USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=8 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 Set 1.1: A 4 TYR OH : rot 30:sc= 0.127 USER MOD Set 1.2: A 72 SER OG : rot 122:sc= 1.15 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.69) 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 30:sc= -0.234 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.044) 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 90:sc= -0.0891 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.429 -0.316 -1.815 1.00 74.11 N ATOM 19 CA LYS A 2 5.870 -0.154 -1.667 1.00 61.03 C ATOM 20 C LYS A 2 6.448 0.658 -2.822 1.00 75.13 C ATOM 21 O LYS A 2 6.069 0.468 -3.978 1.00 53.12 O ATOM 22 CB LYS A 2 6.554 -1.522 -1.600 1.00 14.44 C ATOM 23 CG LYS A 2 6.716 -2.051 -0.185 1.00 72.13 C ATOM 24 CD LYS A 2 7.347 -3.433 -0.176 1.00 75.53 C ATOM 25 CE LYS A 2 6.742 -4.315 0.906 1.00 3.21 C ATOM 26 NZ LYS A 2 6.767 -5.755 0.527 1.00 52.32 N ATOM 0 HA LYS A 2 6.056 0.385 -0.738 1.00 61.03 H new ATOM 0 HB2 LYS A 2 5.974 -2.238 -2.183 1.00 14.44 H new ATOM 0 HB3 LYS A 2 7.536 -1.451 -2.067 1.00 14.44 H new ATOM 0 HG2 LYS A 2 7.334 -1.364 0.393 1.00 72.13 H new ATOM 0 HG3 LYS A 2 5.742 -2.091 0.303 1.00 72.13 H new ATOM 0 HD2 LYS A 2 7.209 -3.903 -1.150 1.00 75.53 H new ATOM 0 HD3 LYS A 2 8.421 -3.343 -0.015 1.00 75.53 H new ATOM 0 HE2 LYS A 2 7.291 -4.175 1.837 1.00 3.21 H new ATOM 0 HE3 LYS A 2 5.713 -4.007 1.093 1.00 3.21 H new ATOM 0 HZ1 LYS A 2 6.346 -6.322 1.290 1.00 52.32 H new ATOM 0 HZ2 LYS A 2 6.222 -5.893 -0.348 1.00 52.32 H new ATOM 0 HZ3 LYS A 2 7.750 -6.057 0.374 1.00 52.32 H new ATOM 40 N VAL A 3 7.368 1.562 -2.502 1.00 55.42 N ATOM 41 CA VAL A 3 7.999 2.401 -3.514 1.00 2.44 C ATOM 42 C VAL A 3 9.515 2.406 -3.355 1.00 65.11 C ATOM 43 O VAL A 3 10.034 2.332 -2.241 1.00 11.43 O ATOM 44 CB VAL A 3 7.482 3.851 -3.443 1.00 64.33 C ATOM 45 CG1 VAL A 3 7.714 4.565 -4.766 1.00 74.12 C ATOM 46 CG2 VAL A 3 6.009 3.873 -3.066 1.00 72.35 C ATOM 0 H VAL A 3 7.693 1.732 -1.550 1.00 55.42 H new ATOM 0 HA VAL A 3 7.739 1.977 -4.484 1.00 2.44 H new ATOM 0 HB VAL A 3 8.039 4.380 -2.670 1.00 64.33 H new ATOM 0 HG11 VAL A 3 7.343 5.588 -4.698 1.00 74.12 H new ATOM 0 HG12 VAL A 3 8.781 4.580 -4.989 1.00 74.12 H new ATOM 0 HG13 VAL A 3 7.185 4.039 -5.561 1.00 74.12 H new ATOM 0 HG21 VAL A 3 5.660 4.905 -3.020 1.00 72.35 H new ATOM 0 HG22 VAL A 3 5.434 3.328 -3.815 1.00 72.35 H new ATOM 0 HG23 VAL A 3 5.876 3.402 -2.092 1.00 72.35 H new ATOM 56 N TYR A 4 10.222 2.493 -4.477 1.00 14.02 N ATOM 57 CA TYR A 4 11.680 2.505 -4.463 1.00 55.31 C ATOM 58 C TYR A 4 12.221 3.717 -5.216 1.00 63.40 C ATOM 59 O TYR A 4 12.215 3.751 -6.447 1.00 12.44 O ATOM 60 CB TYR A 4 12.227 1.219 -5.083 1.00 61.31 C ATOM 61 CG TYR A 4 12.036 -0.002 -4.212 1.00 21.30 C ATOM 62 CD1 TYR A 4 12.272 0.052 -2.844 1.00 21.00 C ATOM 63 CD2 TYR A 4 11.618 -1.210 -4.757 1.00 64.32 C ATOM 64 CE1 TYR A 4 12.100 -1.061 -2.045 1.00 34.34 C ATOM 65 CE2 TYR A 4 11.442 -2.328 -3.965 1.00 72.42 C ATOM 66 CZ TYR A 4 11.684 -2.249 -2.610 1.00 1.03 C ATOM 67 OH TYR A 4 11.510 -3.360 -1.817 1.00 13.14 O ATOM 0 H TYR A 4 9.809 2.556 -5.407 1.00 14.02 H new ATOM 0 HA TYR A 4 12.008 2.568 -3.426 1.00 55.31 H new ATOM 0 HB2 TYR A 4 11.737 1.051 -6.042 1.00 61.31 H new ATOM 0 HB3 TYR A 4 13.290 1.347 -5.286 1.00 61.31 H new ATOM 0 HD1 TYR A 4 12.596 0.981 -2.398 1.00 21.00 H new ATOM 0 HD2 TYR A 4 11.427 -1.276 -5.818 1.00 64.32 H new ATOM 0 HE1 TYR A 4 12.290 -1.002 -0.984 1.00 34.34 H new ATOM 0 HE2 TYR A 4 11.117 -3.259 -4.405 1.00 72.42 H new ATOM 0 HH TYR A 4 11.249 -3.080 -0.915 1.00 13.14 H new ATOM 77 N VAL A 5 12.691 4.709 -4.467 1.00 52.30 N ATOM 78 CA VAL A 5 13.238 5.923 -5.062 1.00 24.33 C ATOM 79 C VAL A 5 14.732 6.046 -4.783 1.00 22.52 C ATOM 80 O VAL A 5 15.141 6.403 -3.679 1.00 11.40 O ATOM 81 CB VAL A 5 12.523 7.180 -4.532 1.00 23.43 C ATOM 82 CG1 VAL A 5 11.196 7.380 -5.246 1.00 54.24 C ATOM 83 CG2 VAL A 5 12.319 7.081 -3.027 1.00 51.45 C ATOM 0 H VAL A 5 12.704 4.696 -3.447 1.00 52.30 H new ATOM 0 HA VAL A 5 13.076 5.849 -6.137 1.00 24.33 H new ATOM 0 HB VAL A 5 13.151 8.047 -4.735 1.00 23.43 H new ATOM 0 HG11 VAL A 5 10.705 8.273 -4.858 1.00 54.24 H new ATOM 0 HG12 VAL A 5 11.372 7.498 -6.315 1.00 54.24 H new ATOM 0 HG13 VAL A 5 10.558 6.513 -5.077 1.00 54.24 H new ATOM 0 HG21 VAL A 5 11.813 7.977 -2.669 1.00 51.45 H new ATOM 0 HG22 VAL A 5 11.711 6.205 -2.799 1.00 51.45 H new ATOM 0 HG23 VAL A 5 13.287 6.990 -2.534 1.00 51.45 H new ATOM 93 N GLY A 6 15.544 5.746 -5.793 1.00 10.35 N ATOM 94 CA GLY A 6 16.984 5.830 -5.636 1.00 63.31 C ATOM 95 C GLY A 6 17.617 6.806 -6.607 1.00 44.15 C ATOM 96 O GLY A 6 16.964 7.738 -7.075 1.00 63.45 O ATOM 0 H GLY A 6 15.230 5.447 -6.716 1.00 10.35 H new ATOM 0 HA2 GLY A 6 17.218 6.134 -4.616 1.00 63.31 H new ATOM 0 HA3 GLY A 6 17.421 4.842 -5.782 1.00 63.31 H new ATOM 100 N ASN A 7 18.894 6.594 -6.910 1.00 61.41 N ATOM 101 CA ASN A 7 19.617 7.464 -7.831 1.00 15.15 C ATOM 102 C ASN A 7 19.727 8.878 -7.268 1.00 42.03 C ATOM 103 O ASN A 7 19.194 9.829 -7.841 1.00 44.43 O ATOM 104 CB ASN A 7 18.916 7.497 -9.190 1.00 53.22 C ATOM 105 CG ASN A 7 19.454 6.449 -10.144 1.00 65.31 C ATOM 106 OD1 ASN A 7 20.110 6.773 -11.134 1.00 65.32 O ATOM 107 ND2 ASN A 7 19.179 5.184 -9.849 1.00 73.54 N ATOM 0 H ASN A 7 19.449 5.827 -6.531 1.00 61.41 H new ATOM 0 HA ASN A 7 20.622 7.063 -7.958 1.00 15.15 H new ATOM 0 HB2 ASN A 7 17.847 7.340 -9.048 1.00 53.22 H new ATOM 0 HB3 ASN A 7 19.037 8.485 -9.634 1.00 53.22 H new ATOM 0 HD21 ASN A 7 19.515 4.435 -10.454 1.00 73.54 H new ATOM 0 HD22 ASN A 7 18.632 4.962 -9.018 1.00 73.54 H new ATOM 114 N LEU A 8 20.423 9.009 -6.144 1.00 73.21 N ATOM 115 CA LEU A 8 20.605 10.307 -5.504 1.00 33.14 C ATOM 116 C LEU A 8 22.037 10.802 -5.674 1.00 42.34 C ATOM 117 O LEU A 8 22.870 10.644 -4.783 1.00 62.51 O ATOM 118 CB LEU A 8 20.258 10.217 -4.017 1.00 11.05 C ATOM 119 CG LEU A 8 19.068 9.326 -3.657 1.00 65.33 C ATOM 120 CD1 LEU A 8 18.943 9.186 -2.148 1.00 71.42 C ATOM 121 CD2 LEU A 8 17.784 9.885 -4.252 1.00 1.35 C ATOM 0 H LEU A 8 20.870 8.232 -5.657 1.00 73.21 H new ATOM 0 HA LEU A 8 19.935 11.019 -5.985 1.00 33.14 H new ATOM 0 HB2 LEU A 8 21.134 9.852 -3.482 1.00 11.05 H new ATOM 0 HB3 LEU A 8 20.057 11.223 -3.650 1.00 11.05 H new ATOM 0 HG LEU A 8 19.239 8.336 -4.079 1.00 65.33 H new ATOM 0 HD11 LEU A 8 18.091 8.549 -1.911 1.00 71.42 H new ATOM 0 HD12 LEU A 8 19.853 8.739 -1.747 1.00 71.42 H new ATOM 0 HD13 LEU A 8 18.795 10.170 -1.702 1.00 71.42 H new ATOM 0 HD21 LEU A 8 16.948 9.238 -3.986 1.00 1.35 H new ATOM 0 HD22 LEU A 8 17.607 10.887 -3.860 1.00 1.35 H new ATOM 0 HD23 LEU A 8 17.876 9.931 -5.337 1.00 1.35 H new ATOM 161 N ALA A 12 19.515 15.586 -5.484 1.00 34.31 N ATOM 162 CA ALA A 12 18.185 15.010 -5.329 1.00 33.35 C ATOM 163 C ALA A 12 18.203 13.842 -4.349 1.00 23.45 C ATOM 164 O ALA A 12 18.669 12.751 -4.676 1.00 73.04 O ATOM 165 CB ALA A 12 17.643 14.561 -6.678 1.00 21.23 C ATOM 0 HA ALA A 12 17.528 15.780 -4.924 1.00 33.35 H new ATOM 0 HB1 ALA A 12 16.649 14.133 -6.547 1.00 21.23 H new ATOM 0 HB2 ALA A 12 17.583 15.418 -7.349 1.00 21.23 H new ATOM 0 HB3 ALA A 12 18.308 13.810 -7.106 1.00 21.23 H new ATOM 171 N GLY A 13 17.694 14.078 -3.143 1.00 64.00 N ATOM 172 CA GLY A 13 17.663 13.036 -2.134 1.00 24.14 C ATOM 173 C GLY A 13 16.325 12.953 -1.426 1.00 42.34 C ATOM 174 O GLY A 13 15.281 12.834 -2.068 1.00 63.31 O ATOM 0 H GLY A 13 17.303 14.972 -2.847 1.00 64.00 H new ATOM 0 HA2 GLY A 13 17.884 12.076 -2.601 1.00 24.14 H new ATOM 0 HA3 GLY A 13 18.448 13.222 -1.401 1.00 24.14 H new ATOM 178 N LYS A 14 16.354 13.016 -0.099 1.00 63.55 N ATOM 179 CA LYS A 14 15.135 12.947 0.697 1.00 31.21 C ATOM 180 C LYS A 14 14.231 14.141 0.412 1.00 55.43 C ATOM 181 O LYS A 14 13.033 13.984 0.176 1.00 64.21 O ATOM 182 CB LYS A 14 15.477 12.897 2.188 1.00 42.32 C ATOM 183 CG LYS A 14 14.329 12.420 3.060 1.00 12.20 C ATOM 184 CD LYS A 14 14.334 13.109 4.415 1.00 62.53 C ATOM 185 CE LYS A 14 13.599 14.439 4.367 1.00 43.34 C ATOM 186 NZ LYS A 14 14.385 15.530 5.007 1.00 12.25 N ATOM 0 H LYS A 14 17.209 13.115 0.448 1.00 63.55 H new ATOM 0 HA LYS A 14 14.602 12.037 0.422 1.00 31.21 H new ATOM 0 HB2 LYS A 14 16.332 12.237 2.334 1.00 42.32 H new ATOM 0 HB3 LYS A 14 15.782 13.891 2.516 1.00 42.32 H new ATOM 0 HG2 LYS A 14 13.383 12.614 2.555 1.00 12.20 H new ATOM 0 HG3 LYS A 14 14.400 11.341 3.199 1.00 12.20 H new ATOM 0 HD2 LYS A 14 13.866 12.460 5.156 1.00 62.53 H new ATOM 0 HD3 LYS A 14 15.362 13.272 4.738 1.00 62.53 H new ATOM 0 HE2 LYS A 14 13.391 14.702 3.330 1.00 43.34 H new ATOM 0 HE3 LYS A 14 12.637 14.341 4.870 1.00 43.34 H new ATOM 0 HZ1 LYS A 14 13.850 16.420 4.954 1.00 12.25 H new ATOM 0 HZ2 LYS A 14 14.562 15.291 6.004 1.00 12.25 H new ATOM 0 HZ3 LYS A 14 15.292 15.641 4.511 1.00 12.25 H new ATOM 200 N GLY A 15 14.812 15.337 0.433 1.00 1.05 N ATOM 201 CA GLY A 15 14.044 16.541 0.174 1.00 33.51 C ATOM 202 C GLY A 15 13.420 16.544 -1.208 1.00 22.24 C ATOM 203 O GLY A 15 12.263 16.929 -1.372 1.00 4.51 O ATOM 0 H GLY A 15 15.801 15.493 0.625 1.00 1.05 H new ATOM 0 HA2 GLY A 15 13.259 16.636 0.924 1.00 33.51 H new ATOM 0 HA3 GLY A 15 14.692 17.411 0.279 1.00 33.51 H new ATOM 207 N GLU A 16 14.189 16.114 -2.203 1.00 43.43 N ATOM 208 CA GLU A 16 13.705 16.072 -3.578 1.00 41.21 C ATOM 209 C GLU A 16 12.539 15.098 -3.714 1.00 74.24 C ATOM 210 O GLU A 16 11.448 15.474 -4.146 1.00 32.21 O ATOM 211 CB GLU A 16 14.835 15.669 -4.528 1.00 33.30 C ATOM 212 CG GLU A 16 14.982 16.592 -5.726 1.00 32.03 C ATOM 213 CD GLU A 16 13.646 16.994 -6.320 1.00 71.21 C ATOM 214 OE1 GLU A 16 12.716 16.161 -6.309 1.00 21.43 O ATOM 215 OE2 GLU A 16 13.531 18.143 -6.797 1.00 32.45 O ATOM 0 H GLU A 16 15.149 15.790 -2.083 1.00 43.43 H new ATOM 0 HA GLU A 16 13.355 17.070 -3.844 1.00 41.21 H new ATOM 0 HB2 GLU A 16 15.774 15.653 -3.975 1.00 33.30 H new ATOM 0 HB3 GLU A 16 14.656 14.654 -4.882 1.00 33.30 H new ATOM 0 HG2 GLU A 16 15.526 17.487 -5.425 1.00 32.03 H new ATOM 0 HG3 GLU A 16 15.581 16.097 -6.490 1.00 32.03 H new ATOM 222 N LEU A 17 12.776 13.844 -3.344 1.00 44.44 N ATOM 223 CA LEU A 17 11.747 12.814 -3.425 1.00 54.32 C ATOM 224 C LEU A 17 10.554 13.166 -2.541 1.00 64.40 C ATOM 225 O LEU A 17 9.418 12.805 -2.844 1.00 54.34 O ATOM 226 CB LEU A 17 12.321 11.458 -3.012 1.00 35.01 C ATOM 227 CG LEU A 17 12.330 11.162 -1.512 1.00 13.02 C ATOM 228 CD1 LEU A 17 11.032 10.488 -1.093 1.00 24.12 C ATOM 229 CD2 LEU A 17 13.526 10.295 -1.147 1.00 34.15 C ATOM 0 H LEU A 17 13.673 13.516 -2.985 1.00 44.44 H new ATOM 0 HA LEU A 17 11.405 12.756 -4.458 1.00 54.32 H new ATOM 0 HB2 LEU A 17 11.750 10.676 -3.513 1.00 35.01 H new ATOM 0 HB3 LEU A 17 13.344 11.391 -3.381 1.00 35.01 H new ATOM 0 HG LEU A 17 12.414 12.107 -0.975 1.00 13.02 H new ATOM 0 HD11 LEU A 17 11.057 10.285 -0.022 1.00 24.12 H new ATOM 0 HD12 LEU A 17 10.192 11.145 -1.319 1.00 24.12 H new ATOM 0 HD13 LEU A 17 10.916 9.551 -1.637 1.00 24.12 H new ATOM 0 HD21 LEU A 17 13.516 10.094 -0.076 1.00 34.15 H new ATOM 0 HD22 LEU A 17 13.473 9.353 -1.693 1.00 34.15 H new ATOM 0 HD23 LEU A 17 14.447 10.816 -1.410 1.00 34.15 H new ATOM 241 N GLU A 18 10.823 13.873 -1.448 1.00 31.43 N ATOM 242 CA GLU A 18 9.771 14.274 -0.521 1.00 21.43 C ATOM 243 C GLU A 18 8.824 15.276 -1.173 1.00 53.04 C ATOM 244 O GLU A 18 7.604 15.115 -1.126 1.00 61.24 O ATOM 245 CB GLU A 18 10.380 14.880 0.745 1.00 43.51 C ATOM 246 CG GLU A 18 9.350 15.460 1.699 1.00 55.10 C ATOM 247 CD GLU A 18 9.958 15.906 3.014 1.00 11.34 C ATOM 248 OE1 GLU A 18 10.527 15.052 3.725 1.00 1.24 O ATOM 249 OE2 GLU A 18 9.865 17.111 3.332 1.00 34.52 O ATOM 0 H GLU A 18 11.759 14.180 -1.183 1.00 31.43 H new ATOM 0 HA GLU A 18 9.201 13.385 -0.252 1.00 21.43 H new ATOM 0 HB2 GLU A 18 10.953 14.113 1.265 1.00 43.51 H new ATOM 0 HB3 GLU A 18 11.082 15.664 0.461 1.00 43.51 H new ATOM 0 HG2 GLU A 18 8.858 16.309 1.224 1.00 55.10 H new ATOM 0 HG3 GLU A 18 8.580 14.714 1.894 1.00 55.10 H new ATOM 256 N ARG A 19 9.394 16.311 -1.781 1.00 40.13 N ATOM 257 CA ARG A 19 8.601 17.341 -2.442 1.00 22.11 C ATOM 258 C ARG A 19 7.809 16.754 -3.606 1.00 35.40 C ATOM 259 O ARG A 19 6.635 17.074 -3.795 1.00 65.32 O ATOM 260 CB ARG A 19 9.506 18.467 -2.944 1.00 42.52 C ATOM 261 CG ARG A 19 8.871 19.845 -2.853 1.00 3.45 C ATOM 262 CD ARG A 19 9.499 20.676 -1.744 1.00 24.40 C ATOM 263 NE ARG A 19 9.191 20.143 -0.420 1.00 11.04 N ATOM 264 CZ ARG A 19 9.487 20.772 0.713 1.00 74.15 C ATOM 265 NH1 ARG A 19 10.095 21.950 0.681 1.00 33.42 N ATOM 266 NH2 ARG A 19 9.173 20.223 1.879 1.00 24.22 N ATOM 0 H ARG A 19 10.402 16.459 -1.830 1.00 40.13 H new ATOM 0 HA ARG A 19 7.898 17.746 -1.714 1.00 22.11 H new ATOM 0 HB2 ARG A 19 10.430 18.463 -2.367 1.00 42.52 H new ATOM 0 HB3 ARG A 19 9.777 18.269 -3.981 1.00 42.52 H new ATOM 0 HG2 ARG A 19 8.984 20.363 -3.806 1.00 3.45 H new ATOM 0 HG3 ARG A 19 7.801 19.743 -2.671 1.00 3.45 H new ATOM 0 HD2 ARG A 19 10.580 20.705 -1.881 1.00 24.40 H new ATOM 0 HD3 ARG A 19 9.141 21.703 -1.814 1.00 24.40 H new ATOM 0 HE ARG A 19 8.723 19.239 -0.361 1.00 11.04 H new ATOM 0 HH11 ARG A 19 10.336 22.375 -0.214 1.00 33.42 H new ATOM 0 HH12 ARG A 19 10.321 22.431 1.552 1.00 33.42 H new ATOM 0 HH21 ARG A 19 8.704 19.318 1.907 1.00 24.22 H new ATOM 0 HH22 ARG A 19 9.400 20.706 2.748 1.00 24.22 H new ATOM 280 N ALA A 20 8.458 15.893 -4.383 1.00 41.11 N ATOM 281 CA ALA A 20 7.814 15.260 -5.527 1.00 51.22 C ATOM 282 C ALA A 20 6.636 14.398 -5.086 1.00 51.14 C ATOM 283 O ALA A 20 5.490 14.662 -5.451 1.00 71.21 O ATOM 284 CB ALA A 20 8.820 14.425 -6.304 1.00 65.51 C ATOM 0 H ALA A 20 9.430 15.618 -4.241 1.00 41.11 H new ATOM 0 HA ALA A 20 7.432 16.046 -6.178 1.00 51.22 H new ATOM 0 HB1 ALA A 20 8.325 13.958 -7.156 1.00 65.51 H new ATOM 0 HB2 ALA A 20 9.627 15.066 -6.660 1.00 65.51 H new ATOM 0 HB3 ALA A 20 9.230 13.652 -5.654 1.00 65.51 H new ATOM 290 N PHE A 21 6.925 13.366 -4.300 1.00 41.34 N ATOM 291 CA PHE A 21 5.889 12.464 -3.811 1.00 63.12 C ATOM 292 C PHE A 21 4.746 13.245 -3.171 1.00 15.11 C ATOM 293 O PHE A 21 3.574 12.987 -3.445 1.00 35.01 O ATOM 294 CB PHE A 21 6.478 11.478 -2.799 1.00 50.55 C ATOM 295 CG PHE A 21 7.035 10.234 -3.429 1.00 75.42 C ATOM 296 CD1 PHE A 21 7.975 10.316 -4.444 1.00 35.51 C ATOM 297 CD2 PHE A 21 6.618 8.982 -3.006 1.00 61.33 C ATOM 298 CE1 PHE A 21 8.488 9.172 -5.026 1.00 35.44 C ATOM 299 CE2 PHE A 21 7.128 7.834 -3.584 1.00 0.11 C ATOM 300 CZ PHE A 21 8.065 7.929 -4.594 1.00 52.43 C ATOM 0 H PHE A 21 7.868 13.134 -3.988 1.00 41.34 H new ATOM 0 HA PHE A 21 5.494 11.909 -4.662 1.00 63.12 H new ATOM 0 HB2 PHE A 21 7.268 11.976 -2.236 1.00 50.55 H new ATOM 0 HB3 PHE A 21 5.705 11.198 -2.084 1.00 50.55 H new ATOM 0 HD1 PHE A 21 8.310 11.285 -4.784 1.00 35.51 H new ATOM 0 HD2 PHE A 21 5.886 8.902 -2.216 1.00 61.33 H new ATOM 0 HE1 PHE A 21 9.219 9.249 -5.818 1.00 35.44 H new ATOM 0 HE2 PHE A 21 6.794 6.864 -3.246 1.00 0.11 H new ATOM 0 HZ PHE A 21 8.467 7.034 -5.045 1.00 52.43 H new ATOM 310 N SER A 22 5.095 14.201 -2.316 1.00 63.02 N ATOM 311 CA SER A 22 4.099 15.017 -1.633 1.00 11.51 C ATOM 312 C SER A 22 3.284 15.831 -2.634 1.00 33.41 C ATOM 313 O SER A 22 2.062 15.931 -2.520 1.00 72.15 O ATOM 314 CB SER A 22 4.776 15.953 -0.630 1.00 3.31 C ATOM 315 OG SER A 22 3.879 16.954 -0.180 1.00 25.11 O ATOM 0 H SER A 22 6.061 14.429 -2.080 1.00 63.02 H new ATOM 0 HA SER A 22 3.424 14.349 -1.098 1.00 11.51 H new ATOM 0 HB2 SER A 22 5.140 15.377 0.221 1.00 3.31 H new ATOM 0 HB3 SER A 22 5.645 16.421 -1.093 1.00 3.31 H new ATOM 0 HG SER A 22 4.335 17.538 0.461 1.00 25.11 H new ATOM 321 N TYR A 23 3.969 16.409 -3.614 1.00 10.34 N ATOM 322 CA TYR A 23 3.310 17.216 -4.634 1.00 43.00 C ATOM 323 C TYR A 23 2.238 16.408 -5.359 1.00 11.42 C ATOM 324 O TYR A 23 1.148 16.910 -5.636 1.00 20.22 O ATOM 325 CB TYR A 23 4.336 17.741 -5.640 1.00 22.11 C ATOM 326 CG TYR A 23 4.756 19.171 -5.386 1.00 63.00 C ATOM 327 CD1 TYR A 23 3.811 20.182 -5.262 1.00 72.31 C ATOM 328 CD2 TYR A 23 6.098 19.512 -5.271 1.00 62.20 C ATOM 329 CE1 TYR A 23 4.190 21.490 -5.031 1.00 32.11 C ATOM 330 CE2 TYR A 23 6.486 20.817 -5.038 1.00 63.03 C ATOM 331 CZ TYR A 23 5.529 21.802 -4.919 1.00 54.42 C ATOM 332 OH TYR A 23 5.911 23.104 -4.689 1.00 2.02 O ATOM 0 H TYR A 23 4.980 16.334 -3.724 1.00 10.34 H new ATOM 0 HA TYR A 23 2.831 18.061 -4.139 1.00 43.00 H new ATOM 0 HB2 TYR A 23 5.218 17.102 -5.613 1.00 22.11 H new ATOM 0 HB3 TYR A 23 3.919 17.667 -6.644 1.00 22.11 H new ATOM 0 HD1 TYR A 23 2.762 19.941 -5.348 1.00 72.31 H new ATOM 0 HD2 TYR A 23 6.851 18.743 -5.365 1.00 62.20 H new ATOM 0 HE1 TYR A 23 3.442 22.264 -4.939 1.00 32.11 H new ATOM 0 HE2 TYR A 23 7.534 21.064 -4.950 1.00 63.03 H new ATOM 0 HH TYR A 23 6.888 23.154 -4.635 1.00 2.02 H new ATOM 342 N TYR A 24 2.555 15.155 -5.662 1.00 63.24 N ATOM 343 CA TYR A 24 1.621 14.277 -6.356 1.00 70.55 C ATOM 344 C TYR A 24 0.488 13.846 -5.430 1.00 72.43 C ATOM 345 O TYR A 24 -0.664 13.736 -5.849 1.00 1.33 O ATOM 346 CB TYR A 24 2.351 13.045 -6.895 1.00 74.13 C ATOM 347 CG TYR A 24 3.005 13.269 -8.240 1.00 74.41 C ATOM 348 CD1 TYR A 24 4.081 14.136 -8.375 1.00 64.14 C ATOM 349 CD2 TYR A 24 2.546 12.612 -9.375 1.00 71.43 C ATOM 350 CE1 TYR A 24 4.681 14.344 -9.602 1.00 63.23 C ATOM 351 CE2 TYR A 24 3.141 12.812 -10.606 1.00 53.20 C ATOM 352 CZ TYR A 24 4.208 13.680 -10.714 1.00 74.44 C ATOM 353 OH TYR A 24 4.803 13.883 -11.938 1.00 64.11 O ATOM 0 H TYR A 24 3.452 14.724 -5.438 1.00 63.24 H new ATOM 0 HA TYR A 24 1.193 14.831 -7.191 1.00 70.55 H new ATOM 0 HB2 TYR A 24 3.112 12.741 -6.176 1.00 74.13 H new ATOM 0 HB3 TYR A 24 1.643 12.221 -6.978 1.00 74.13 H new ATOM 0 HD1 TYR A 24 4.455 14.657 -7.506 1.00 64.14 H new ATOM 0 HD2 TYR A 24 1.710 11.933 -9.294 1.00 71.43 H new ATOM 0 HE1 TYR A 24 5.516 15.023 -9.690 1.00 63.23 H new ATOM 0 HE2 TYR A 24 2.773 12.292 -11.478 1.00 53.20 H new ATOM 0 HH TYR A 24 5.751 14.096 -11.810 1.00 64.11 H new ATOM 363 N GLY A 25 0.825 13.602 -4.167 1.00 54.41 N ATOM 364 CA GLY A 25 -0.174 13.187 -3.200 1.00 34.30 C ATOM 365 C GLY A 25 0.438 12.765 -1.879 1.00 12.42 C ATOM 366 O GLY A 25 1.627 12.458 -1.791 1.00 73.11 O ATOM 0 H GLY A 25 1.772 13.684 -3.797 1.00 54.41 H new ATOM 0 HA2 GLY A 25 -0.872 14.007 -3.028 1.00 34.30 H new ATOM 0 HA3 GLY A 25 -0.751 12.358 -3.611 1.00 34.30 H new ATOM 370 N PRO A 26 -0.385 12.749 -0.819 1.00 42.25 N ATOM 371 CA PRO A 26 0.061 12.366 0.523 1.00 22.52 C ATOM 372 C PRO A 26 0.381 10.878 0.625 1.00 74.01 C ATOM 373 O PRO A 26 -0.509 10.033 0.520 1.00 33.22 O ATOM 374 CB PRO A 26 -1.137 12.717 1.409 1.00 61.12 C ATOM 375 CG PRO A 26 -2.313 12.659 0.496 1.00 63.21 C ATOM 376 CD PRO A 26 -1.814 13.104 -0.851 1.00 23.30 C ATOM 0 HA PRO A 26 0.982 12.875 0.807 1.00 22.52 H new ATOM 0 HB2 PRO A 26 -1.240 12.011 2.233 1.00 61.12 H new ATOM 0 HB3 PRO A 26 -1.027 13.708 1.850 1.00 61.12 H new ATOM 0 HG2 PRO A 26 -2.720 11.649 0.447 1.00 63.21 H new ATOM 0 HG3 PRO A 26 -3.114 13.308 0.850 1.00 63.21 H new ATOM 0 HD2 PRO A 26 -2.336 12.595 -1.661 1.00 23.30 H new ATOM 0 HD3 PRO A 26 -1.959 14.174 -1.000 1.00 23.30 H new ATOM 384 N LEU A 27 1.655 10.564 0.830 1.00 40.01 N ATOM 385 CA LEU A 27 2.092 9.177 0.946 1.00 1.15 C ATOM 386 C LEU A 27 1.950 8.680 2.382 1.00 45.43 C ATOM 387 O LEU A 27 1.421 9.383 3.243 1.00 44.31 O ATOM 388 CB LEU A 27 3.545 9.039 0.488 1.00 0.51 C ATOM 389 CG LEU A 27 4.570 9.885 1.245 1.00 65.43 C ATOM 390 CD1 LEU A 27 5.867 9.112 1.429 1.00 63.11 C ATOM 391 CD2 LEU A 27 4.827 11.194 0.513 1.00 71.25 C ATOM 0 H LEU A 27 2.404 11.251 0.919 1.00 40.01 H new ATOM 0 HA LEU A 27 1.456 8.567 0.305 1.00 1.15 H new ATOM 0 HB2 LEU A 27 3.834 7.991 0.573 1.00 0.51 H new ATOM 0 HB3 LEU A 27 3.598 9.299 -0.569 1.00 0.51 H new ATOM 0 HG LEU A 27 4.165 10.117 2.230 1.00 65.43 H new ATOM 0 HD11 LEU A 27 6.585 9.729 1.969 1.00 63.11 H new ATOM 0 HD12 LEU A 27 5.671 8.202 1.996 1.00 63.11 H new ATOM 0 HD13 LEU A 27 6.276 8.850 0.453 1.00 63.11 H new ATOM 0 HD21 LEU A 27 5.559 11.783 1.066 1.00 71.25 H new ATOM 0 HD22 LEU A 27 5.211 10.983 -0.485 1.00 71.25 H new ATOM 0 HD23 LEU A 27 3.896 11.755 0.433 1.00 71.25 H new ATOM 403 N ARG A 28 2.429 7.466 2.632 1.00 75.11 N ATOM 404 CA ARG A 28 2.356 6.876 3.963 1.00 60.40 C ATOM 405 C ARG A 28 3.572 7.266 4.798 1.00 11.50 C ATOM 406 O ARG A 28 3.439 7.703 5.942 1.00 44.01 O ATOM 407 CB ARG A 28 2.260 5.352 3.864 1.00 65.00 C ATOM 408 CG ARG A 28 2.132 4.661 5.212 1.00 72.14 C ATOM 409 CD ARG A 28 0.897 3.776 5.268 1.00 35.02 C ATOM 410 NE ARG A 28 0.962 2.815 6.366 1.00 73.54 N ATOM 411 CZ ARG A 28 1.664 1.688 6.315 1.00 3.32 C ATOM 412 NH1 ARG A 28 2.358 1.384 5.227 1.00 2.11 N ATOM 413 NH2 ARG A 28 1.674 0.864 7.355 1.00 61.11 N ATOM 0 H ARG A 28 2.872 6.872 1.931 1.00 75.11 H new ATOM 0 HA ARG A 28 1.461 7.259 4.454 1.00 60.40 H new ATOM 0 HB2 ARG A 28 1.400 5.090 3.248 1.00 65.00 H new ATOM 0 HB3 ARG A 28 3.145 4.973 3.354 1.00 65.00 H new ATOM 0 HG2 ARG A 28 3.021 4.059 5.400 1.00 72.14 H new ATOM 0 HG3 ARG A 28 2.081 5.410 6.003 1.00 72.14 H new ATOM 0 HD2 ARG A 28 0.010 4.399 5.383 1.00 35.02 H new ATOM 0 HD3 ARG A 28 0.791 3.241 4.324 1.00 35.02 H new ATOM 0 HE ARG A 28 0.440 3.020 7.218 1.00 73.54 H new ATOM 0 HH11 ARG A 28 2.354 2.016 4.426 1.00 2.11 H new ATOM 0 HH12 ARG A 28 2.896 0.518 5.191 1.00 2.11 H new ATOM 0 HH21 ARG A 28 1.143 1.096 8.194 1.00 61.11 H new ATOM 0 HH22 ARG A 28 2.213 -0.001 7.315 1.00 61.11 H new ATOM 427 N THR A 29 4.758 7.106 4.219 1.00 53.34 N ATOM 428 CA THR A 29 5.997 7.440 4.909 1.00 40.31 C ATOM 429 C THR A 29 7.182 7.424 3.950 1.00 10.41 C ATOM 430 O THR A 29 7.159 6.735 2.930 1.00 22.14 O ATOM 431 CB THR A 29 6.276 6.464 6.067 1.00 15.15 C ATOM 432 OG1 THR A 29 7.520 6.791 6.695 1.00 4.11 O ATOM 433 CG2 THR A 29 6.316 5.028 5.567 1.00 13.12 C ATOM 0 H THR A 29 4.886 6.747 3.273 1.00 53.34 H new ATOM 0 HA THR A 29 5.873 8.445 5.312 1.00 40.31 H new ATOM 0 HB THR A 29 5.468 6.557 6.793 1.00 15.15 H new ATOM 0 HG1 THR A 29 7.689 6.167 7.431 1.00 4.11 H new ATOM 0 HG21 THR A 29 6.515 4.357 6.403 1.00 13.12 H new ATOM 0 HG22 THR A 29 5.357 4.773 5.117 1.00 13.12 H new ATOM 0 HG23 THR A 29 7.105 4.924 4.823 1.00 13.12 H new ATOM 441 N VAL A 30 8.218 8.188 4.284 1.00 54.13 N ATOM 442 CA VAL A 30 9.413 8.260 3.453 1.00 44.24 C ATOM 443 C VAL A 30 10.654 7.852 4.239 1.00 43.14 C ATOM 444 O VAL A 30 10.766 8.135 5.432 1.00 64.55 O ATOM 445 CB VAL A 30 9.620 9.678 2.888 1.00 0.32 C ATOM 446 CG1 VAL A 30 9.621 10.705 4.011 1.00 62.04 C ATOM 447 CG2 VAL A 30 10.912 9.750 2.088 1.00 73.22 C ATOM 0 H VAL A 30 8.253 8.765 5.124 1.00 54.13 H new ATOM 0 HA VAL A 30 9.265 7.566 2.626 1.00 44.24 H new ATOM 0 HB VAL A 30 8.792 9.908 2.218 1.00 0.32 H new ATOM 0 HG11 VAL A 30 9.768 11.701 3.593 1.00 62.04 H new ATOM 0 HG12 VAL A 30 8.667 10.670 4.537 1.00 62.04 H new ATOM 0 HG13 VAL A 30 10.428 10.481 4.708 1.00 62.04 H new ATOM 0 HG21 VAL A 30 11.042 10.759 1.696 1.00 73.22 H new ATOM 0 HG22 VAL A 30 11.754 9.500 2.733 1.00 73.22 H new ATOM 0 HG23 VAL A 30 10.867 9.043 1.260 1.00 73.22 H new ATOM 457 N TRP A 31 11.584 7.187 3.562 1.00 33.03 N ATOM 458 CA TRP A 31 12.818 6.740 4.198 1.00 41.03 C ATOM 459 C TRP A 31 13.974 6.743 3.204 1.00 42.33 C ATOM 460 O TRP A 31 13.766 6.624 1.996 1.00 62.01 O ATOM 461 CB TRP A 31 12.636 5.339 4.783 1.00 63.52 C ATOM 462 CG TRP A 31 13.522 5.067 5.961 1.00 12.32 C ATOM 463 CD1 TRP A 31 13.472 5.678 7.182 1.00 73.22 C ATOM 464 CD2 TRP A 31 14.590 4.117 6.029 1.00 24.13 C ATOM 465 NE1 TRP A 31 14.445 5.164 8.005 1.00 51.14 N ATOM 466 CE2 TRP A 31 15.144 4.204 7.322 1.00 41.54 C ATOM 467 CE3 TRP A 31 15.132 3.199 5.125 1.00 1.14 C ATOM 468 CZ2 TRP A 31 16.212 3.410 7.729 1.00 63.22 C ATOM 469 CZ3 TRP A 31 16.193 2.411 5.531 1.00 15.30 C ATOM 470 CH2 TRP A 31 16.723 2.520 6.823 1.00 21.04 C ATOM 0 H TRP A 31 11.507 6.946 2.574 1.00 33.03 H new ATOM 0 HA TRP A 31 13.054 7.434 5.004 1.00 41.03 H new ATOM 0 HB2 TRP A 31 11.596 5.211 5.083 1.00 63.52 H new ATOM 0 HB3 TRP A 31 12.838 4.600 4.007 1.00 63.52 H new ATOM 0 HD1 TRP A 31 12.771 6.451 7.460 1.00 73.22 H new ATOM 0 HE1 TRP A 31 14.619 5.451 8.968 1.00 51.14 H new ATOM 0 HE3 TRP A 31 14.729 3.107 4.127 1.00 1.14 H new ATOM 0 HZ2 TRP A 31 16.623 3.493 8.724 1.00 63.22 H new ATOM 0 HZ3 TRP A 31 16.620 1.699 4.840 1.00 15.30 H new ATOM 0 HH2 TRP A 31 17.551 1.889 7.110 1.00 21.04 H new ATOM 481 N ILE A 32 15.191 6.880 3.719 1.00 43.23 N ATOM 482 CA ILE A 32 16.380 6.897 2.875 1.00 12.40 C ATOM 483 C ILE A 32 17.355 5.796 3.277 1.00 3.51 C ATOM 484 O ILE A 32 17.414 5.399 4.440 1.00 11.44 O ATOM 485 CB ILE A 32 17.100 8.257 2.945 1.00 63.20 C ATOM 486 CG1 ILE A 32 16.091 9.400 2.819 1.00 4.33 C ATOM 487 CG2 ILE A 32 18.157 8.353 1.854 1.00 13.15 C ATOM 488 CD1 ILE A 32 15.348 9.408 1.502 1.00 11.10 C ATOM 0 H ILE A 32 15.380 6.981 4.716 1.00 43.23 H new ATOM 0 HA ILE A 32 16.044 6.725 1.852 1.00 12.40 H new ATOM 0 HB ILE A 32 17.595 8.340 3.912 1.00 63.20 H new ATOM 0 HG12 ILE A 32 15.370 9.329 3.633 1.00 4.33 H new ATOM 0 HG13 ILE A 32 16.613 10.349 2.938 1.00 4.33 H new ATOM 0 HG21 ILE A 32 18.657 9.319 1.916 1.00 13.15 H new ATOM 0 HG22 ILE A 32 18.889 7.556 1.986 1.00 13.15 H new ATOM 0 HG23 ILE A 32 17.683 8.252 0.878 1.00 13.15 H new ATOM 0 HD11 ILE A 32 14.650 10.245 1.483 1.00 11.10 H new ATOM 0 HD12 ILE A 32 16.060 9.511 0.683 1.00 11.10 H new ATOM 0 HD13 ILE A 32 14.798 8.474 1.389 1.00 11.10 H new ATOM 500 N ALA A 33 18.121 5.309 2.307 1.00 60.55 N ATOM 501 CA ALA A 33 19.097 4.256 2.560 1.00 43.22 C ATOM 502 C ALA A 33 20.519 4.805 2.516 1.00 25.42 C ATOM 503 O ALA A 33 21.054 5.085 1.443 1.00 22.42 O ATOM 504 CB ALA A 33 18.933 3.130 1.550 1.00 32.33 C ATOM 0 H ALA A 33 18.085 5.627 1.338 1.00 60.55 H new ATOM 0 HA ALA A 33 18.918 3.861 3.560 1.00 43.22 H new ATOM 0 HB1 ALA A 33 19.668 2.351 1.751 1.00 32.33 H new ATOM 0 HB2 ALA A 33 17.930 2.712 1.631 1.00 32.33 H new ATOM 0 HB3 ALA A 33 19.083 3.520 0.543 1.00 32.33 H new ATOM 510 N ARG A 34 21.126 4.956 3.689 1.00 44.32 N ATOM 511 CA ARG A 34 22.486 5.473 3.784 1.00 42.40 C ATOM 512 C ARG A 34 23.501 4.418 3.354 1.00 34.31 C ATOM 513 O ARG A 34 24.600 4.744 2.909 1.00 1.23 O ATOM 514 CB ARG A 34 22.783 5.928 5.214 1.00 14.41 C ATOM 515 CG ARG A 34 22.728 4.803 6.235 1.00 41.42 C ATOM 516 CD ARG A 34 23.010 5.312 7.640 1.00 62.11 C ATOM 517 NE ARG A 34 24.442 5.386 7.918 1.00 10.00 N ATOM 518 CZ ARG A 34 24.945 5.645 9.120 1.00 53.10 C ATOM 519 NH1 ARG A 34 24.136 5.853 10.150 1.00 52.33 N ATOM 520 NH2 ARG A 34 26.259 5.696 9.294 1.00 62.12 N ATOM 0 H ARG A 34 20.698 4.728 4.586 1.00 44.32 H new ATOM 0 HA ARG A 34 22.570 6.328 3.113 1.00 42.40 H new ATOM 0 HB2 ARG A 34 23.772 6.385 5.243 1.00 14.41 H new ATOM 0 HB3 ARG A 34 22.067 6.699 5.497 1.00 14.41 H new ATOM 0 HG2 ARG A 34 21.745 4.333 6.208 1.00 41.42 H new ATOM 0 HG3 ARG A 34 23.456 4.035 5.972 1.00 41.42 H new ATOM 0 HD2 ARG A 34 22.565 6.299 7.764 1.00 62.11 H new ATOM 0 HD3 ARG A 34 22.533 4.654 8.366 1.00 62.11 H new ATOM 0 HE ARG A 34 25.091 5.230 7.147 1.00 10.00 H new ATOM 0 HH11 ARG A 34 23.125 5.814 10.020 1.00 52.33 H new ATOM 0 HH12 ARG A 34 24.525 6.052 11.072 1.00 52.33 H new ATOM 0 HH21 ARG A 34 26.885 5.536 8.504 1.00 62.12 H new ATOM 0 HH22 ARG A 34 26.644 5.895 10.217 1.00 62.12 H new ATOM 534 N ASN A 35 23.123 3.151 3.491 1.00 74.10 N ATOM 535 CA ASN A 35 24.000 2.047 3.118 1.00 53.01 C ATOM 536 C ASN A 35 24.551 2.242 1.709 1.00 53.43 C ATOM 537 O ASN A 35 25.759 2.354 1.498 1.00 55.24 O ATOM 538 CB ASN A 35 23.246 0.718 3.203 1.00 0.21 C ATOM 539 CG ASN A 35 23.684 -0.120 4.388 1.00 23.05 C ATOM 540 OD1 ASN A 35 23.806 0.381 5.506 1.00 12.23 O ATOM 541 ND2 ASN A 35 23.924 -1.404 4.149 1.00 43.15 N ATOM 0 H ASN A 35 22.216 2.864 3.857 1.00 74.10 H new ATOM 0 HA ASN A 35 24.836 2.028 3.817 1.00 53.01 H new ATOM 0 HB2 ASN A 35 22.176 0.914 3.276 1.00 0.21 H new ATOM 0 HB3 ASN A 35 23.405 0.154 2.284 1.00 0.21 H new ATOM 0 HD21 ASN A 35 24.222 -2.017 4.908 1.00 43.15 H new ATOM 0 HD22 ASN A 35 23.810 -1.777 3.207 1.00 43.15 H new ATOM 548 N PRO A 36 23.645 2.285 0.720 1.00 3.50 N ATOM 549 CA PRO A 36 24.017 2.469 -0.686 1.00 72.32 C ATOM 550 C PRO A 36 24.538 3.873 -0.970 1.00 12.52 C ATOM 551 O PRO A 36 24.425 4.782 -0.146 1.00 71.51 O ATOM 552 CB PRO A 36 22.704 2.224 -1.435 1.00 1.04 C ATOM 553 CG PRO A 36 21.638 2.547 -0.445 1.00 41.33 C ATOM 554 CD PRO A 36 22.189 2.159 0.899 1.00 41.11 C ATOM 0 HA PRO A 36 24.825 1.801 -0.984 1.00 72.32 H new ATOM 0 HB2 PRO A 36 22.628 2.857 -2.319 1.00 1.04 H new ATOM 0 HB3 PRO A 36 22.629 1.191 -1.775 1.00 1.04 H new ATOM 0 HG2 PRO A 36 21.388 3.608 -0.473 1.00 41.33 H new ATOM 0 HG3 PRO A 36 20.722 1.998 -0.665 1.00 41.33 H new ATOM 0 HD2 PRO A 36 21.823 2.816 1.688 1.00 41.11 H new ATOM 0 HD3 PRO A 36 21.904 1.143 1.172 1.00 41.11 H new ATOM 562 N PRO A 37 25.122 4.059 -2.163 1.00 1.12 N ATOM 563 CA PRO A 37 25.671 5.352 -2.583 1.00 23.24 C ATOM 564 C PRO A 37 24.582 6.386 -2.845 1.00 44.52 C ATOM 565 O PRO A 37 24.811 7.589 -2.719 1.00 65.44 O ATOM 566 CB PRO A 37 26.415 5.017 -3.878 1.00 53.32 C ATOM 567 CG PRO A 37 25.735 3.800 -4.402 1.00 33.43 C ATOM 568 CD PRO A 37 25.291 3.021 -3.194 1.00 2.52 C ATOM 0 HA PRO A 37 26.304 5.796 -1.815 1.00 23.24 H new ATOM 0 HB2 PRO A 37 26.359 5.840 -4.591 1.00 53.32 H new ATOM 0 HB3 PRO A 37 27.472 4.830 -3.690 1.00 53.32 H new ATOM 0 HG2 PRO A 37 24.884 4.068 -5.028 1.00 33.43 H new ATOM 0 HG3 PRO A 37 26.412 3.210 -5.020 1.00 33.43 H new ATOM 0 HD2 PRO A 37 24.361 2.485 -3.381 1.00 2.52 H new ATOM 0 HD3 PRO A 37 26.033 2.279 -2.899 1.00 2.52 H new ATOM 576 N GLY A 38 23.396 5.911 -3.211 1.00 33.44 N ATOM 577 CA GLY A 38 22.289 6.808 -3.485 1.00 11.43 C ATOM 578 C GLY A 38 20.993 6.068 -3.747 1.00 72.51 C ATOM 579 O GLY A 38 20.556 5.952 -4.892 1.00 41.15 O ATOM 0 H GLY A 38 23.182 4.920 -3.323 1.00 33.44 H new ATOM 0 HA2 GLY A 38 22.154 7.482 -2.639 1.00 11.43 H new ATOM 0 HA3 GLY A 38 22.532 7.426 -4.349 1.00 11.43 H new ATOM 583 N PHE A 39 20.376 5.562 -2.684 1.00 2.32 N ATOM 584 CA PHE A 39 19.123 4.826 -2.805 1.00 23.12 C ATOM 585 C PHE A 39 18.192 5.141 -1.638 1.00 3.23 C ATOM 586 O PHE A 39 18.625 5.219 -0.488 1.00 51.44 O ATOM 587 CB PHE A 39 19.395 3.321 -2.863 1.00 1.30 C ATOM 588 CG PHE A 39 19.051 2.701 -4.187 1.00 34.43 C ATOM 589 CD1 PHE A 39 19.789 3.000 -5.320 1.00 63.51 C ATOM 590 CD2 PHE A 39 17.988 1.819 -4.298 1.00 33.35 C ATOM 591 CE1 PHE A 39 19.475 2.430 -6.540 1.00 22.13 C ATOM 592 CE2 PHE A 39 17.669 1.246 -5.514 1.00 62.32 C ATOM 593 CZ PHE A 39 18.413 1.553 -6.637 1.00 20.51 C ATOM 0 H PHE A 39 20.724 5.648 -1.729 1.00 2.32 H new ATOM 0 HA PHE A 39 18.636 5.137 -3.729 1.00 23.12 H new ATOM 0 HB2 PHE A 39 20.449 3.142 -2.650 1.00 1.30 H new ATOM 0 HB3 PHE A 39 18.822 2.826 -2.079 1.00 1.30 H new ATOM 0 HD1 PHE A 39 20.620 3.687 -5.250 1.00 63.51 H new ATOM 0 HD2 PHE A 39 17.402 1.577 -3.424 1.00 33.35 H new ATOM 0 HE1 PHE A 39 20.060 2.670 -7.416 1.00 22.13 H new ATOM 0 HE2 PHE A 39 16.839 0.559 -5.587 1.00 62.32 H new ATOM 0 HZ PHE A 39 18.164 1.108 -7.589 1.00 20.51 H new ATOM 603 N ALA A 40 16.911 5.322 -1.943 1.00 24.24 N ATOM 604 CA ALA A 40 15.918 5.627 -0.920 1.00 45.21 C ATOM 605 C ALA A 40 14.635 4.835 -1.147 1.00 43.20 C ATOM 606 O ALA A 40 14.346 4.410 -2.266 1.00 30.03 O ATOM 607 CB ALA A 40 15.623 7.120 -0.900 1.00 63.31 C ATOM 0 H ALA A 40 16.537 5.263 -2.890 1.00 24.24 H new ATOM 0 HA ALA A 40 16.327 5.336 0.047 1.00 45.21 H new ATOM 0 HB1 ALA A 40 14.880 7.334 -0.132 1.00 63.31 H new ATOM 0 HB2 ALA A 40 16.539 7.669 -0.682 1.00 63.31 H new ATOM 0 HB3 ALA A 40 15.238 7.428 -1.872 1.00 63.31 H new ATOM 613 N PHE A 41 13.869 4.640 -0.079 1.00 24.32 N ATOM 614 CA PHE A 41 12.617 3.897 -0.161 1.00 63.25 C ATOM 615 C PHE A 41 11.450 4.740 0.344 1.00 22.11 C ATOM 616 O PHE A 41 11.601 5.538 1.269 1.00 42.30 O ATOM 617 CB PHE A 41 12.714 2.602 0.648 1.00 73.34 C ATOM 618 CG PHE A 41 14.009 1.867 0.450 1.00 34.34 C ATOM 619 CD1 PHE A 41 14.554 1.725 -0.815 1.00 70.34 C ATOM 620 CD2 PHE A 41 14.681 1.318 1.531 1.00 53.42 C ATOM 621 CE1 PHE A 41 15.745 1.048 -1.000 1.00 10.15 C ATOM 622 CE2 PHE A 41 15.872 0.641 1.353 1.00 44.02 C ATOM 623 CZ PHE A 41 16.406 0.507 0.086 1.00 74.30 C ATOM 0 H PHE A 41 14.093 4.986 0.854 1.00 24.32 H new ATOM 0 HA PHE A 41 12.438 3.651 -1.208 1.00 63.25 H new ATOM 0 HB2 PHE A 41 12.596 2.834 1.706 1.00 73.34 H new ATOM 0 HB3 PHE A 41 11.888 1.947 0.371 1.00 73.34 H new ATOM 0 HD1 PHE A 41 14.043 2.148 -1.667 1.00 70.34 H new ATOM 0 HD2 PHE A 41 14.269 1.421 2.524 1.00 53.42 H new ATOM 0 HE1 PHE A 41 16.158 0.942 -1.992 1.00 10.15 H new ATOM 0 HE2 PHE A 41 16.385 0.217 2.203 1.00 44.02 H new ATOM 0 HZ PHE A 41 17.338 -0.020 -0.055 1.00 74.30 H new ATOM 633 N VAL A 42 10.286 4.557 -0.270 1.00 72.33 N ATOM 634 CA VAL A 42 9.092 5.299 0.117 1.00 41.23 C ATOM 635 C VAL A 42 7.873 4.386 0.177 1.00 55.43 C ATOM 636 O VAL A 42 7.758 3.436 -0.597 1.00 3.05 O ATOM 637 CB VAL A 42 8.808 6.454 -0.862 1.00 13.11 C ATOM 638 CG1 VAL A 42 7.521 7.171 -0.482 1.00 40.23 C ATOM 639 CG2 VAL A 42 9.979 7.424 -0.895 1.00 13.50 C ATOM 0 H VAL A 42 10.144 3.901 -1.038 1.00 72.33 H new ATOM 0 HA VAL A 42 9.282 5.711 1.108 1.00 41.23 H new ATOM 0 HB VAL A 42 8.683 6.038 -1.862 1.00 13.11 H new ATOM 0 HG11 VAL A 42 7.336 7.984 -1.184 1.00 40.23 H new ATOM 0 HG12 VAL A 42 6.689 6.467 -0.514 1.00 40.23 H new ATOM 0 HG13 VAL A 42 7.614 7.576 0.526 1.00 40.23 H new ATOM 0 HG21 VAL A 42 9.761 8.234 -1.592 1.00 13.50 H new ATOM 0 HG22 VAL A 42 10.139 7.836 0.102 1.00 13.50 H new ATOM 0 HG23 VAL A 42 10.878 6.899 -1.219 1.00 13.50 H new ATOM 649 N GLU A 43 6.963 4.683 1.100 1.00 22.41 N ATOM 650 CA GLU A 43 5.752 3.887 1.261 1.00 55.43 C ATOM 651 C GLU A 43 4.510 4.719 0.950 1.00 61.30 C ATOM 652 O GLU A 43 4.286 5.769 1.552 1.00 42.34 O ATOM 653 CB GLU A 43 5.664 3.332 2.684 1.00 50.40 C ATOM 654 CG GLU A 43 5.489 1.824 2.739 1.00 0.14 C ATOM 655 CD GLU A 43 6.698 1.118 3.322 1.00 33.30 C ATOM 656 OE1 GLU A 43 7.315 1.672 4.255 1.00 22.05 O ATOM 657 OE2 GLU A 43 7.026 0.012 2.845 1.00 62.41 O ATOM 0 H GLU A 43 7.042 5.468 1.747 1.00 22.41 H new ATOM 0 HA GLU A 43 5.798 3.056 0.558 1.00 55.43 H new ATOM 0 HB2 GLU A 43 6.568 3.604 3.228 1.00 50.40 H new ATOM 0 HB3 GLU A 43 4.828 3.805 3.199 1.00 50.40 H new ATOM 0 HG2 GLU A 43 4.610 1.585 3.338 1.00 0.14 H new ATOM 0 HG3 GLU A 43 5.302 1.447 1.734 1.00 0.14 H new ATOM 664 N PHE A 44 3.706 4.241 0.006 1.00 63.31 N ATOM 665 CA PHE A 44 2.488 4.939 -0.387 1.00 1.41 C ATOM 666 C PHE A 44 1.255 4.246 0.185 1.00 70.02 C ATOM 667 O PHE A 44 0.997 3.078 -0.106 1.00 12.53 O ATOM 668 CB PHE A 44 2.385 5.012 -1.912 1.00 25.22 C ATOM 669 CG PHE A 44 2.561 6.399 -2.459 1.00 53.52 C ATOM 670 CD1 PHE A 44 1.792 7.449 -1.982 1.00 21.11 C ATOM 671 CD2 PHE A 44 3.494 6.655 -3.451 1.00 24.43 C ATOM 672 CE1 PHE A 44 1.951 8.726 -2.485 1.00 10.55 C ATOM 673 CE2 PHE A 44 3.658 7.930 -3.957 1.00 11.31 C ATOM 674 CZ PHE A 44 2.886 8.968 -3.472 1.00 72.23 C ATOM 0 H PHE A 44 3.876 3.373 -0.501 1.00 63.31 H new ATOM 0 HA PHE A 44 2.534 5.951 0.015 1.00 1.41 H new ATOM 0 HB2 PHE A 44 3.139 4.359 -2.351 1.00 25.22 H new ATOM 0 HB3 PHE A 44 1.413 4.629 -2.221 1.00 25.22 H new ATOM 0 HD1 PHE A 44 1.060 7.267 -1.209 1.00 21.11 H new ATOM 0 HD2 PHE A 44 4.101 5.848 -3.833 1.00 24.43 H new ATOM 0 HE1 PHE A 44 1.344 9.535 -2.106 1.00 10.55 H new ATOM 0 HE2 PHE A 44 4.389 8.115 -4.731 1.00 11.31 H new ATOM 0 HZ PHE A 44 3.013 9.966 -3.864 1.00 72.23 H new ATOM 684 N GLU A 45 0.498 4.974 0.999 1.00 0.45 N ATOM 685 CA GLU A 45 -0.707 4.429 1.613 1.00 20.21 C ATOM 686 C GLU A 45 -1.621 3.808 0.560 1.00 4.30 C ATOM 687 O GLU A 45 -2.317 2.829 0.827 1.00 73.13 O ATOM 688 CB GLU A 45 -1.458 5.523 2.375 1.00 31.41 C ATOM 689 CG GLU A 45 -1.968 6.644 1.485 1.00 21.14 C ATOM 690 CD GLU A 45 -2.498 7.823 2.278 1.00 24.24 C ATOM 691 OE1 GLU A 45 -1.931 8.117 3.352 1.00 54.20 O ATOM 692 OE2 GLU A 45 -3.478 8.451 1.826 1.00 24.41 O ATOM 0 H GLU A 45 0.698 5.943 1.249 1.00 0.45 H new ATOM 0 HA GLU A 45 -0.406 3.650 2.313 1.00 20.21 H new ATOM 0 HB2 GLU A 45 -2.302 5.075 2.900 1.00 31.41 H new ATOM 0 HB3 GLU A 45 -0.798 5.944 3.133 1.00 31.41 H new ATOM 0 HG2 GLU A 45 -1.161 6.982 0.834 1.00 21.14 H new ATOM 0 HG3 GLU A 45 -2.758 6.260 0.840 1.00 21.14 H new ATOM 699 N ASP A 46 -1.612 4.386 -0.636 1.00 71.22 N ATOM 700 CA ASP A 46 -2.439 3.890 -1.730 1.00 50.34 C ATOM 701 C ASP A 46 -1.600 3.655 -2.982 1.00 63.13 C ATOM 702 O ASP A 46 -0.595 4.325 -3.221 1.00 22.02 O ATOM 703 CB ASP A 46 -3.565 4.879 -2.035 1.00 15.00 C ATOM 704 CG ASP A 46 -4.809 4.612 -1.210 1.00 31.10 C ATOM 705 OD1 ASP A 46 -5.426 3.542 -1.395 1.00 24.51 O ATOM 706 OD2 ASP A 46 -5.165 5.473 -0.379 1.00 33.22 O ATOM 0 H ASP A 46 -1.042 5.198 -0.873 1.00 71.22 H new ATOM 0 HA ASP A 46 -2.874 2.939 -1.422 1.00 50.34 H new ATOM 0 HB2 ASP A 46 -3.216 5.893 -1.843 1.00 15.00 H new ATOM 0 HB3 ASP A 46 -3.816 4.824 -3.094 1.00 15.00 H new ATOM 711 N PRO A 47 -2.019 2.679 -3.802 1.00 14.42 N ATOM 712 CA PRO A 47 -1.320 2.333 -5.043 1.00 33.43 C ATOM 713 C PRO A 47 -1.454 3.417 -6.106 1.00 0.51 C ATOM 714 O PRO A 47 -0.484 3.758 -6.784 1.00 34.00 O ATOM 715 CB PRO A 47 -2.020 1.049 -5.497 1.00 51.32 C ATOM 716 CG PRO A 47 -3.379 1.124 -4.891 1.00 60.22 C ATOM 717 CD PRO A 47 -3.209 1.840 -3.580 1.00 50.32 C ATOM 0 HA PRO A 47 -0.247 2.219 -4.888 1.00 33.43 H new ATOM 0 HB2 PRO A 47 -2.074 0.991 -6.584 1.00 51.32 H new ATOM 0 HB3 PRO A 47 -1.483 0.164 -5.157 1.00 51.32 H new ATOM 0 HG2 PRO A 47 -4.068 1.662 -5.543 1.00 60.22 H new ATOM 0 HG3 PRO A 47 -3.795 0.128 -4.740 1.00 60.22 H new ATOM 0 HD2 PRO A 47 -4.084 2.441 -3.334 1.00 50.32 H new ATOM 0 HD3 PRO A 47 -3.060 1.141 -2.757 1.00 50.32 H new ATOM 725 N ARG A 48 -2.660 3.957 -6.246 1.00 34.01 N ATOM 726 CA ARG A 48 -2.920 5.003 -7.228 1.00 13.14 C ATOM 727 C ARG A 48 -1.886 6.119 -7.119 1.00 44.35 C ATOM 728 O ARG A 48 -1.310 6.545 -8.121 1.00 51.01 O ATOM 729 CB ARG A 48 -4.326 5.575 -7.034 1.00 42.54 C ATOM 730 CG ARG A 48 -4.704 6.623 -8.068 1.00 40.53 C ATOM 731 CD ARG A 48 -5.717 7.613 -7.514 1.00 4.24 C ATOM 732 NE ARG A 48 -6.938 6.952 -7.062 1.00 61.34 N ATOM 733 CZ ARG A 48 -8.029 7.605 -6.679 1.00 40.30 C ATOM 734 NH1 ARG A 48 -8.051 8.931 -6.693 1.00 22.14 N ATOM 735 NH2 ARG A 48 -9.101 6.933 -6.281 1.00 74.44 N ATOM 0 H ARG A 48 -3.473 3.687 -5.692 1.00 34.01 H new ATOM 0 HA ARG A 48 -2.849 4.561 -8.222 1.00 13.14 H new ATOM 0 HB2 ARG A 48 -5.049 4.760 -7.073 1.00 42.54 H new ATOM 0 HB3 ARG A 48 -4.396 6.016 -6.040 1.00 42.54 H new ATOM 0 HG2 ARG A 48 -3.810 7.157 -8.390 1.00 40.53 H new ATOM 0 HG3 ARG A 48 -5.117 6.133 -8.950 1.00 40.53 H new ATOM 0 HD2 ARG A 48 -5.272 8.160 -6.683 1.00 4.24 H new ATOM 0 HD3 ARG A 48 -5.965 8.346 -8.282 1.00 4.24 H new ATOM 0 HE ARG A 48 -6.954 5.932 -7.039 1.00 61.34 H new ATOM 0 HH11 ARG A 48 -7.229 9.452 -6.998 1.00 22.14 H new ATOM 0 HH12 ARG A 48 -8.890 9.430 -6.398 1.00 22.14 H new ATOM 0 HH21 ARG A 48 -9.088 5.913 -6.269 1.00 74.44 H new ATOM 0 HH22 ARG A 48 -9.938 7.436 -5.987 1.00 74.44 H new ATOM 749 N ASP A 49 -1.655 6.589 -5.898 1.00 60.24 N ATOM 750 CA ASP A 49 -0.689 7.655 -5.659 1.00 14.11 C ATOM 751 C ASP A 49 0.708 7.233 -6.102 1.00 73.24 C ATOM 752 O ASP A 49 1.483 8.047 -6.603 1.00 61.42 O ATOM 753 CB ASP A 49 -0.675 8.035 -4.178 1.00 4.55 C ATOM 754 CG ASP A 49 -2.067 8.265 -3.625 1.00 14.42 C ATOM 755 OD1 ASP A 49 -2.973 8.594 -4.419 1.00 14.34 O ATOM 756 OD2 ASP A 49 -2.251 8.117 -2.398 1.00 54.33 O ATOM 0 H ASP A 49 -2.124 6.249 -5.058 1.00 60.24 H new ATOM 0 HA ASP A 49 -0.989 8.523 -6.247 1.00 14.11 H new ATOM 0 HB2 ASP A 49 -0.187 7.244 -3.608 1.00 4.55 H new ATOM 0 HB3 ASP A 49 -0.080 8.938 -4.044 1.00 4.55 H new ATOM 761 N ALA A 50 1.022 5.955 -5.914 1.00 0.33 N ATOM 762 CA ALA A 50 2.325 5.425 -6.295 1.00 70.21 C ATOM 763 C ALA A 50 2.455 5.325 -7.811 1.00 52.12 C ATOM 764 O ALA A 50 3.498 5.652 -8.376 1.00 52.13 O ATOM 765 CB ALA A 50 2.549 4.063 -5.654 1.00 11.54 C ATOM 0 H ALA A 50 0.392 5.268 -5.500 1.00 0.33 H new ATOM 0 HA ALA A 50 3.089 6.114 -5.935 1.00 70.21 H new ATOM 0 HB1 ALA A 50 3.526 3.679 -5.947 1.00 11.54 H new ATOM 0 HB2 ALA A 50 2.508 4.160 -4.569 1.00 11.54 H new ATOM 0 HB3 ALA A 50 1.773 3.373 -5.986 1.00 11.54 H new ATOM 771 N GLU A 51 1.389 4.871 -8.463 1.00 61.13 N ATOM 772 CA GLU A 51 1.386 4.727 -9.914 1.00 42.13 C ATOM 773 C GLU A 51 1.589 6.078 -10.595 1.00 62.53 C ATOM 774 O GLU A 51 2.398 6.206 -11.514 1.00 61.15 O ATOM 775 CB GLU A 51 0.072 4.099 -10.384 1.00 44.02 C ATOM 776 CG GLU A 51 0.251 2.752 -11.063 1.00 74.45 C ATOM 777 CD GLU A 51 -0.653 1.681 -10.482 1.00 42.33 C ATOM 778 OE1 GLU A 51 -1.803 2.008 -10.121 1.00 42.52 O ATOM 779 OE2 GLU A 51 -0.210 0.517 -10.388 1.00 54.53 O ATOM 0 H GLU A 51 0.517 4.597 -8.010 1.00 61.13 H new ATOM 0 HA GLU A 51 2.212 4.072 -10.190 1.00 42.13 H new ATOM 0 HB2 GLU A 51 -0.591 3.979 -9.527 1.00 44.02 H new ATOM 0 HB3 GLU A 51 -0.421 4.782 -11.075 1.00 44.02 H new ATOM 0 HG2 GLU A 51 0.046 2.856 -12.128 1.00 74.45 H new ATOM 0 HG3 GLU A 51 1.290 2.436 -10.968 1.00 74.45 H new ATOM 786 N ASP A 52 0.849 7.081 -10.138 1.00 12.21 N ATOM 787 CA ASP A 52 0.947 8.423 -10.702 1.00 30.54 C ATOM 788 C ASP A 52 2.293 9.056 -10.365 1.00 1.30 C ATOM 789 O ASP A 52 2.926 9.681 -11.215 1.00 62.15 O ATOM 790 CB ASP A 52 -0.190 9.303 -10.180 1.00 22.43 C ATOM 791 CG ASP A 52 -1.528 8.945 -10.796 1.00 12.23 C ATOM 792 OD1 ASP A 52 -1.856 7.741 -10.846 1.00 20.10 O ATOM 793 OD2 ASP A 52 -2.248 9.870 -11.227 1.00 33.34 O ATOM 0 H ASP A 52 0.174 6.991 -9.378 1.00 12.21 H new ATOM 0 HA ASP A 52 0.865 8.342 -11.786 1.00 30.54 H new ATOM 0 HB2 ASP A 52 -0.254 9.204 -9.096 1.00 22.43 H new ATOM 0 HB3 ASP A 52 0.036 10.348 -10.392 1.00 22.43 H new ATOM 798 N ALA A 53 2.724 8.892 -9.118 1.00 73.45 N ATOM 799 CA ALA A 53 3.995 9.447 -8.670 1.00 33.43 C ATOM 800 C ALA A 53 5.163 8.825 -9.427 1.00 41.23 C ATOM 801 O ALA A 53 5.948 9.529 -10.063 1.00 61.44 O ATOM 802 CB ALA A 53 4.163 9.237 -7.172 1.00 72.12 C ATOM 0 H ALA A 53 2.211 8.379 -8.401 1.00 73.45 H new ATOM 0 HA ALA A 53 3.990 10.517 -8.878 1.00 33.43 H new ATOM 0 HB1 ALA A 53 5.116 9.656 -6.851 1.00 72.12 H new ATOM 0 HB2 ALA A 53 3.351 9.734 -6.642 1.00 72.12 H new ATOM 0 HB3 ALA A 53 4.142 8.170 -6.950 1.00 72.12 H new ATOM 808 N VAL A 54 5.273 7.502 -9.354 1.00 43.55 N ATOM 809 CA VAL A 54 6.346 6.786 -10.034 1.00 1.11 C ATOM 810 C VAL A 54 6.361 7.103 -11.525 1.00 14.51 C ATOM 811 O VAL A 54 7.386 7.505 -12.075 1.00 4.15 O ATOM 812 CB VAL A 54 6.211 5.263 -9.846 1.00 4.44 C ATOM 813 CG1 VAL A 54 7.280 4.530 -10.641 1.00 45.12 C ATOM 814 CG2 VAL A 54 6.290 4.900 -8.370 1.00 50.44 C ATOM 0 H VAL A 54 4.632 6.905 -8.831 1.00 43.55 H new ATOM 0 HA VAL A 54 7.282 7.119 -9.586 1.00 1.11 H new ATOM 0 HB VAL A 54 5.236 4.953 -10.222 1.00 4.44 H new ATOM 0 HG11 VAL A 54 7.169 3.455 -10.496 1.00 45.12 H new ATOM 0 HG12 VAL A 54 7.172 4.766 -11.700 1.00 45.12 H new ATOM 0 HG13 VAL A 54 8.266 4.842 -10.298 1.00 45.12 H new ATOM 0 HG21 VAL A 54 6.193 3.820 -8.255 1.00 50.44 H new ATOM 0 HG22 VAL A 54 7.250 5.223 -7.967 1.00 50.44 H new ATOM 0 HG23 VAL A 54 5.484 5.396 -7.830 1.00 50.44 H new ATOM 824 N ARG A 55 5.215 6.921 -12.174 1.00 45.13 N ATOM 825 CA ARG A 55 5.096 7.187 -13.603 1.00 3.33 C ATOM 826 C ARG A 55 5.485 8.628 -13.921 1.00 53.24 C ATOM 827 O ARG A 55 6.121 8.900 -14.939 1.00 32.13 O ATOM 828 CB ARG A 55 3.667 6.916 -14.076 1.00 41.42 C ATOM 829 CG ARG A 55 3.320 5.439 -14.150 1.00 71.53 C ATOM 830 CD ARG A 55 1.870 5.227 -14.556 1.00 33.41 C ATOM 831 NE ARG A 55 1.728 5.021 -15.995 1.00 3.21 N ATOM 832 CZ ARG A 55 2.053 3.890 -16.611 1.00 73.01 C ATOM 833 NH1 ARG A 55 2.534 2.868 -15.917 1.00 61.24 N ATOM 834 NH2 ARG A 55 1.895 3.780 -17.924 1.00 61.50 N ATOM 0 H ARG A 55 4.356 6.591 -11.733 1.00 45.13 H new ATOM 0 HA ARG A 55 5.778 6.520 -14.130 1.00 3.33 H new ATOM 0 HB2 ARG A 55 2.970 7.411 -13.400 1.00 41.42 H new ATOM 0 HB3 ARG A 55 3.528 7.363 -15.060 1.00 41.42 H new ATOM 0 HG2 ARG A 55 3.976 4.946 -14.867 1.00 71.53 H new ATOM 0 HG3 ARG A 55 3.500 4.973 -13.181 1.00 71.53 H new ATOM 0 HD2 ARG A 55 1.468 4.364 -14.025 1.00 33.41 H new ATOM 0 HD3 ARG A 55 1.279 6.092 -14.254 1.00 33.41 H new ATOM 0 HE ARG A 55 1.359 5.788 -16.558 1.00 3.21 H new ATOM 0 HH11 ARG A 55 2.655 2.949 -14.907 1.00 61.24 H new ATOM 0 HH12 ARG A 55 2.783 2.001 -16.393 1.00 61.24 H new ATOM 0 HH21 ARG A 55 1.524 4.564 -18.460 1.00 61.50 H new ATOM 0 HH22 ARG A 55 2.145 2.911 -18.397 1.00 61.50 H new ATOM 848 N GLY A 56 5.096 9.548 -13.044 1.00 3.52 N ATOM 849 CA GLY A 56 5.412 10.950 -13.250 1.00 31.12 C ATOM 850 C GLY A 56 6.886 11.246 -13.059 1.00 42.23 C ATOM 851 O GLY A 56 7.573 11.647 -14.000 1.00 1.42 O ATOM 0 H GLY A 56 4.568 9.348 -12.195 1.00 3.52 H new ATOM 0 HA2 GLY A 56 5.113 11.242 -14.257 1.00 31.12 H new ATOM 0 HA3 GLY A 56 4.830 11.556 -12.556 1.00 31.12 H new ATOM 855 N LEU A 57 7.374 11.050 -11.840 1.00 5.55 N ATOM 856 CA LEU A 57 8.777 11.301 -11.528 1.00 24.03 C ATOM 857 C LEU A 57 9.692 10.550 -12.491 1.00 13.43 C ATOM 858 O LEU A 57 10.556 11.146 -13.133 1.00 43.43 O ATOM 859 CB LEU A 57 9.082 10.885 -10.088 1.00 24.43 C ATOM 860 CG LEU A 57 8.215 11.527 -9.005 1.00 54.31 C ATOM 861 CD1 LEU A 57 8.674 11.089 -7.623 1.00 52.21 C ATOM 862 CD2 LEU A 57 8.249 13.044 -9.125 1.00 32.13 C ATOM 0 H LEU A 57 6.819 10.718 -11.051 1.00 5.55 H new ATOM 0 HA LEU A 57 8.963 12.369 -11.638 1.00 24.03 H new ATOM 0 HB2 LEU A 57 8.978 9.803 -10.014 1.00 24.43 H new ATOM 0 HB3 LEU A 57 10.125 11.120 -9.877 1.00 24.43 H new ATOM 0 HG LEU A 57 7.187 11.194 -9.145 1.00 54.31 H new ATOM 0 HD11 LEU A 57 8.045 11.556 -6.866 1.00 52.21 H new ATOM 0 HD12 LEU A 57 8.597 10.005 -7.541 1.00 52.21 H new ATOM 0 HD13 LEU A 57 9.710 11.391 -7.471 1.00 52.21 H new ATOM 0 HD21 LEU A 57 7.626 13.485 -8.346 1.00 32.13 H new ATOM 0 HD22 LEU A 57 9.275 13.395 -9.012 1.00 32.13 H new ATOM 0 HD23 LEU A 57 7.870 13.340 -10.103 1.00 32.13 H new ATOM 874 N ASP A 58 9.493 9.240 -12.587 1.00 2.42 N ATOM 875 CA ASP A 58 10.298 8.408 -13.474 1.00 55.30 C ATOM 876 C ASP A 58 10.066 8.788 -14.933 1.00 74.33 C ATOM 877 O ASP A 58 10.991 8.772 -15.744 1.00 73.41 O ATOM 878 CB ASP A 58 9.968 6.930 -13.260 1.00 12.21 C ATOM 879 CG ASP A 58 10.888 6.013 -14.041 1.00 21.33 C ATOM 880 OD1 ASP A 58 12.071 6.370 -14.217 1.00 43.24 O ATOM 881 OD2 ASP A 58 10.425 4.937 -14.476 1.00 11.41 O ATOM 0 H ASP A 58 8.782 8.732 -12.062 1.00 2.42 H new ATOM 0 HA ASP A 58 11.348 8.576 -13.236 1.00 55.30 H new ATOM 0 HB2 ASP A 58 10.041 6.694 -12.198 1.00 12.21 H new ATOM 0 HB3 ASP A 58 8.936 6.744 -13.558 1.00 12.21 H new ATOM 886 N GLY A 59 8.823 9.128 -15.261 1.00 13.32 N ATOM 887 CA GLY A 59 8.491 9.506 -16.622 1.00 62.43 C ATOM 888 C GLY A 59 9.031 10.873 -16.993 1.00 22.41 C ATOM 889 O GLY A 59 9.111 11.219 -18.172 1.00 30.33 O ATOM 0 H GLY A 59 8.040 9.148 -14.608 1.00 13.32 H new ATOM 0 HA2 GLY A 59 8.891 8.762 -17.310 1.00 62.43 H new ATOM 0 HA3 GLY A 59 7.408 9.502 -16.743 1.00 62.43 H new ATOM 893 N LYS A 60 9.402 11.654 -15.984 1.00 61.21 N ATOM 894 CA LYS A 60 9.937 12.992 -16.208 1.00 61.43 C ATOM 895 C LYS A 60 10.612 13.526 -14.949 1.00 65.51 C ATOM 896 O LYS A 60 10.006 13.570 -13.879 1.00 1.33 O ATOM 897 CB LYS A 60 8.821 13.943 -16.644 1.00 14.33 C ATOM 898 CG LYS A 60 9.319 15.319 -17.052 1.00 72.22 C ATOM 899 CD LYS A 60 9.832 15.324 -18.482 1.00 71.14 C ATOM 900 CE LYS A 60 10.776 16.490 -18.732 1.00 11.22 C ATOM 901 NZ LYS A 60 10.534 17.126 -20.056 1.00 54.52 N ATOM 0 H LYS A 60 9.342 11.383 -15.002 1.00 61.21 H new ATOM 0 HA LYS A 60 10.683 12.930 -17.000 1.00 61.43 H new ATOM 0 HB2 LYS A 60 8.282 13.498 -17.481 1.00 14.33 H new ATOM 0 HB3 LYS A 60 8.108 14.052 -15.827 1.00 14.33 H new ATOM 0 HG2 LYS A 60 8.511 16.044 -16.952 1.00 72.22 H new ATOM 0 HG3 LYS A 60 10.115 15.634 -16.378 1.00 72.22 H new ATOM 0 HD2 LYS A 60 10.348 14.386 -18.688 1.00 71.14 H new ATOM 0 HD3 LYS A 60 8.990 15.382 -19.171 1.00 71.14 H new ATOM 0 HE2 LYS A 60 10.652 17.233 -17.944 1.00 11.22 H new ATOM 0 HE3 LYS A 60 11.807 16.140 -18.680 1.00 11.22 H new ATOM 0 HZ1 LYS A 60 11.197 17.916 -20.188 1.00 54.52 H new ATOM 0 HZ2 LYS A 60 10.677 16.424 -20.810 1.00 54.52 H new ATOM 0 HZ3 LYS A 60 9.558 17.483 -20.096 1.00 54.52 H new ATOM 915 N VAL A 61 11.871 13.931 -15.085 1.00 1.03 N ATOM 916 CA VAL A 61 12.628 14.465 -13.958 1.00 71.45 C ATOM 917 C VAL A 61 11.815 15.502 -13.193 1.00 1.44 C ATOM 918 O VAL A 61 10.823 16.026 -13.700 1.00 32.02 O ATOM 919 CB VAL A 61 13.950 15.105 -14.423 1.00 74.42 C ATOM 920 CG1 VAL A 61 14.725 14.144 -15.311 1.00 62.42 C ATOM 921 CG2 VAL A 61 13.681 16.415 -15.149 1.00 34.55 C ATOM 0 H VAL A 61 12.388 13.900 -15.964 1.00 1.03 H new ATOM 0 HA VAL A 61 12.852 13.625 -13.300 1.00 71.45 H new ATOM 0 HB VAL A 61 14.558 15.321 -13.544 1.00 74.42 H new ATOM 0 HG11 VAL A 61 15.656 14.613 -15.630 1.00 62.42 H new ATOM 0 HG12 VAL A 61 14.949 13.234 -14.754 1.00 62.42 H new ATOM 0 HG13 VAL A 61 14.126 13.894 -16.187 1.00 62.42 H new ATOM 0 HG21 VAL A 61 14.626 16.853 -15.470 1.00 34.55 H new ATOM 0 HG22 VAL A 61 13.054 16.226 -16.020 1.00 34.55 H new ATOM 0 HG23 VAL A 61 13.171 17.105 -14.477 1.00 34.55 H new ATOM 931 N ILE A 62 12.243 15.795 -11.969 1.00 52.31 N ATOM 932 CA ILE A 62 11.555 16.772 -11.134 1.00 4.13 C ATOM 933 C ILE A 62 12.488 17.914 -10.742 1.00 75.25 C ATOM 934 O ILE A 62 13.468 17.710 -10.026 1.00 1.24 O ATOM 935 CB ILE A 62 10.993 16.123 -9.856 1.00 34.15 C ATOM 936 CG1 ILE A 62 10.365 17.186 -8.951 1.00 64.11 C ATOM 937 CG2 ILE A 62 12.089 15.371 -9.116 1.00 63.24 C ATOM 938 CD1 ILE A 62 9.248 17.960 -9.614 1.00 14.12 C ATOM 0 H ILE A 62 13.062 15.370 -11.534 1.00 52.31 H new ATOM 0 HA ILE A 62 10.729 17.167 -11.725 1.00 4.13 H new ATOM 0 HB ILE A 62 10.219 15.410 -10.140 1.00 34.15 H new ATOM 0 HG12 ILE A 62 9.979 16.705 -8.052 1.00 64.11 H new ATOM 0 HG13 ILE A 62 11.140 17.883 -8.632 1.00 64.11 H new ATOM 0 HG21 ILE A 62 11.675 14.918 -8.215 1.00 63.24 H new ATOM 0 HG22 ILE A 62 12.494 14.591 -9.761 1.00 63.24 H new ATOM 0 HG23 ILE A 62 12.884 16.064 -8.841 1.00 63.24 H new ATOM 0 HD11 ILE A 62 8.850 18.695 -8.915 1.00 14.12 H new ATOM 0 HD12 ILE A 62 9.633 18.470 -10.497 1.00 14.12 H new ATOM 0 HD13 ILE A 62 8.455 17.273 -9.909 1.00 14.12 H new ATOM 950 N CYS A 63 12.174 19.115 -11.216 1.00 62.52 N ATOM 951 CA CYS A 63 12.983 20.290 -10.915 1.00 44.32 C ATOM 952 C CYS A 63 14.457 20.024 -11.202 1.00 64.23 C ATOM 953 O CYS A 63 15.332 20.420 -10.433 1.00 32.22 O ATOM 954 CB CYS A 63 12.802 20.699 -9.453 1.00 11.03 C ATOM 955 SG CYS A 63 12.952 22.477 -9.159 1.00 25.20 S ATOM 0 H CYS A 63 11.366 19.300 -11.810 1.00 62.52 H new ATOM 0 HA CYS A 63 12.648 21.105 -11.557 1.00 44.32 H new ATOM 0 HB2 CYS A 63 11.821 20.367 -9.113 1.00 11.03 H new ATOM 0 HB3 CYS A 63 13.543 20.178 -8.847 1.00 11.03 H new ATOM 0 HG CYS A 63 12.781 22.724 -7.894 1.00 25.20 H new ATOM 961 N GLY A 64 14.726 19.348 -12.316 1.00 14.04 N ATOM 962 CA GLY A 64 16.095 19.038 -12.684 1.00 13.32 C ATOM 963 C GLY A 64 16.670 17.897 -11.869 1.00 3.11 C ATOM 964 O GLY A 64 17.873 17.855 -11.610 1.00 51.00 O ATOM 0 H GLY A 64 14.020 19.010 -12.970 1.00 14.04 H new ATOM 0 HA2 GLY A 64 16.134 18.780 -13.742 1.00 13.32 H new ATOM 0 HA3 GLY A 64 16.714 19.925 -12.549 1.00 13.32 H new ATOM 968 N SER A 65 15.810 16.970 -11.462 1.00 75.51 N ATOM 969 CA SER A 65 16.238 15.825 -10.667 1.00 4.03 C ATOM 970 C SER A 65 15.777 14.518 -11.304 1.00 23.45 C ATOM 971 O SER A 65 14.641 14.086 -11.108 1.00 21.24 O ATOM 972 CB SER A 65 15.690 15.933 -9.242 1.00 64.14 C ATOM 973 OG SER A 65 16.077 17.155 -8.638 1.00 50.24 O ATOM 0 H SER A 65 14.812 16.989 -11.670 1.00 75.51 H new ATOM 0 HA SER A 65 17.327 15.826 -10.631 1.00 4.03 H new ATOM 0 HB2 SER A 65 14.603 15.861 -9.261 1.00 64.14 H new ATOM 0 HB3 SER A 65 16.054 15.097 -8.645 1.00 64.14 H new ATOM 0 HG SER A 65 15.406 17.842 -8.831 1.00 50.24 H new ATOM 979 N ARG A 66 16.668 13.892 -12.067 1.00 14.22 N ATOM 980 CA ARG A 66 16.353 12.635 -12.734 1.00 32.20 C ATOM 981 C ARG A 66 16.440 11.465 -11.758 1.00 73.12 C ATOM 982 O ARG A 66 17.270 10.570 -11.918 1.00 75.30 O ATOM 983 CB ARG A 66 17.305 12.404 -13.909 1.00 54.22 C ATOM 984 CG ARG A 66 18.774 12.455 -13.522 1.00 74.32 C ATOM 985 CD ARG A 66 19.472 13.656 -14.141 1.00 33.40 C ATOM 986 NE ARG A 66 20.903 13.426 -14.316 1.00 44.20 N ATOM 987 CZ ARG A 66 21.714 14.277 -14.936 1.00 14.14 C ATOM 988 NH1 ARG A 66 21.236 15.408 -15.436 1.00 75.12 N ATOM 989 NH2 ARG A 66 23.005 13.998 -15.055 1.00 63.21 N ATOM 0 H ARG A 66 17.613 14.235 -12.238 1.00 14.22 H new ATOM 0 HA ARG A 66 15.332 12.698 -13.109 1.00 32.20 H new ATOM 0 HB2 ARG A 66 17.089 11.433 -14.355 1.00 54.22 H new ATOM 0 HB3 ARG A 66 17.113 13.156 -14.674 1.00 54.22 H new ATOM 0 HG2 ARG A 66 18.864 12.500 -12.437 1.00 74.32 H new ATOM 0 HG3 ARG A 66 19.269 11.539 -13.845 1.00 74.32 H new ATOM 0 HD2 ARG A 66 19.020 13.880 -15.107 1.00 33.40 H new ATOM 0 HD3 ARG A 66 19.320 14.530 -13.508 1.00 33.40 H new ATOM 0 HE ARG A 66 21.302 12.565 -13.942 1.00 44.20 H new ATOM 0 HH11 ARG A 66 20.244 15.627 -15.345 1.00 75.12 H new ATOM 0 HH12 ARG A 66 21.860 16.060 -15.911 1.00 75.12 H new ATOM 0 HH21 ARG A 66 23.377 13.129 -14.670 1.00 63.21 H new ATOM 0 HH22 ARG A 66 23.626 14.652 -15.531 1.00 63.21 H new ATOM 1003 N VAL A 67 15.577 11.479 -10.747 1.00 5.45 N ATOM 1004 CA VAL A 67 15.556 10.420 -9.745 1.00 1.10 C ATOM 1005 C VAL A 67 15.055 9.110 -10.342 1.00 21.33 C ATOM 1006 O VAL A 67 14.381 9.103 -11.372 1.00 22.51 O ATOM 1007 CB VAL A 67 14.666 10.799 -8.546 1.00 62.02 C ATOM 1008 CG1 VAL A 67 14.933 9.873 -7.369 1.00 44.41 C ATOM 1009 CG2 VAL A 67 14.891 12.252 -8.155 1.00 31.44 C ATOM 0 H VAL A 67 14.883 12.212 -10.600 1.00 5.45 H new ATOM 0 HA VAL A 67 16.582 10.290 -9.399 1.00 1.10 H new ATOM 0 HB VAL A 67 13.622 10.683 -8.838 1.00 62.02 H new ATOM 0 HG11 VAL A 67 14.295 10.156 -6.531 1.00 44.41 H new ATOM 0 HG12 VAL A 67 14.717 8.845 -7.659 1.00 44.41 H new ATOM 0 HG13 VAL A 67 15.979 9.954 -7.072 1.00 44.41 H new ATOM 0 HG21 VAL A 67 14.255 12.503 -7.307 1.00 31.44 H new ATOM 0 HG22 VAL A 67 15.936 12.397 -7.880 1.00 31.44 H new ATOM 0 HG23 VAL A 67 14.644 12.898 -8.998 1.00 31.44 H new ATOM 1019 N ARG A 68 15.389 8.002 -9.687 1.00 55.21 N ATOM 1020 CA ARG A 68 14.973 6.685 -10.153 1.00 70.23 C ATOM 1021 C ARG A 68 13.885 6.107 -9.252 1.00 42.44 C ATOM 1022 O ARG A 68 14.156 5.679 -8.131 1.00 22.14 O ATOM 1023 CB ARG A 68 16.171 5.735 -10.197 1.00 61.45 C ATOM 1024 CG ARG A 68 15.831 4.349 -10.722 1.00 12.20 C ATOM 1025 CD ARG A 68 16.790 3.918 -11.820 1.00 42.22 C ATOM 1026 NE ARG A 68 16.202 4.063 -13.149 1.00 35.50 N ATOM 1027 CZ ARG A 68 16.837 3.748 -14.272 1.00 51.23 C ATOM 1028 NH1 ARG A 68 18.074 3.274 -14.228 1.00 23.14 N ATOM 1029 NH2 ARG A 68 16.234 3.908 -15.444 1.00 23.53 N ATOM 0 H ARG A 68 15.946 7.991 -8.833 1.00 55.21 H new ATOM 0 HA ARG A 68 14.567 6.795 -11.159 1.00 70.23 H new ATOM 0 HB2 ARG A 68 16.947 6.172 -10.825 1.00 61.45 H new ATOM 0 HB3 ARG A 68 16.587 5.642 -9.194 1.00 61.45 H new ATOM 0 HG2 ARG A 68 15.867 3.630 -9.904 1.00 12.20 H new ATOM 0 HG3 ARG A 68 14.811 4.344 -11.106 1.00 12.20 H new ATOM 0 HD2 ARG A 68 17.701 4.514 -11.760 1.00 42.22 H new ATOM 0 HD3 ARG A 68 17.078 2.879 -11.662 1.00 42.22 H new ATOM 0 HE ARG A 68 15.251 4.426 -13.218 1.00 35.50 H new ATOM 0 HH11 ARG A 68 18.541 3.150 -13.330 1.00 23.14 H new ATOM 0 HH12 ARG A 68 18.559 3.033 -15.092 1.00 23.14 H new ATOM 0 HH21 ARG A 68 15.282 4.273 -15.482 1.00 23.53 H new ATOM 0 HH22 ARG A 68 16.722 3.666 -16.306 1.00 23.53 H new ATOM 1043 N VAL A 69 12.653 6.100 -9.751 1.00 61.12 N ATOM 1044 CA VAL A 69 11.524 5.575 -8.992 1.00 62.03 C ATOM 1045 C VAL A 69 11.046 4.246 -9.567 1.00 1.23 C ATOM 1046 O VAL A 69 11.015 4.060 -10.783 1.00 4.13 O ATOM 1047 CB VAL A 69 10.347 6.568 -8.977 1.00 43.54 C ATOM 1048 CG1 VAL A 69 9.273 6.109 -8.004 1.00 33.11 C ATOM 1049 CG2 VAL A 69 10.835 7.966 -8.626 1.00 33.15 C ATOM 0 H VAL A 69 12.411 6.452 -10.677 1.00 61.12 H new ATOM 0 HA VAL A 69 11.873 5.422 -7.971 1.00 62.03 H new ATOM 0 HB VAL A 69 9.909 6.601 -9.974 1.00 43.54 H new ATOM 0 HG11 VAL A 69 8.450 6.823 -8.007 1.00 33.11 H new ATOM 0 HG12 VAL A 69 8.904 5.129 -8.305 1.00 33.11 H new ATOM 0 HG13 VAL A 69 9.694 6.045 -7.001 1.00 33.11 H new ATOM 0 HG21 VAL A 69 9.991 8.655 -8.620 1.00 33.15 H new ATOM 0 HG22 VAL A 69 11.300 7.952 -7.640 1.00 33.15 H new ATOM 0 HG23 VAL A 69 11.565 8.293 -9.366 1.00 33.15 H new ATOM 1059 N GLU A 70 10.673 3.326 -8.683 1.00 63.41 N ATOM 1060 CA GLU A 70 10.197 2.013 -9.103 1.00 54.24 C ATOM 1061 C GLU A 70 9.113 1.500 -8.159 1.00 63.23 C ATOM 1062 O GLU A 70 8.935 2.022 -7.058 1.00 51.01 O ATOM 1063 CB GLU A 70 11.357 1.017 -9.155 1.00 40.15 C ATOM 1064 CG GLU A 70 11.149 -0.107 -10.156 1.00 65.40 C ATOM 1065 CD GLU A 70 12.380 -0.979 -10.318 1.00 12.13 C ATOM 1066 OE1 GLU A 70 13.503 -0.435 -10.275 1.00 52.20 O ATOM 1067 OE2 GLU A 70 12.219 -2.206 -10.487 1.00 11.14 O ATOM 0 H GLU A 70 10.691 3.465 -7.673 1.00 63.41 H new ATOM 0 HA GLU A 70 9.769 2.112 -10.101 1.00 54.24 H new ATOM 0 HB2 GLU A 70 12.273 1.552 -9.407 1.00 40.15 H new ATOM 0 HB3 GLU A 70 11.501 0.587 -8.164 1.00 40.15 H new ATOM 0 HG2 GLU A 70 10.311 -0.725 -9.834 1.00 65.40 H new ATOM 0 HG3 GLU A 70 10.879 0.318 -11.123 1.00 65.40 H new ATOM 1074 N LEU A 71 8.392 0.474 -8.598 1.00 41.11 N ATOM 1075 CA LEU A 71 7.325 -0.111 -7.793 1.00 41.14 C ATOM 1076 C LEU A 71 7.670 -1.541 -7.389 1.00 13.53 C ATOM 1077 O LEU A 71 7.917 -2.395 -8.240 1.00 11.23 O ATOM 1078 CB LEU A 71 6.006 -0.092 -8.568 1.00 43.12 C ATOM 1079 CG LEU A 71 4.979 0.948 -8.119 1.00 70.12 C ATOM 1080 CD1 LEU A 71 4.302 1.584 -9.323 1.00 71.13 C ATOM 1081 CD2 LEU A 71 3.947 0.315 -7.197 1.00 70.45 C ATOM 0 H LEU A 71 8.527 0.030 -9.506 1.00 41.11 H new ATOM 0 HA LEU A 71 7.216 0.487 -6.888 1.00 41.14 H new ATOM 0 HB2 LEU A 71 6.229 0.078 -9.621 1.00 43.12 H new ATOM 0 HB3 LEU A 71 5.550 -1.079 -8.494 1.00 43.12 H new ATOM 0 HG LEU A 71 5.500 1.730 -7.566 1.00 70.12 H new ATOM 0 HD11 LEU A 71 3.574 2.321 -8.984 1.00 71.13 H new ATOM 0 HD12 LEU A 71 5.051 2.073 -9.945 1.00 71.13 H new ATOM 0 HD13 LEU A 71 3.794 0.814 -9.904 1.00 71.13 H new ATOM 0 HD21 LEU A 71 3.224 1.070 -6.887 1.00 70.45 H new ATOM 0 HD22 LEU A 71 3.431 -0.487 -7.725 1.00 70.45 H new ATOM 0 HD23 LEU A 71 4.446 -0.092 -6.317 1.00 70.45 H new ATOM 1093 N SER A 72 7.682 -1.794 -6.084 1.00 21.01 N ATOM 1094 CA SER A 72 7.998 -3.120 -5.566 1.00 32.12 C ATOM 1095 C SER A 72 6.837 -4.083 -5.795 1.00 20.31 C ATOM 1096 O SER A 72 7.040 -5.253 -6.124 1.00 51.53 O ATOM 1097 CB SER A 72 8.324 -3.043 -4.073 1.00 65.12 C ATOM 1098 OG SER A 72 9.131 -4.137 -3.671 1.00 10.54 O ATOM 0 H SER A 72 7.477 -1.099 -5.367 1.00 21.01 H new ATOM 0 HA SER A 72 8.870 -3.495 -6.102 1.00 32.12 H new ATOM 0 HB2 SER A 72 8.840 -2.107 -3.858 1.00 65.12 H new ATOM 0 HB3 SER A 72 7.400 -3.037 -3.495 1.00 65.12 H new ATOM 0 HG SER A 72 9.965 -3.802 -3.280 1.00 10.54 H new