 PRO A 36 22.295 3.705 1.418 1.00 23.30 H new ATOM 0 HD3 PRO A 36 22.588 2.100 0.780 1.00 23.30 H new ATOM 562 N PRO A 37 25.502 5.630 -2.226 1.00 5.54 N ATOM 563 CA PRO A 37 25.900 7.008 -2.530 1.00 1.22 C ATOM 564 C PRO A 37 24.700 7.922 -2.753 1.00 11.14 C ATOM 565 O PRO A 37 24.785 9.134 -2.555 1.00 72.55 O ATOM 566 CB PRO A 37 26.711 6.867 -3.820 1.00 62.42 C ATOM 567 CG PRO A 37 26.198 5.620 -4.455 1.00 44.31 C ATOM 568 CD PRO A 37 25.823 4.704 -3.324 1.00 31.50 C ATOM 0 HA PRO A 37 26.455 7.462 -1.709 1.00 1.22 H new ATOM 0 HB2 PRO A 37 26.572 7.730 -4.472 1.00 62.42 H new ATOM 0 HB3 PRO A 37 27.778 6.795 -3.611 1.00 62.42 H new ATOM 0 HG2 PRO A 37 25.336 5.831 -5.089 1.00 44.31 H new ATOM 0 HG3 PRO A 37 26.957 5.165 -5.091 1.00 44.31 H new ATOM 0 HD2 PRO A 37 24.970 4.076 -3.582 1.00 31.50 H new ATOM 0 HD3 PRO A 37 26.643 4.036 -3.059 1.00 31.50 H new ATOM 576 N GLY A 38 23.581 7.333 -3.165 1.00 24.03 N ATOM 577 CA GLY A 38 22.380 8.110 -3.407 1.00 73.30 C ATOM 578 C GLY A 38 21.188 7.240 -3.757 1.00 2.42 C ATOM 579 O GLY A 38 20.764 7.192 -4.911 1.00 73.35 O ATOM 0 H GLY A 38 23.485 6.332 -3.335 1.00 24.03 H new ATOM 0 HA2 GLY A 38 22.148 8.700 -2.520 1.00 73.30 H new ATOM 0 HA3 GLY A 38 22.563 8.814 -4.219 1.00 73.30 H new ATOM 583 N PHE A 39 20.648 6.550 -2.758 1.00 14.50 N ATOM 584 CA PHE A 39 19.499 5.676 -2.966 1.00 42.23 C ATOM 585 C PHE A 39 18.482 5.837 -1.841 1.00 13.33 C ATOM 586 O PHE A 39 18.843 5.888 -0.666 1.00 1.15 O ATOM 587 CB PHE A 39 19.952 4.217 -3.055 1.00 54.21 C ATOM 588 CG PHE A 39 19.495 3.523 -4.306 1.00 42.14 C ATOM 589 CD1 PHE A 39 19.833 4.023 -5.554 1.00 32.31 C ATOM 590 CD2 PHE A 39 18.729 2.371 -4.235 1.00 60.12 C ATOM 591 CE1 PHE A 39 19.413 3.386 -6.707 1.00 3.32 C ATOM 592 CE2 PHE A 39 18.307 1.730 -5.385 1.00 30.12 C ATOM 593 CZ PHE A 39 18.651 2.238 -6.622 1.00 74.22 C ATOM 0 H PHE A 39 20.987 6.579 -1.797 1.00 14.50 H new ATOM 0 HA PHE A 39 19.023 5.960 -3.905 1.00 42.23 H new ATOM 0 HB2 PHE A 39 21.040 4.179 -3.005 1.00 54.21 H new ATOM 0 HB3 PHE A 39 19.574 3.674 -2.189 1.00 54.21 H new ATOM 0 HD1 PHE A 39 20.431 4.920 -5.626 1.00 32.31 H new ATOM 0 HD2 PHE A 39 18.458 1.969 -3.270 1.00 60.12 H new ATOM 0 HE1 PHE A 39 19.681 3.786 -7.674 1.00 3.32 H new ATOM 0 HE2 PHE A 39 17.709 0.833 -5.316 1.00 30.12 H new ATOM 0 HZ PHE A 39 18.324 1.738 -7.522 1.00 74.22 H new ATOM 603 N ALA A 40 17.208 5.918 -2.210 1.00 74.11 N ATOM 604 CA ALA A 40 16.137 6.072 -1.233 1.00 22.23 C ATOM 605 C ALA A 40 14.968 5.145 -1.549 1.00 12.53 C ATOM 606 O ALA A 40 14.749 4.777 -2.703 1.00 53.50 O ATOM 607 CB ALA A 40 15.669 7.519 -1.186 1.00 61.22 C ATOM 0 H ALA A 40 16.892 5.880 -3.179 1.00 74.11 H new ATOM 0 HA ALA A 40 16.530 5.797 -0.254 1.00 22.23 H new ATOM 0 HB1 ALA A 40 14.869 7.619 -0.452 1.00 61.22 H new ATOM 0 HB2 ALA A 40 16.503 8.162 -0.904 1.00 61.22 H new ATOM 0 HB3 ALA A 40 15.299 7.814 -2.168 1.00 61.22 H new ATOM 613 N PHE A 41 14.220 4.771 -0.516 1.00 52.11 N ATOM 614 CA PHE A 41 13.073 3.886 -0.684 1.00 22.22 C ATOM 615 C PHE A 41 11.811 4.514 -0.099 1.00 62.35 C ATOM 616 O PHE A 41 11.866 5.229 0.901 1.00 31.42 O ATOM 617 CB PHE A 41 13.342 2.536 -0.015 1.00 11.34 C ATOM 618 CG PHE A 41 12.123 1.665 0.087 1.00 20.54 C ATOM 619 CD1 PHE A 41 11.661 0.966 -1.016 1.00 75.12 C ATOM 620 CD2 PHE A 41 11.440 1.543 1.287 1.00 41.32 C ATOM 621 CE1 PHE A 41 10.539 0.164 -0.925 1.00 73.31 C ATOM 622 CE2 PHE A 41 10.318 0.742 1.384 1.00 11.20 C ATOM 623 CZ PHE A 41 9.867 0.051 0.277 1.00 63.33 C ATOM 0 H PHE A 41 14.387 5.067 0.446 1.00 52.11 H new ATOM 0 HA PHE A 41 12.919 3.731 -1.752 1.00 22.22 H new ATOM 0 HB2 PHE A 41 14.111 2.007 -0.578 1.00 11.34 H new ATOM 0 HB3 PHE A 41 13.741 2.708 0.985 1.00 11.34 H new ATOM 0 HD1 PHE A 41 12.183 1.049 -1.958 1.00 75.12 H new ATOM 0 HD2 PHE A 41 11.789 2.080 2.157 1.00 41.32 H new ATOM 0 HE1 PHE A 41 10.188 -0.374 -1.793 1.00 73.31 H new ATOM 0 HE2 PHE A 41 9.794 0.657 2.325 1.00 11.20 H new ATOM 0 HZ PHE A 41 8.991 -0.576 0.350 1.00 63.33 H new ATOM 633 N VAL A 42 10.674 4.241 -0.732 1.00 44.54 N ATOM 634 CA VAL A 42 9.398 4.778 -0.276 1.00 51.43 C ATOM 635 C VAL A 42 8.321 3.699 -0.262 1.00 4.02 C ATOM 636 O VAL A 42 8.382 2.739 -1.029 1.00 32.45 O ATOM 637 CB VAL A 42 8.929 5.944 -1.167 1.00 72.03 C ATOM 638 CG1 VAL A 42 7.709 6.621 -0.562 1.00 53.40 C ATOM 639 CG2 VAL A 42 10.057 6.944 -1.373 1.00 74.25 C ATOM 0 H VAL A 42 10.611 3.651 -1.562 1.00 44.54 H new ATOM 0 HA VAL A 42 9.554 5.145 0.738 1.00 51.43 H new ATOM 0 HB VAL A 42 8.647 5.544 -2.141 1.00 72.03 H new ATOM 0 HG11 VAL A 42 7.392 7.442 -1.205 1.00 53.40 H new ATOM 0 HG12 VAL A 42 6.899 5.897 -0.471 1.00 53.40 H new ATOM 0 HG13 VAL A 42 7.960 7.009 0.425 1.00 53.40 H new ATOM 0 HG21 VAL A 42 9.708 7.761 -2.005 1.00 74.25 H new ATOM 0 HG22 VAL A 42 10.372 7.341 -0.408 1.00 74.25 H new ATOM 0 HG23 VAL A 42 10.900 6.448 -1.854 1.00 74.25 H new ATOM 649 N GLU A 43 7.337 3.865 0.616 1.00 74.22 N ATOM 650 CA GLU A 43 6.246 2.903 0.730 1.00 42.41 C ATOM 651 C GLU A 43 4.901 3.572 0.463 1.00 51.41 C ATOM 652 O GLU A 43 4.474 4.453 1.210 1.00 35.31 O ATOM 653 CB GLU A 43 6.243 2.264 2.120 1.00 4.53 C ATOM 654 CG GLU A 43 5.411 0.996 2.206 1.00 52.43 C ATOM 655 CD GLU A 43 6.052 -0.065 3.078 1.00 23.11 C ATOM 656 OE1 GLU A 43 7.205 -0.451 2.793 1.00 20.02 O ATOM 657 OE2 GLU A 43 5.401 -0.510 4.047 1.00 54.55 O ATOM 0 H GLU A 43 7.272 4.655 1.258 1.00 74.22 H new ATOM 0 HA GLU A 43 6.401 2.126 -0.019 1.00 42.41 H new ATOM 0 HB2 GLU A 43 7.269 2.035 2.407 1.00 4.53 H new ATOM 0 HB3 GLU A 43 5.863 2.987 2.842 1.00 4.53 H new ATOM 0 HG2 GLU A 43 4.425 1.239 2.602 1.00 52.43 H new ATOM 0 HG3 GLU A 43 5.262 0.595 1.203 1.00 52.43 H new ATOM 664 N PHE A 44 4.238 3.149 -0.608 1.00 64.43 N ATOM 665 CA PHE A 44 2.942 3.707 -0.976 1.00 24.11 C ATOM 666 C PHE A 44 1.807 2.807 -0.496 1.00 51.43 C ATOM 667 O PHE A 44 1.717 1.644 -0.885 1.00 64.53 O ATOM 668 CB PHE A 44 2.855 3.893 -2.492 1.00 60.12 C ATOM 669 CG PHE A 44 2.840 5.333 -2.920 1.00 22.24 C ATOM 670 CD1 PHE A 44 1.943 6.227 -2.358 1.00 72.31 C ATOM 671 CD2 PHE A 44 3.723 5.792 -3.883 1.00 45.23 C ATOM 672 CE1 PHE A 44 1.927 7.552 -2.749 1.00 13.41 C ATOM 673 CE2 PHE A 44 3.712 7.117 -4.278 1.00 24.33 C ATOM 674 CZ PHE A 44 2.812 7.998 -3.711 1.00 21.42 C ATOM 0 H PHE A 44 4.577 2.421 -1.237 1.00 64.43 H new ATOM 0 HA PHE A 44 2.841 4.678 -0.492 1.00 24.11 H new ATOM 0 HB2 PHE A 44 3.702 3.392 -2.961 1.00 60.12 H new ATOM 0 HB3 PHE A 44 1.953 3.404 -2.859 1.00 60.12 H new ATOM 0 HD1 PHE A 44 1.248 5.884 -1.606 1.00 72.31 H new ATOM 0 HD2 PHE A 44 4.428 5.107 -4.331 1.00 45.23 H new ATOM 0 HE1 PHE A 44 1.223 8.239 -2.303 1.00 13.41 H new ATOM 0 HE2 PHE A 44 4.407 7.463 -5.029 1.00 24.33 H new ATOM 0 HZ PHE A 44 2.800 9.033 -4.019 1.00 21.42 H new ATOM 684 N GLU A 45 0.943 3.357 0.351 1.00 35.33 N ATOM 685 CA GLU A 45 -0.186 2.604 0.885 1.00 33.42 C ATOM 686 C GLU A 45 -1.038 2.028 -0.242 1.00 54.13 C ATOM 687 O GLU A 45 -1.668 0.982 -0.087 1.00 32.32 O ATOM 688 CB GLU A 45 -1.045 3.497 1.783 1.00 22.33 C ATOM 689 CG GLU A 45 -1.691 4.658 1.047 1.00 14.02 C ATOM 690 CD GLU A 45 -2.038 5.812 1.968 1.00 43.00 C ATOM 691 OE1 GLU A 45 -3.102 5.752 2.618 1.00 14.42 O ATOM 692 OE2 GLU A 45 -1.245 6.774 2.038 1.00 10.22 O ATOM 0 H GLU A 45 1.003 4.320 0.682 1.00 35.33 H new ATOM 0 HA GLU A 45 0.209 1.778 1.477 1.00 33.42 H new ATOM 0 HB2 GLU A 45 -1.825 2.891 2.244 1.00 22.33 H new ATOM 0 HB3 GLU A 45 -0.426 3.889 2.590 1.00 22.33 H new ATOM 0 HG2 GLU A 45 -1.015 5.010 0.268 1.00 14.02 H new ATOM 0 HG3 GLU A 45 -2.596 4.310 0.550 1.00 14.02 H new ATOM 699 N ASP A 46 -1.053 2.720 -1.376 1.00 73.45 N ATOM 700 CA ASP A 46 -1.827 2.278 -2.531 1.00 12.20 C ATOM 701 C ASP A 46 -0.958 2.236 -3.784 1.00 20.21 C ATOM 702 O ASP A 46 -0.017 3.014 -3.943 1.00 71.20 O ATOM 703 CB ASP A 46 -3.022 3.206 -2.756 1.00 34.25 C ATOM 704 CG ASP A 46 -4.346 2.525 -2.468 1.00 21.21 C ATOM 705 OD1 ASP A 46 -4.370 1.607 -1.620 1.00 42.55 O ATOM 706 OD2 ASP A 46 -5.358 2.910 -3.090 1.00 31.44 O ATOM 0 H ASP A 46 -0.538 3.589 -1.520 1.00 73.45 H new ATOM 0 HA ASP A 46 -2.191 1.271 -2.329 1.00 12.20 H new ATOM 0 HB2 ASP A 46 -2.922 4.084 -2.118 1.00 34.25 H new ATOM 0 HB3 ASP A 46 -3.015 3.559 -3.787 1.00 34.25 H new ATOM 711 N PRO A 47 -1.278 1.305 -4.695 1.00 42.12 N ATOM 712 CA PRO A 47 -0.538 1.138 -5.950 1.00 10.43 C ATOM 713 C PRO A 47 -0.761 2.299 -6.913 1.00 54.11 C ATOM 714 O PRO A 47 0.187 2.825 -7.496 1.00 54.31 O ATOM 715 CB PRO A 47 -1.112 -0.157 -6.530 1.00 43.54 C ATOM 716 CG PRO A 47 -2.477 -0.262 -5.944 1.00 73.15 C ATOM 717 CD PRO A 47 -2.387 0.344 -4.571 1.00 43.14 C ATOM 0 HA PRO A 47 0.539 1.107 -5.788 1.00 10.43 H new ATOM 0 HB2 PRO A 47 -1.150 -0.120 -7.619 1.00 43.54 H new ATOM 0 HB3 PRO A 47 -0.499 -1.017 -6.261 1.00 43.54 H new ATOM 0 HG2 PRO A 47 -3.206 0.267 -6.557 1.00 73.15 H new ATOM 0 HG3 PRO A 47 -2.800 -1.302 -5.891 1.00 73.15 H new ATOM 0 HD2 PRO A 47 -3.317 0.837 -4.288 1.00 43.14 H new ATOM 0 HD3 PRO A 47 -2.182 -0.410 -3.811 1.00 43.14 H new ATOM 725 N ARG A 48 -2.020 2.694 -7.075 1.00 71.42 N ATOM 726 CA ARG A 48 -2.367 3.792 -7.969 1.00 34.02 C ATOM 727 C ARG A 48 -1.495 5.013 -7.693 1.00 52.44 C ATOM 728 O ARG A 48 -0.963 5.630 -8.617 1.00 31.51 O ATOM 729 CB ARG A 48 -3.844 4.160 -7.810 1.00 23.15 C ATOM 730 CG ARG A 48 -4.370 5.058 -8.917 1.00 35.11 C ATOM 731 CD ARG A 48 -5.829 5.425 -8.690 1.00 44.11 C ATOM 732 NE ARG A 48 -6.641 4.259 -8.354 1.00 61.11 N ATOM 733 CZ ARG A 48 -7.109 3.404 -9.257 1.00 44.20 C ATOM 734 NH1 ARG A 48 -6.845 3.584 -10.544 1.00 15.40 N ATOM 735 NH2 ARG A 48 -7.841 2.366 -8.873 1.00 42.32 N ATOM 0 H ARG A 48 -2.816 2.270 -6.599 1.00 71.42 H new ATOM 0 HA ARG A 48 -2.190 3.464 -8.993 1.00 34.02 H new ATOM 0 HB2 ARG A 48 -4.437 3.246 -7.783 1.00 23.15 H new ATOM 0 HB3 ARG A 48 -3.984 4.659 -6.851 1.00 23.15 H new ATOM 0 HG2 ARG A 48 -3.769 5.966 -8.967 1.00 35.11 H new ATOM 0 HG3 ARG A 48 -4.266 4.553 -9.877 1.00 35.11 H new ATOM 0 HD2 ARG A 48 -5.897 6.158 -7.886 1.00 44.11 H new ATOM 0 HD3 ARG A 48 -6.228 5.898 -9.588 1.00 44.11 H new ATOM 0 HE ARG A 48 -6.861 4.092 -7.372 1.00 61.11 H new ATOM 0 HH11 ARG A 48 -6.282 4.380 -10.843 1.00 15.40 H new ATOM 0 HH12 ARG A 48 -7.205 2.926 -11.235 1.00 15.40 H new ATOM 0 HH21 ARG A 48 -8.045 2.224 -7.884 1.00 42.32 H new ATOM 0 HH22 ARG A 48 -8.200 1.710 -9.567 1.00 42.32 H new ATOM 749 N ASP A 49 -1.354 5.358 -6.418 1.00 71.42 N ATOM 750 CA ASP A 49 -0.546 6.505 -6.021 1.00 33.13 C ATOM 751 C ASP A 49 0.898 6.339 -6.482 1.00 61.53 C ATOM 752 O ASP A 49 1.555 7.308 -6.861 1.00 13.13 O ATOM 753 CB ASP A 49 -0.592 6.687 -4.503 1.00 30.52 C ATOM 754 CG ASP A 49 -2.002 6.606 -3.952 1.00 73.02 C ATOM 755 OD1 ASP A 49 -2.951 6.914 -4.704 1.00 34.34 O ATOM 756 OD2 ASP A 49 -2.157 6.234 -2.770 1.00 40.43 O ATOM 0 H ASP A 49 -1.789 4.860 -5.642 1.00 71.42 H new ATOM 0 HA ASP A 49 -0.961 7.393 -6.499 1.00 33.13 H new ATOM 0 HB2 ASP A 49 0.024 5.923 -4.030 1.00 30.52 H new ATOM 0 HB3 ASP A 49 -0.158 7.652 -4.243 1.00 30.52 H new ATOM 761 N ALA A 50 1.387 5.103 -6.447 1.00 54.11 N ATOM 762 CA ALA A 50 2.753 4.810 -6.863 1.00 34.34 C ATOM 763 C ALA A 50 2.892 4.880 -8.379 1.00 62.05 C ATOM 764 O ALA A 50 3.879 5.402 -8.897 1.00 30.10 O ATOM 765 CB ALA A 50 3.176 3.439 -6.355 1.00 11.34 C ATOM 0 H ALA A 50 0.857 4.289 -6.135 1.00 54.11 H new ATOM 0 HA ALA A 50 3.409 5.565 -6.429 1.00 34.34 H new ATOM 0 HB1 ALA A 50 4.198 3.233 -6.673 1.00 11.34 H new ATOM 0 HB2 ALA A 50 3.124 3.422 -5.266 1.00 11.34 H new ATOM 0 HB3 ALA A 50 2.509 2.679 -6.762 1.00 11.34 H new ATOM 771 N GLU A 51 1.898 4.350 -9.086 1.00 2.42 N ATOM 772 CA GLU A 51 1.913 4.353 -10.544 1.00 34.51 C ATOM 773 C GLU A 51 1.971 5.778 -11.085 1.00 54.14 C ATOM 774 O GLU A 51 2.738 6.075 -12.001 1.00 71.23 O ATOM 775 CB GLU A 51 0.674 3.638 -11.089 1.00 42.23 C ATOM 776 CG GLU A 51 0.999 2.476 -12.013 1.00 41.52 C ATOM 777 CD GLU A 51 -0.101 1.433 -12.047 1.00 44.03 C ATOM 778 OE1 GLU A 51 -0.540 0.999 -10.962 1.00 1.45 O ATOM 779 OE2 GLU A 51 -0.521 1.050 -13.159 1.00 35.13 O ATOM 0 H GLU A 51 1.074 3.914 -8.673 1.00 2.42 H new ATOM 0 HA GLU A 51 2.806 3.822 -10.874 1.00 34.51 H new ATOM 0 HB2 GLU A 51 0.079 3.271 -10.253 1.00 42.23 H new ATOM 0 HB3 GLU A 51 0.057 4.358 -11.627 1.00 42.23 H new ATOM 0 HG2 GLU A 51 1.167 2.854 -13.021 1.00 41.52 H new ATOM 0 HG3 GLU A 51 1.929 2.008 -11.689 1.00 41.52 H new ATOM 786 N ASP A 52 1.154 6.656 -10.513 1.00 30.41 N ATOM 787 CA ASP A 52 1.112 8.050 -10.937 1.00 12.32 C ATOM 788 C ASP A 52 2.380 8.785 -10.514 1.00 41.23 C ATOM 789 O ASP A 52 3.005 9.478 -11.317 1.00 75.12 O ATOM 790 CB ASP A 52 -0.116 8.747 -10.349 1.00 12.30 C ATOM 791 CG ASP A 52 -1.213 8.951 -11.375 1.00 71.25 C ATOM 792 OD1 ASP A 52 -1.017 9.768 -12.299 1.00 22.11 O ATOM 793 OD2 ASP A 52 -2.268 8.293 -11.255 1.00 14.51 O ATOM 0 H ASP A 52 0.512 6.427 -9.754 1.00 30.41 H new ATOM 0 HA ASP A 52 1.047 8.071 -12.025 1.00 12.32 H new ATOM 0 HB2 ASP A 52 -0.504 8.155 -9.520 1.00 12.30 H new ATOM 0 HB3 ASP A 52 0.179 9.713 -9.940 1.00 12.30 H new ATOM 798 N ALA A 53 2.754 8.630 -9.249 1.00 22.25 N ATOM 799 CA ALA A 53 3.948 9.278 -8.720 1.00 20.43 C ATOM 800 C ALA A 53 5.188 8.870 -9.507 1.00 64.04 C ATOM 801 O ALA A 53 5.953 9.720 -9.964 1.00 24.31 O ATOM 802 CB ALA A 53 4.122 8.941 -7.246 1.00 41.31 C ATOM 0 H ALA A 53 2.247 8.061 -8.571 1.00 22.25 H new ATOM 0 HA ALA A 53 3.822 10.356 -8.823 1.00 20.43 H new ATOM 0 HB1 ALA A 53 5.017 9.431 -6.864 1.00 41.31 H new ATOM 0 HB2 ALA A 53 3.252 9.288 -6.688 1.00 41.31 H new ATOM 0 HB3 ALA A 53 4.221 7.862 -7.129 1.00 41.31 H new ATOM 808 N VAL A 54 5.382 7.564 -9.663 1.00 4.11 N ATOM 809 CA VAL A 54 6.530 7.044 -10.396 1.00 62.31 C ATOM 810 C VAL A 54 6.506 7.500 -11.851 1.00 21.24 C ATOM 811 O VAL A 54 7.508 7.984 -12.377 1.00 24.33 O ATOM 812 CB VAL A 54 6.573 5.505 -10.353 1.00 21.32 C ATOM 813 CG1 VAL A 54 7.694 4.976 -11.235 1.00 54.44 C ATOM 814 CG2 VAL A 54 6.736 5.017 -8.921 1.00 72.31 C ATOM 0 H VAL A 54 4.759 6.847 -9.291 1.00 4.11 H new ATOM 0 HA VAL A 54 7.422 7.439 -9.909 1.00 62.31 H new ATOM 0 HB VAL A 54 5.628 5.122 -10.739 1.00 21.32 H new ATOM 0 HG11 VAL A 54 7.708 3.887 -11.191 1.00 54.44 H new ATOM 0 HG12 VAL A 54 7.529 5.296 -12.264 1.00 54.44 H new ATOM 0 HG13 VAL A 54 8.649 5.366 -10.883 1.00 54.44 H new ATOM 0 HG21 VAL A 54 6.764 3.927 -8.909 1.00 72.31 H new ATOM 0 HG22 VAL A 54 7.665 5.409 -8.507 1.00 72.31 H new ATOM 0 HG23 VAL A 54 5.896 5.365 -8.320 1.00 72.31 H new ATOM 824 N ARG A 55 5.355 7.343 -12.495 1.00 75.42 N ATOM 825 CA ARG A 55 5.200 7.738 -13.890 1.00 34.31 C ATOM 826 C ARG A 55 5.619 9.191 -14.093 1.00 75.11 C ATOM 827 O ARG A 55 6.283 9.525 -15.073 1.00 25.22 O ATOM 828 CB ARG A 55 3.750 7.546 -14.338 1.00 54.34 C ATOM 829 CG ARG A 55 3.441 6.136 -14.815 1.00 15.52 C ATOM 830 CD ARG A 55 1.952 5.944 -15.058 1.00 13.42 C ATOM 831 NE ARG A 55 1.681 5.375 -16.375 1.00 21.40 N ATOM 832 CZ ARG A 55 0.459 5.224 -16.874 1.00 2.23 C ATOM 833 NH1 ARG A 55 -0.599 5.600 -16.169 1.00 10.11 N ATOM 834 NH2 ARG A 55 0.294 4.697 -18.080 1.00 50.53 N ATOM 0 H ARG A 55 4.516 6.945 -12.073 1.00 75.42 H new ATOM 0 HA ARG A 55 5.847 7.104 -14.496 1.00 34.31 H new ATOM 0 HB2 ARG A 55 3.087 7.793 -13.509 1.00 54.34 H new ATOM 0 HB3 ARG A 55 3.531 8.249 -15.142 1.00 54.34 H new ATOM 0 HG2 ARG A 55 3.990 5.933 -15.735 1.00 15.52 H new ATOM 0 HG3 ARG A 55 3.786 5.416 -14.073 1.00 15.52 H new ATOM 0 HD2 ARG A 55 1.541 5.290 -14.289 1.00 13.42 H new ATOM 0 HD3 ARG A 55 1.443 6.904 -14.966 1.00 13.42 H new ATOM 0 HE ARG A 55 2.474 5.077 -16.943 1.00 21.40 H new ATOM 0 HH11 ARG A 55 -0.476 6.006 -15.242 1.00 10.11 H new ATOM 0 HH12 ARG A 55 -1.536 5.483 -16.554 1.00 10.11 H new ATOM 0 HH21 ARG A 55 1.106 4.407 -18.625 1.00 50.53 H new ATOM 0 HH22 ARG A 55 -0.645 4.582 -18.462 1.00 50.53 H new ATOM 848 N GLY A 56 5.224 10.052 -13.160 1.00 34.54 N ATOM 849 CA GLY A 56 5.566 11.458 -13.255 1.00 4.40 C ATOM 850 C GLY A 56 6.993 11.738 -12.826 1.00 63.23 C ATOM 851 O GLY A 56 7.809 12.202 -13.623 1.00 43.55 O ATOM 0 H GLY A 56 4.673 9.800 -12.340 1.00 34.54 H new ATOM 0 HA2 GLY A 56 5.426 11.794 -14.282 1.00 4.40 H new ATOM 0 HA3 GLY A 56 4.883 12.038 -12.634 1.00 4.40 H new ATOM 855 N LEU A 57 7.296 11.456 -11.564 1.00 11.11 N ATOM 856 CA LEU A 57 8.634 11.681 -11.029 1.00 44.44 C ATOM 857 C LEU A 57 9.699 11.155 -11.987 1.00 52.40 C ATOM 858 O LEU A 57 10.667 11.850 -12.297 1.00 53.13 O ATOM 859 CB LEU A 57 8.781 11.005 -9.665 1.00 53.21 C ATOM 860 CG LEU A 57 8.326 11.825 -8.457 1.00 42.43 C ATOM 861 CD1 LEU A 57 9.354 12.895 -8.121 1.00 30.31 C ATOM 862 CD2 LEU A 57 6.966 12.455 -8.721 1.00 61.33 C ATOM 0 H LEU A 57 6.633 11.071 -10.892 1.00 11.11 H new ATOM 0 HA LEU A 57 8.775 12.755 -10.912 1.00 44.44 H new ATOM 0 HB2 LEU A 57 8.215 10.074 -9.681 1.00 53.21 H new ATOM 0 HB3 LEU A 57 9.829 10.739 -9.525 1.00 53.21 H new ATOM 0 HG LEU A 57 8.234 11.156 -7.602 1.00 42.43 H new ATOM 0 HD11 LEU A 57 9.014 13.469 -7.259 1.00 30.31 H new ATOM 0 HD12 LEU A 57 10.308 12.422 -7.888 1.00 30.31 H new ATOM 0 HD13 LEU A 57 9.478 13.562 -8.975 1.00 30.31 H new ATOM 0 HD21 LEU A 57 6.658 13.035 -7.851 1.00 61.33 H new ATOM 0 HD22 LEU A 57 7.031 13.111 -9.589 1.00 61.33 H new ATOM 0 HD23 LEU A 57 6.233 11.671 -8.913 1.00 61.33 H new ATOM 874 N ASP A 58 9.512 9.926 -12.453 1.00 72.34 N ATOM 875 CA ASP A 58 10.454 9.307 -13.379 1.00 2.42 C ATOM 876 C ASP A 58 10.210 9.789 -14.806 1.00 32.14 C ATOM 877 O ASP A 58 11.142 9.906 -15.600 1.00 74.33 O ATOM 878 CB ASP A 58 10.339 7.784 -13.315 1.00 23.41 C ATOM 879 CG ASP A 58 9.686 7.200 -14.552 1.00 72.10 C ATOM 880 OD1 ASP A 58 10.366 7.109 -15.595 1.00 41.31 O ATOM 881 OD2 ASP A 58 8.494 6.834 -14.477 1.00 52.34 O ATOM 0 H ASP A 58 8.716 9.338 -12.205 1.00 72.34 H new ATOM 0 HA ASP A 58 11.461 9.600 -13.083 1.00 2.42 H new ATOM 0 HB2 ASP A 58 11.333 7.352 -13.194 1.00 23.41 H new ATOM 0 HB3 ASP A 58 9.760 7.503 -12.435 1.00 23.41 H new ATOM 886 N GLY A 59 8.949 10.066 -15.124 1.00 11.23 N ATOM 887 CA GLY A 59 8.604 10.530 -16.455 1.00 5.42 C ATOM 888 C GLY A 59 9.460 11.700 -16.900 1.00 70.34 C ATOM 889 O GLY A 59 9.972 11.714 -18.020 1.00 74.32 O ATOM 0 H GLY A 59 8.160 9.977 -14.483 1.00 11.23 H new ATOM 0 HA2 GLY A 59 8.718 9.710 -17.164 1.00 5.42 H new ATOM 0 HA3 GLY A 59 7.554 10.824 -16.474 1.00 5.42 H new ATOM 893 N LYS A 60 9.615 12.685 -16.023 1.00 43.30 N ATOM 894 CA LYS A 60 10.414 13.866 -16.331 1.00 23.41 C ATOM 895 C LYS A 60 11.123 14.383 -15.083 1.00 51.44 C ATOM 896 O LYS A 60 11.192 13.695 -14.065 1.00 61.44 O ATOM 897 CB LYS A 60 9.530 14.966 -16.922 1.00 34.35 C ATOM 898 CG LYS A 60 9.853 15.295 -18.369 1.00 33.33 C ATOM 899 CD LYS A 60 11.248 15.879 -18.510 1.00 1.35 C ATOM 900 CE LYS A 60 11.259 17.372 -18.218 1.00 0.11 C ATOM 901 NZ LYS A 60 11.235 18.182 -19.468 1.00 21.44 N ATOM 0 H LYS A 60 9.198 12.690 -15.092 1.00 43.30 H new ATOM 0 HA LYS A 60 11.168 13.583 -17.065 1.00 23.41 H new ATOM 0 HB2 LYS A 60 8.487 14.658 -16.852 1.00 34.35 H new ATOM 0 HB3 LYS A 60 9.637 15.869 -16.320 1.00 34.35 H new ATOM 0 HG2 LYS A 60 9.772 14.393 -18.975 1.00 33.33 H new ATOM 0 HG3 LYS A 60 9.120 16.004 -18.754 1.00 33.33 H new ATOM 0 HD2 LYS A 60 11.928 15.369 -17.828 1.00 1.35 H new ATOM 0 HD3 LYS A 60 11.617 15.702 -19.520 1.00 1.35 H new ATOM 0 HE2 LYS A 60 10.396 17.628 -17.603 1.00 0.11 H new ATOM 0 HE3 LYS A 60 12.149 17.622 -17.640 1.00 0.11 H new ATOM 0 HZ1 LYS A 60 11.243 19.194 -19.226 1.00 21.44 H new ATOM 0 HZ2 LYS A 60 12.071 17.957 -20.044 1.00 21.44 H new ATOM 0 HZ3 LYS A 60 10.374 17.962 -20.008 1.00 21.44 H new ATOM 915 N VAL A 61 11.647 15.602 -15.169 1.00 22.01 N ATOM 916 CA VAL A 61 12.348 16.213 -14.046 1.00 42.20 C ATOM 917 C VAL A 61 11.391 17.017 -13.173 1.00 25.24 C ATOM 918 O VAL A 61 10.502 17.703 -13.677 1.00 43.13 O ATOM 919 CB VAL A 61 13.484 17.136 -14.528 1.00 75.32 C ATOM 920 CG1 VAL A 61 14.137 17.840 -13.349 1.00 31.22 C ATOM 921 CG2 VAL A 61 14.511 16.344 -15.323 1.00 41.42 C ATOM 0 H VAL A 61 11.599 16.185 -16.004 1.00 22.01 H new ATOM 0 HA VAL A 61 12.775 15.400 -13.459 1.00 42.20 H new ATOM 0 HB VAL A 61 13.059 17.896 -15.183 1.00 75.32 H new ATOM 0 HG11 VAL A 61 14.937 18.487 -13.709 1.00 31.22 H new ATOM 0 HG12 VAL A 61 13.393 18.440 -12.826 1.00 31.22 H new ATOM 0 HG13 VAL A 61 14.551 17.098 -12.666 1.00 31.22 H new ATOM 0 HG21 VAL A 61 15.306 17.011 -15.656 1.00 41.42 H new ATOM 0 HG22 VAL A 61 14.934 15.561 -14.693 1.00 41.42 H new ATOM 0 HG23 VAL A 61 14.030 15.892 -16.190 1.00 41.42 H new ATOM 931 N ILE A 62 11.580 16.927 -11.860 1.00 43.24 N ATOM 932 CA ILE A 62 10.735 17.648 -10.917 1.00 32.44 C ATOM 933 C ILE A 62 11.539 18.682 -10.137 1.00 21.15 C ATOM 934 O ILE A 62 12.496 18.342 -9.439 1.00 14.21 O ATOM 935 CB ILE A 62 10.055 16.687 -9.923 1.00 73.03 C ATOM 936 CG1 ILE A 62 9.370 17.476 -8.805 1.00 22.51 C ATOM 937 CG2 ILE A 62 11.072 15.714 -9.347 1.00 21.14 C ATOM 938 CD1 ILE A 62 10.151 17.488 -7.509 1.00 74.41 C ATOM 0 H ILE A 62 12.310 16.362 -11.426 1.00 43.24 H new ATOM 0 HA ILE A 62 9.969 18.155 -11.503 1.00 32.44 H new ATOM 0 HB ILE A 62 9.296 16.114 -10.455 1.00 73.03 H new ATOM 0 HG12 ILE A 62 9.217 18.503 -9.137 1.00 22.51 H new ATOM 0 HG13 ILE A 62 8.384 17.050 -8.622 1.00 22.51 H new ATOM 0 HG21 ILE A 62 10.576 15.042 -8.647 1.00 21.14 H new ATOM 0 HG22 ILE A 62 11.517 15.133 -10.154 1.00 21.14 H new ATOM 0 HG23 ILE A 62 11.852 16.269 -8.826 1.00 21.14 H new ATOM 0 HD11 ILE A 62 9.607 18.065 -6.761 1.00 74.41 H new ATOM 0 HD12 ILE A 62 10.282 16.466 -7.154 1.00 74.41 H new ATOM 0 HD13 ILE A 62 11.128 17.942 -7.677 1.00 74.41 H new ATOM 950 N CYS A 63 11.144 19.944 -10.258 1.00 2.32 N ATOM 951 CA CYS A 63 11.828 21.029 -9.563 1.00 12.50 C ATOM 952 C CYS A 63 13.338 20.931 -9.754 1.00 52.41 C ATOM 953 O CYS A 63 14.102 21.016 -8.794 1.00 2.22 O ATOM 954 CB CYS A 63 11.487 21.003 -8.072 1.00 63.33 C ATOM 955 SG CYS A 63 11.568 22.620 -7.268 1.00 34.14 S ATOM 0 H CYS A 63 10.354 20.242 -10.831 1.00 2.32 H new ATOM 0 HA CYS A 63 11.487 21.972 -9.990 1.00 12.50 H new ATOM 0 HB2 CYS A 63 10.483 20.597 -7.947 1.00 63.33 H new ATOM 0 HB3 CYS A 63 12.172 20.323 -7.565 1.00 63.33 H new ATOM 0 HG CYS A 63 11.262 22.495 -6.011 1.00 34.14 H new ATOM 961 N GLY A 64 13.761 20.750 -11.002 1.00 11.44 N ATOM 962 CA GLY A 64 15.178 20.642 -11.296 1.00 32.41 C ATOM 963 C GLY A 64 15.807 19.411 -10.673 1.00 14.22 C ATOM 964 O GLY A 64 16.995 19.408 -10.353 1.00 63.52 O ATOM 0 H GLY A 64 13.148 20.676 -11.814 1.00 11.44 H new ATOM 0 HA2 GLY A 64 15.321 20.612 -12.376 1.00 32.41 H new ATOM 0 HA3 GLY A 64 15.691 21.532 -10.931 1.00 32.41 H new ATOM 968 N SER A 65 15.007 18.364 -10.498 1.00 70.10 N ATOM 969 CA SER A 65 15.491 17.123 -9.904 1.00 10.44 C ATOM 970 C SER A 65 15.167 15.930 -10.797 1.00 54.11 C ATOM 971 O SER A 65 14.046 15.419 -10.787 1.00 5.33 O ATOM 972 CB SER A 65 14.872 16.921 -8.519 1.00 4.30 C ATOM 973 OG SER A 65 14.950 18.107 -7.748 1.00 1.54 O ATOM 0 H SER A 65 14.021 18.350 -10.759 1.00 70.10 H new ATOM 0 HA SER A 65 16.574 17.195 -9.804 1.00 10.44 H new ATOM 0 HB2 SER A 65 13.830 16.619 -8.623 1.00 4.30 H new ATOM 0 HB3 SER A 65 15.388 16.112 -8.001 1.00 4.30 H new ATOM 0 HG SER A 65 14.184 18.682 -7.954 1.00 1.54 H new ATOM 979 N ARG A 66 16.155 15.491 -11.569 1.00 41.24 N ATOM 980 CA ARG A 66 15.976 14.359 -12.470 1.00 52.14 C ATOM 981 C ARG A 66 16.258 13.043 -11.752 1.00 65.23 C ATOM 982 O ARG A 66 17.009 12.202 -12.248 1.00 35.31 O ATOM 983 CB ARG A 66 16.894 14.497 -13.686 1.00 23.11 C ATOM 984 CG ARG A 66 18.373 14.517 -13.333 1.00 74.00 C ATOM 985 CD ARG A 66 19.125 13.389 -14.021 1.00 31.40 C ATOM 986 NE ARG A 66 20.346 13.029 -13.306 1.00 2.05 N ATOM 987 CZ ARG A 66 21.136 12.021 -13.660 1.00 12.23 C ATOM 988 NH1 ARG A 66 20.834 11.277 -14.715 1.00 13.23 N ATOM 989 NH2 ARG A 66 22.230 11.756 -12.958 1.00 45.22 N ATOM 0 H ARG A 66 17.088 15.902 -11.589 1.00 41.24 H new ATOM 0 HA ARG A 66 14.939 14.354 -12.806 1.00 52.14 H new ATOM 0 HB2 ARG A 66 16.703 13.670 -14.370 1.00 23.11 H new ATOM 0 HB3 ARG A 66 16.643 15.415 -14.218 1.00 23.11 H new ATOM 0 HG2 ARG A 66 18.805 15.474 -13.624 1.00 74.00 H new ATOM 0 HG3 ARG A 66 18.492 14.429 -12.253 1.00 74.00 H new ATOM 0 HD2 ARG A 66 18.478 12.515 -14.096 1.00 31.40 H new ATOM 0 HD3 ARG A 66 19.376 13.688 -15.039 1.00 31.40 H new ATOM 0 HE ARG A 66 20.607 13.582 -12.490 1.00 2.05 H new ATOM 0 HH11 ARG A 66 19.994 11.478 -15.257 1.00 13.23 H new ATOM 0 HH12 ARG A 66 21.442 10.504 -14.985 1.00 13.23 H new ATOM 0 HH21 ARG A 66 22.465 12.326 -12.146 1.00 45.22 H new ATOM 0 HH22 ARG A 66 22.836 10.982 -13.231 1.00 45.22 H new ATOM 1003 N VAL A 67 15.653 12.871 -10.581 1.00 42.53 N ATOM 1004 CA VAL A 67 15.839 11.658 -9.795 1.00 21.21 C ATOM 1005 C VAL A 67 15.299 10.437 -10.532 1.00 13.52 C ATOM 1006 O VAL A 67 14.454 10.559 -11.419 1.00 42.13 O ATOM 1007 CB VAL A 67 15.145 11.765 -8.424 1.00 53.33 C ATOM 1008 CG1 VAL A 67 15.593 10.637 -7.508 1.00 63.23 C ATOM 1009 CG2 VAL A 67 15.424 13.120 -7.791 1.00 31.01 C ATOM 0 H VAL A 67 15.029 13.557 -10.156 1.00 42.53 H new ATOM 0 HA VAL A 67 16.912 11.542 -9.642 1.00 21.21 H new ATOM 0 HB VAL A 67 14.069 11.673 -8.573 1.00 53.33 H new ATOM 0 HG11 VAL A 67 15.092 10.730 -6.545 1.00 63.23 H new ATOM 0 HG12 VAL A 67 15.337 9.678 -7.959 1.00 63.23 H new ATOM 0 HG13 VAL A 67 16.672 10.693 -7.363 1.00 63.23 H new ATOM 0 HG21 VAL A 67 14.926 13.179 -6.823 1.00 31.01 H new ATOM 0 HG22 VAL A 67 16.498 13.244 -7.655 1.00 31.01 H new ATOM 0 HG23 VAL A 67 15.047 13.910 -8.441 1.00 31.01 H new ATOM 1019 N ARG A 68 15.791 9.261 -10.158 1.00 1.15 N ATOM 1020 CA ARG A 68 15.358 8.018 -10.783 1.00 62.44 C ATOM 1021 C ARG A 68 14.480 7.208 -9.834 1.00 24.23 C ATOM 1022 O ARG A 68 14.976 6.576 -8.900 1.00 74.14 O ATOM 1023 CB ARG A 68 16.570 7.187 -11.208 1.00 63.41 C ATOM 1024 CG ARG A 68 16.431 6.568 -12.589 1.00 74.43 C ATOM 1025 CD ARG A 68 15.646 5.266 -12.540 1.00 23.35 C ATOM 1026 NE ARG A 68 15.226 4.829 -13.868 1.00 71.12 N ATOM 1027 CZ ARG A 68 16.051 4.295 -14.761 1.00 61.45 C ATOM 1028 NH1 ARG A 68 17.334 4.132 -14.469 1.00 60.54 N ATOM 1029 NH2 ARG A 68 15.593 3.922 -15.950 1.00 22.33 N ATOM 0 H ARG A 68 16.490 9.143 -9.425 1.00 1.15 H new ATOM 0 HA ARG A 68 14.771 8.271 -11.666 1.00 62.44 H new ATOM 0 HB2 ARG A 68 17.458 7.820 -11.190 1.00 63.41 H new ATOM 0 HB3 ARG A 68 16.730 6.393 -10.478 1.00 63.41 H new ATOM 0 HG2 ARG A 68 15.931 7.271 -13.255 1.00 74.43 H new ATOM 0 HG3 ARG A 68 17.420 6.382 -13.007 1.00 74.43 H new ATOM 0 HD2 ARG A 68 16.259 4.491 -12.080 1.00 23.35 H new ATOM 0 HD3 ARG A 68 14.768 5.396 -11.907 1.00 23.35 H new ATOM 0 HE ARG A 68 14.245 4.940 -14.124 1.00 71.12 H new ATOM 0 HH11 ARG A 68 17.690 4.417 -13.556 1.00 60.54 H new ATOM 0 HH12 ARG A 68 17.965 3.722 -15.157 1.00 60.54 H new ATOM 0 HH21 ARG A 68 14.607 4.046 -16.178 1.00 22.33 H new ATOM 0 HH22 ARG A 68 16.228 3.512 -16.635 1.00 22.33 H new ATOM 1043 N VAL A 69 13.174 7.232 -10.078 1.00 71.10 N ATOM 1044 CA VAL A 69 12.227 6.500 -9.245 1.00 72.05 C ATOM 1045 C VAL A 69 11.572 5.366 -10.026 1.00 33.34 C ATOM 1046 O VAL A 69 11.272 5.507 -11.210 1.00 55.24 O ATOM 1047 CB VAL A 69 11.130 7.429 -8.694 1.00 13.45 C ATOM 1048 CG1 VAL A 69 10.578 8.319 -9.797 1.00 42.03 C ATOM 1049 CG2 VAL A 69 10.018 6.616 -8.048 1.00 2.03 C ATOM 0 H VAL A 69 12.747 7.750 -10.846 1.00 71.10 H new ATOM 0 HA VAL A 69 12.793 6.084 -8.411 1.00 72.05 H new ATOM 0 HB VAL A 69 11.572 8.070 -7.931 1.00 13.45 H new ATOM 0 HG11 VAL A 69 9.804 8.968 -9.388 1.00 42.03 H new ATOM 0 HG12 VAL A 69 11.382 8.929 -10.209 1.00 42.03 H new ATOM 0 HG13 VAL A 69 10.152 7.699 -10.586 1.00 42.03 H new ATOM 0 HG21 VAL A 69 9.251 7.289 -7.664 1.00 2.03 H new ATOM 0 HG22 VAL A 69 9.577 5.949 -8.789 1.00 2.03 H new ATOM 0 HG23 VAL A 69 10.428 6.027 -7.227 1.00 2.03 H new ATOM 1059 N GLU A 70 11.353 4.241 -9.352 1.00 34.21 N ATOM 1060 CA GLU A 70 10.733 3.082 -9.983 1.00 72.41 C ATOM 1061 C GLU A 70 9.900 2.294 -8.976 1.00 21.13 C ATOM 1062 O GLU A 70 10.030 2.480 -7.765 1.00 24.40 O ATOM 1063 CB GLU A 70 11.802 2.175 -10.597 1.00 54.35 C ATOM 1064 CG GLU A 70 11.532 1.813 -12.048 1.00 74.31 C ATOM 1065 CD GLU A 70 12.388 0.658 -12.530 1.00 21.11 C ATOM 1066 OE1 GLU A 70 13.438 0.397 -11.907 1.00 30.44 O ATOM 1067 OE2 GLU A 70 12.008 0.015 -13.531 1.00 14.11 O ATOM 0 H GLU A 70 11.596 4.108 -8.370 1.00 34.21 H new ATOM 0 HA GLU A 70 10.073 3.441 -10.773 1.00 72.41 H new ATOM 0 HB2 GLU A 70 12.770 2.671 -10.529 1.00 54.35 H new ATOM 0 HB3 GLU A 70 11.871 1.259 -10.010 1.00 54.35 H new ATOM 0 HG2 GLU A 70 10.480 1.554 -12.164 1.00 74.31 H new ATOM 0 HG3 GLU A 70 11.717 2.684 -12.676 1.00 74.31 H new ATOM 1074 N LEU A 71 9.044 1.414 -9.484 1.00 1.30 N ATOM 1075 CA LEU A 71 8.189 0.598 -8.630 1.00 32.42 C ATOM 1076 C LEU A 71 8.642 -0.859 -8.638 1.00 41.34 C ATOM 1077 O LEU A 71 8.841 -1.451 -9.699 1.00 31.21 O ATOM 1078 CB LEU A 71 6.733 0.693 -9.091 1.00 44.41 C ATOM 1079 CG LEU A 71 6.329 -0.239 -10.233 1.00 74.13 C ATOM 1080 CD1 LEU A 71 4.824 -0.198 -10.448 1.00 54.00 C ATOM 1081 CD2 LEU A 71 7.062 0.135 -11.513 1.00 2.31 C ATOM 0 H LEU A 71 8.924 1.248 -10.483 1.00 1.30 H new ATOM 0 HA LEU A 71 8.267 0.978 -7.611 1.00 32.42 H new ATOM 0 HB2 LEU A 71 6.088 0.489 -8.236 1.00 44.41 H new ATOM 0 HB3 LEU A 71 6.537 1.720 -9.400 1.00 44.41 H new ATOM 0 HG LEU A 71 6.610 -1.257 -9.962 1.00 74.13 H new ATOM 0 HD11 LEU A 71 4.555 -0.868 -11.265 1.00 54.00 H new ATOM 0 HD12 LEU A 71 4.317 -0.516 -9.537 1.00 54.00 H new ATOM 0 HD13 LEU A 71 4.520 0.819 -10.697 1.00 54.00 H new ATOM 0 HD21 LEU A 71 6.761 -0.540 -12.315 1.00 2.31 H new ATOM 0 HD22 LEU A 71 6.813 1.160 -11.789 1.00 2.31 H new ATOM 0 HD23 LEU A 71 8.137 0.053 -11.354 1.00 2.31 H new ATOM 1093 N SER A 72 8.802 -1.431 -7.449 1.00 55.51 N ATOM 1094 CA SER A 72 9.233 -2.817 -7.319 1.00 72.54 C ATOM 1095 C SER A 72 8.099 -3.774 -7.676 1.00 21.44 C ATOM 1096 O SER A 72 8.264 -4.670 -8.504 1.00 74.52 O ATOM 1097 CB SER A 72 9.718 -3.092 -5.895 1.00 2.33 C ATOM 1098 OG SER A 72 10.976 -3.744 -5.901 1.00 61.12 O ATOM 0 H SER A 72 8.639 -0.955 -6.562 1.00 55.51 H new ATOM 0 HA SER A 72 10.057 -2.982 -8.013 1.00 72.54 H new ATOM 0 HB2 SER A 72 9.794 -2.153 -5.346 1.00 2.33 H new ATOM 0 HB3 SER A 72 8.988 -3.709 -5.372 1.00 2.33 H new ATOM 0 HG SER A 72 11.577 -3.301 -5.267 1.00 61.12 H new