USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 756 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 5 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00155) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 15 TYR OH : rot 15:sc= -0.583 USER MOD Single : A 17 SER OG : rot 52:sc= 1.85 USER MOD Single : A 18 SER OG : rot 180:sc= -1.29 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 82:sc= 1.29 USER MOD Single : A 34 ASN : amide:sc= 0.808 K(o=0.81,f=-0.0033) USER MOD Single : A 37 MET CE :methyl -172:sc= -1.46 (180deg=-1.55) USER MOD Single : A 39 CYS SG : rot 73:sc= 1.19 USER MOD Single : A 41 SER OG : rot 74:sc= 1.2 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00272) USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 15 TYR OH : rot 15:sc= -0.567 USER MOD Single : B 17 SER OG : rot 53:sc= 1.85 USER MOD Single : B 18 SER OG : rot 180:sc= -1.29 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot 75:sc= 1.21 USER MOD Single : B 34 ASN : amide:sc= 0.912 K(o=0.91,f=-0.0089) USER MOD Single : B 37 MET CE :methyl -175:sc= -1.42 (180deg=-1.51) USER MOD Single : B 39 CYS SG : rot 71:sc= 1.16 USER MOD Single : B 41 SER OG : rot 70:sc= 1.17 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.641 10.064 3.608 1.00 0.41 N ATOM 75 CA LYS A 5 -1.437 9.359 3.178 1.00 0.36 C ATOM 76 C LYS A 5 -0.779 8.589 4.319 1.00 0.27 C ATOM 77 O LYS A 5 -0.293 7.481 4.116 1.00 0.25 O ATOM 78 CB LYS A 5 -0.444 10.335 2.527 1.00 0.42 C ATOM 79 CG LYS A 5 -0.236 11.636 3.296 1.00 0.41 C ATOM 80 CD LYS A 5 0.666 12.593 2.529 1.00 0.53 C ATOM 81 CE LYS A 5 0.641 13.997 3.121 1.00 0.73 C ATOM 82 NZ LYS A 5 1.132 14.027 4.523 1.00 1.14 N ATOM 0 HA LYS A 5 -1.741 8.622 2.434 1.00 0.36 H new ATOM 0 HB2 LYS A 5 0.518 9.835 2.418 1.00 0.42 H new ATOM 0 HB3 LYS A 5 -0.795 10.574 1.523 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -1.200 12.110 3.480 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.204 11.419 4.269 1.00 0.41 H new ATOM 0 HD2 LYS A 5 1.688 12.214 2.538 1.00 0.53 H new ATOM 0 HD3 LYS A 5 0.350 12.633 1.487 1.00 0.53 H new ATOM 0 HE2 LYS A 5 1.255 14.658 2.509 1.00 0.73 H new ATOM 0 HE3 LYS A 5 -0.377 14.385 3.087 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 1.112 15.005 4.877 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 0.521 13.431 5.118 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 2.107 13.666 4.557 1.00 1.14 H new ATOM 96 N GLU A 6 -0.764 9.176 5.509 1.00 0.30 N ATOM 97 CA GLU A 6 -0.225 8.499 6.686 1.00 0.36 C ATOM 98 C GLU A 6 -1.041 7.249 7.005 1.00 0.38 C ATOM 99 O GLU A 6 -0.493 6.158 7.177 1.00 0.41 O ATOM 100 CB GLU A 6 -0.233 9.442 7.892 1.00 0.49 C ATOM 101 CG GLU A 6 0.190 8.777 9.194 1.00 0.99 C ATOM 102 CD GLU A 6 -0.004 9.676 10.397 1.00 1.46 C ATOM 103 OE1 GLU A 6 -1.162 9.847 10.837 1.00 2.00 O ATOM 104 OE2 GLU A 6 0.997 10.223 10.905 1.00 2.11 O ATOM 0 H GLU A 6 -1.117 10.116 5.686 1.00 0.30 H new ATOM 0 HA GLU A 6 0.802 8.205 6.470 1.00 0.36 H new ATOM 0 HB2 GLU A 6 0.433 10.281 7.690 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -1.235 9.853 8.014 1.00 0.49 H new ATOM 0 HG2 GLU A 6 -0.384 7.861 9.333 1.00 0.99 H new ATOM 0 HG3 GLU A 6 1.239 8.488 9.126 1.00 0.99 H new ATOM 111 N GLU A 7 -2.352 7.425 7.073 1.00 0.41 N ATOM 112 CA GLU A 7 -3.255 6.341 7.430 1.00 0.48 C ATOM 113 C GLU A 7 -3.222 5.226 6.387 1.00 0.40 C ATOM 114 O GLU A 7 -3.307 4.046 6.731 1.00 0.40 O ATOM 115 CB GLU A 7 -4.674 6.874 7.632 1.00 0.61 C ATOM 116 CG GLU A 7 -4.743 7.945 8.711 1.00 0.75 C ATOM 117 CD GLU A 7 -6.153 8.249 9.170 1.00 0.95 C ATOM 118 OE1 GLU A 7 -6.696 7.474 9.985 1.00 1.68 O ATOM 119 OE2 GLU A 7 -6.712 9.279 8.745 1.00 1.25 O ATOM 0 H GLU A 7 -2.816 8.313 6.884 1.00 0.41 H new ATOM 0 HA GLU A 7 -2.917 5.911 8.373 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.042 7.285 6.692 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -5.334 6.049 7.900 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -4.151 7.624 9.568 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -4.287 8.860 8.333 1.00 0.75 H new ATOM 126 N ILE A 8 -3.070 5.590 5.120 1.00 0.37 N ATOM 127 CA ILE A 8 -2.934 4.591 4.070 1.00 0.36 C ATOM 128 C ILE A 8 -1.597 3.867 4.184 1.00 0.27 C ATOM 129 O ILE A 8 -1.542 2.646 4.061 1.00 0.25 O ATOM 130 CB ILE A 8 -3.090 5.194 2.654 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.534 5.649 2.439 1.00 0.54 C ATOM 132 CG2 ILE A 8 -2.686 4.183 1.586 1.00 0.42 C ATOM 133 CD1 ILE A 8 -4.832 6.068 1.018 1.00 0.96 C ATOM 0 H ILE A 8 -3.038 6.557 4.798 1.00 0.37 H new ATOM 0 HA ILE A 8 -3.745 3.877 4.212 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.429 6.057 2.569 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -5.207 4.838 2.718 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.746 6.484 3.107 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -2.804 4.630 0.599 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -1.645 3.896 1.732 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -3.320 3.300 1.663 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -5.874 6.378 0.941 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -4.185 6.900 0.741 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -4.652 5.229 0.346 1.00 0.96 H new ATOM 145 N ALA A 9 -0.527 4.616 4.434 1.00 0.25 N ATOM 146 CA ALA A 9 0.793 4.024 4.629 1.00 0.20 C ATOM 147 C ALA A 9 0.767 2.985 5.747 1.00 0.19 C ATOM 148 O ALA A 9 1.404 1.935 5.646 1.00 0.16 O ATOM 149 CB ALA A 9 1.816 5.104 4.937 1.00 0.21 C ATOM 0 H ALA A 9 -0.548 5.633 4.506 1.00 0.25 H new ATOM 0 HA ALA A 9 1.079 3.522 3.705 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.795 4.647 5.080 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.862 5.809 4.107 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.526 5.632 5.845 1.00 0.21 H new ATOM 155 N ALA A 10 0.016 3.284 6.802 1.00 0.24 N ATOM 156 CA ALA A 10 -0.162 2.356 7.910 1.00 0.25 C ATOM 157 C ALA A 10 -0.823 1.066 7.431 1.00 0.24 C ATOM 158 O ALA A 10 -0.391 -0.032 7.774 1.00 0.22 O ATOM 159 CB ALA A 10 -0.988 3.002 9.013 1.00 0.33 C ATOM 0 H ALA A 10 -0.481 4.168 6.912 1.00 0.24 H new ATOM 0 HA ALA A 10 0.820 2.107 8.313 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.113 2.297 9.835 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -0.477 3.894 9.375 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -1.966 3.279 8.620 1.00 0.33 H new ATOM 165 N LEU A 11 -1.866 1.211 6.622 1.00 0.27 N ATOM 166 CA LEU A 11 -2.561 0.066 6.044 1.00 0.30 C ATOM 167 C LEU A 11 -1.589 -0.740 5.188 1.00 0.26 C ATOM 168 O LEU A 11 -1.535 -1.969 5.264 1.00 0.29 O ATOM 169 CB LEU A 11 -3.745 0.566 5.194 1.00 0.38 C ATOM 170 CG LEU A 11 -4.837 -0.457 4.833 1.00 0.75 C ATOM 171 CD1 LEU A 11 -4.334 -1.503 3.849 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.377 -1.120 6.086 1.00 0.63 C ATOM 0 H LEU A 11 -2.251 2.116 6.350 1.00 0.27 H new ATOM 0 HA LEU A 11 -2.943 -0.577 6.837 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -4.218 1.391 5.727 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -3.345 0.974 4.266 1.00 0.38 H new ATOM 0 HG LEU A 11 -5.645 0.086 4.344 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -5.137 -2.205 3.622 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -4.010 -1.013 2.931 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -3.495 -2.042 4.288 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.148 -1.840 5.813 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -4.567 -1.634 6.604 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.804 -0.363 6.743 1.00 0.63 H new ATOM 184 N ILE A 12 -0.813 -0.020 4.398 1.00 0.21 N ATOM 185 CA ILE A 12 0.144 -0.609 3.478 1.00 0.20 C ATOM 186 C ILE A 12 1.185 -1.463 4.202 1.00 0.18 C ATOM 187 O ILE A 12 1.378 -2.633 3.861 1.00 0.20 O ATOM 188 CB ILE A 12 0.833 0.496 2.654 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.187 1.134 1.706 1.00 0.22 C ATOM 190 CG2 ILE A 12 2.023 -0.056 1.886 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.328 2.349 0.968 1.00 0.25 C ATOM 0 H ILE A 12 -0.829 1.000 4.377 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.406 -1.270 2.808 1.00 0.20 H new ATOM 0 HB ILE A 12 1.213 1.260 3.332 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.505 0.388 0.978 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.070 1.418 2.278 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.490 0.745 1.313 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.747 -0.471 2.587 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.686 -0.839 1.206 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.456 2.739 0.319 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.619 3.115 1.687 1.00 0.25 H new ATOM 0 HD13 ILE A 12 1.193 2.070 0.366 1.00 0.25 H new ATOM 203 N VAL A 13 1.845 -0.893 5.205 1.00 0.16 N ATOM 204 CA VAL A 13 2.864 -1.635 5.937 1.00 0.16 C ATOM 205 C VAL A 13 2.238 -2.785 6.722 1.00 0.16 C ATOM 206 O VAL A 13 2.827 -3.856 6.836 1.00 0.18 O ATOM 207 CB VAL A 13 3.697 -0.737 6.883 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.457 0.313 6.088 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.824 -0.075 7.937 1.00 0.14 C ATOM 0 H VAL A 13 1.696 0.064 5.525 1.00 0.16 H new ATOM 0 HA VAL A 13 3.548 -2.038 5.190 1.00 0.16 H new ATOM 0 HB VAL A 13 4.414 -1.376 7.399 1.00 0.15 H new ATOM 0 HG11 VAL A 13 5.037 0.936 6.769 1.00 0.16 H new ATOM 0 HG12 VAL A 13 5.129 -0.179 5.385 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.750 0.936 5.540 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.443 0.548 8.583 1.00 0.14 H new ATOM 0 HG22 VAL A 13 2.071 0.544 7.449 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.331 -0.842 8.535 1.00 0.14 H new ATOM 219 N ASN A 14 1.033 -2.562 7.243 1.00 0.18 N ATOM 220 CA ASN A 14 0.286 -3.610 7.934 1.00 0.21 C ATOM 221 C ASN A 14 0.043 -4.793 7.003 1.00 0.19 C ATOM 222 O ASN A 14 0.208 -5.952 7.390 1.00 0.20 O ATOM 223 CB ASN A 14 -1.058 -3.072 8.438 1.00 0.30 C ATOM 224 CG ASN A 14 -1.903 -4.141 9.112 1.00 0.42 C ATOM 225 OD1 ASN A 14 -1.384 -5.046 9.763 1.00 0.45 O ATOM 226 ND2 ASN A 14 -3.214 -4.044 8.952 1.00 0.57 N ATOM 0 H ASN A 14 0.553 -1.663 7.199 1.00 0.18 H new ATOM 0 HA ASN A 14 0.879 -3.941 8.787 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -0.878 -2.259 9.142 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.613 -2.651 7.600 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -3.832 -4.735 9.376 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.606 -3.278 8.404 1.00 0.57 H new ATOM 233 N TYR A 15 -0.320 -4.487 5.764 1.00 0.22 N ATOM 234 CA TYR A 15 -0.615 -5.517 4.782 1.00 0.24 C ATOM 235 C TYR A 15 0.623 -6.353 4.488 1.00 0.22 C ATOM 236 O TYR A 15 0.573 -7.579 4.542 1.00 0.23 O ATOM 237 CB TYR A 15 -1.162 -4.913 3.487 1.00 0.30 C ATOM 238 CG TYR A 15 -1.582 -5.965 2.484 1.00 0.39 C ATOM 239 CD1 TYR A 15 -2.722 -6.730 2.698 1.00 1.30 C ATOM 240 CD2 TYR A 15 -0.833 -6.208 1.339 1.00 1.19 C ATOM 241 CE1 TYR A 15 -3.106 -7.705 1.799 1.00 1.40 C ATOM 242 CE2 TYR A 15 -1.210 -7.184 0.435 1.00 1.21 C ATOM 243 CZ TYR A 15 -2.348 -7.929 0.672 1.00 0.65 C ATOM 244 OH TYR A 15 -2.728 -8.905 -0.220 1.00 0.80 O ATOM 0 H TYR A 15 -0.417 -3.533 5.417 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.383 -6.164 5.206 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -2.016 -4.277 3.720 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.401 -4.273 3.040 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -3.318 -6.559 3.582 1.00 1.30 H new ATOM 0 HD2 TYR A 15 0.057 -5.626 1.152 1.00 1.19 H new ATOM 0 HE1 TYR A 15 -3.997 -8.289 1.979 1.00 1.40 H new ATOM 0 HE2 TYR A 15 -0.618 -7.362 -0.451 1.00 1.21 H new ATOM 0 HH TYR A 15 -3.654 -9.170 -0.040 1.00 0.80 H new ATOM 254 N PHE A 16 1.738 -5.691 4.196 1.00 0.20 N ATOM 255 CA PHE A 16 2.975 -6.405 3.904 1.00 0.21 C ATOM 256 C PHE A 16 3.467 -7.168 5.126 1.00 0.20 C ATOM 257 O PHE A 16 4.009 -8.264 4.997 1.00 0.20 O ATOM 258 CB PHE A 16 4.073 -5.461 3.409 1.00 0.20 C ATOM 259 CG PHE A 16 3.810 -4.854 2.056 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.391 -5.639 0.990 1.00 0.91 C ATOM 261 CD2 PHE A 16 4.004 -3.499 1.848 1.00 1.04 C ATOM 262 CE1 PHE A 16 3.170 -5.081 -0.252 1.00 0.91 C ATOM 263 CE2 PHE A 16 3.782 -2.939 0.608 1.00 1.05 C ATOM 264 CZ PHE A 16 3.365 -3.729 -0.443 1.00 0.23 C ATOM 0 H PHE A 16 1.811 -4.674 4.156 1.00 0.20 H new ATOM 0 HA PHE A 16 2.750 -7.114 3.108 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.199 -4.658 4.135 1.00 0.20 H new ATOM 0 HB3 PHE A 16 5.015 -6.008 3.371 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.236 -6.698 1.135 1.00 0.91 H new ATOM 0 HD2 PHE A 16 4.333 -2.874 2.665 1.00 1.04 H new ATOM 0 HE1 PHE A 16 2.845 -5.702 -1.074 1.00 0.91 H new ATOM 0 HE2 PHE A 16 3.935 -1.880 0.459 1.00 1.05 H new ATOM 0 HZ PHE A 16 3.191 -3.290 -1.414 1.00 0.23 H new ATOM 274 N SER A 17 3.268 -6.596 6.310 1.00 0.19 N ATOM 275 CA SER A 17 3.623 -7.275 7.547 1.00 0.20 C ATOM 276 C SER A 17 2.828 -8.570 7.676 1.00 0.21 C ATOM 277 O SER A 17 3.361 -9.595 8.087 1.00 0.24 O ATOM 278 CB SER A 17 3.370 -6.368 8.756 1.00 0.21 C ATOM 279 OG SER A 17 4.160 -5.191 8.684 1.00 0.90 O ATOM 0 H SER A 17 2.864 -5.668 6.436 1.00 0.19 H new ATOM 0 HA SER A 17 4.686 -7.514 7.520 1.00 0.20 H new ATOM 0 HB2 SER A 17 2.314 -6.100 8.799 1.00 0.21 H new ATOM 0 HB3 SER A 17 3.599 -6.908 9.675 1.00 0.21 H new ATOM 0 HG SER A 17 4.027 -4.761 7.814 1.00 0.90 H new ATOM 285 N SER A 18 1.556 -8.515 7.299 1.00 0.24 N ATOM 286 CA SER A 18 0.703 -9.693 7.306 1.00 0.25 C ATOM 287 C SER A 18 1.181 -10.695 6.253 1.00 0.25 C ATOM 288 O SER A 18 1.241 -11.899 6.504 1.00 0.29 O ATOM 289 CB SER A 18 -0.752 -9.285 7.039 1.00 0.26 C ATOM 290 OG SER A 18 -1.641 -10.371 7.228 1.00 0.84 O ATOM 0 H SER A 18 1.093 -7.663 6.984 1.00 0.24 H new ATOM 0 HA SER A 18 0.759 -10.168 8.285 1.00 0.25 H new ATOM 0 HB2 SER A 18 -1.029 -8.467 7.704 1.00 0.26 H new ATOM 0 HB3 SER A 18 -0.844 -8.912 6.019 1.00 0.26 H new ATOM 0 HG SER A 18 -2.559 -10.077 7.051 1.00 0.84 H new ATOM 296 N ILE A 19 1.540 -10.182 5.080 1.00 0.23 N ATOM 297 CA ILE A 19 2.017 -11.017 3.982 1.00 0.24 C ATOM 298 C ILE A 19 3.286 -11.773 4.370 1.00 0.25 C ATOM 299 O ILE A 19 3.380 -12.982 4.159 1.00 0.28 O ATOM 300 CB ILE A 19 2.283 -10.180 2.705 1.00 0.24 C ATOM 301 CG1 ILE A 19 0.984 -9.556 2.190 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.928 -11.030 1.615 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.082 -10.569 1.826 1.00 0.28 C ATOM 0 H ILE A 19 1.509 -9.185 4.865 1.00 0.23 H new ATOM 0 HA ILE A 19 1.228 -11.738 3.769 1.00 0.24 H new ATOM 0 HB ILE A 19 2.976 -9.381 2.968 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.588 -8.885 2.952 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.207 -8.947 1.314 1.00 0.25 H new ATOM 0 HG21 ILE A 19 3.103 -10.417 0.731 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.877 -11.425 1.976 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.265 -11.856 1.358 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -0.971 -10.049 1.470 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.293 -11.226 1.041 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.336 -11.162 2.705 1.00 0.28 H new ATOM 315 N VAL A 20 4.252 -11.069 4.945 1.00 0.25 N ATOM 316 CA VAL A 20 5.517 -11.688 5.310 1.00 0.28 C ATOM 317 C VAL A 20 5.370 -12.567 6.553 1.00 0.33 C ATOM 318 O VAL A 20 5.995 -13.621 6.646 1.00 0.34 O ATOM 319 CB VAL A 20 6.639 -10.643 5.528 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.856 -9.826 4.264 1.00 0.26 C ATOM 321 CG2 VAL A 20 6.336 -9.728 6.704 1.00 0.30 C ATOM 0 H VAL A 20 4.184 -10.076 5.167 1.00 0.25 H new ATOM 0 HA VAL A 20 5.806 -12.318 4.468 1.00 0.28 H new ATOM 0 HB VAL A 20 7.554 -11.187 5.761 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.648 -9.096 4.434 1.00 0.26 H new ATOM 0 HG12 VAL A 20 7.142 -10.489 3.447 1.00 0.26 H new ATOM 0 HG13 VAL A 20 5.934 -9.307 4.004 1.00 0.26 H new ATOM 0 HG21 VAL A 20 7.147 -9.009 6.824 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.403 -9.195 6.520 1.00 0.30 H new ATOM 0 HG23 VAL A 20 6.241 -10.323 7.613 1.00 0.30 H new ATOM 331 N GLU A 21 4.538 -12.136 7.499 1.00 0.39 N ATOM 332 CA GLU A 21 4.295 -12.908 8.713 1.00 0.49 C ATOM 333 C GLU A 21 3.646 -14.247 8.382 1.00 0.48 C ATOM 334 O GLU A 21 4.038 -15.287 8.910 1.00 0.51 O ATOM 335 CB GLU A 21 3.403 -12.118 9.670 1.00 0.59 C ATOM 336 CG GLU A 21 3.316 -12.724 11.056 1.00 1.23 C ATOM 337 CD GLU A 21 4.654 -12.733 11.760 1.00 1.83 C ATOM 338 OE1 GLU A 21 5.007 -11.711 12.382 1.00 2.39 O ATOM 339 OE2 GLU A 21 5.370 -13.749 11.681 1.00 2.49 O ATOM 0 H GLU A 21 4.022 -11.258 7.447 1.00 0.39 H new ATOM 0 HA GLU A 21 5.254 -13.099 9.194 1.00 0.49 H new ATOM 0 HB2 GLU A 21 3.783 -11.100 9.751 1.00 0.59 H new ATOM 0 HB3 GLU A 21 2.400 -12.051 9.248 1.00 0.59 H new ATOM 0 HG2 GLU A 21 2.597 -12.162 11.652 1.00 1.23 H new ATOM 0 HG3 GLU A 21 2.939 -13.744 10.982 1.00 1.23 H new ATOM 346 N LYS A 22 2.664 -14.218 7.491 1.00 0.46 N ATOM 347 CA LYS A 22 1.971 -15.436 7.088 1.00 0.49 C ATOM 348 C LYS A 22 2.722 -16.143 5.964 1.00 0.42 C ATOM 349 O LYS A 22 2.319 -17.209 5.498 1.00 0.44 O ATOM 350 CB LYS A 22 0.534 -15.122 6.661 1.00 0.57 C ATOM 351 CG LYS A 22 -0.314 -14.539 7.782 1.00 0.67 C ATOM 352 CD LYS A 22 -1.762 -14.334 7.357 1.00 0.80 C ATOM 353 CE LYS A 22 -1.886 -13.331 6.219 1.00 0.72 C ATOM 354 NZ LYS A 22 -3.306 -13.027 5.902 1.00 1.42 N ATOM 0 H LYS A 22 2.330 -13.369 7.035 1.00 0.46 H new ATOM 0 HA LYS A 22 1.937 -16.106 7.947 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.555 -14.419 5.828 1.00 0.57 H new ATOM 0 HB3 LYS A 22 0.063 -16.035 6.296 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -0.281 -15.204 8.645 1.00 0.67 H new ATOM 0 HG3 LYS A 22 0.109 -13.585 8.098 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -2.187 -15.288 7.047 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.345 -13.988 8.211 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -1.369 -12.410 6.488 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -1.392 -13.726 5.331 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -3.348 -12.340 5.122 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -3.794 -13.901 5.620 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -3.771 -12.626 6.742 1.00 1.42 H new ATOM 368 N LYS A 23 3.826 -15.519 5.550 1.00 0.36 N ATOM 369 CA LYS A 23 4.717 -16.052 4.521 1.00 0.32 C ATOM 370 C LYS A 23 3.970 -16.354 3.227 1.00 0.36 C ATOM 371 O LYS A 23 4.154 -17.406 2.617 1.00 0.41 O ATOM 372 CB LYS A 23 5.452 -17.296 5.029 1.00 0.36 C ATOM 373 CG LYS A 23 6.463 -16.989 6.124 1.00 0.42 C ATOM 374 CD LYS A 23 7.245 -18.226 6.529 1.00 0.57 C ATOM 375 CE LYS A 23 8.367 -17.883 7.496 1.00 1.21 C ATOM 376 NZ LYS A 23 9.192 -19.071 7.837 1.00 1.79 N ATOM 0 H LYS A 23 4.129 -14.620 5.924 1.00 0.36 H new ATOM 0 HA LYS A 23 5.456 -15.282 4.298 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.722 -18.012 5.407 1.00 0.36 H new ATOM 0 HB3 LYS A 23 5.964 -17.774 4.194 1.00 0.36 H new ATOM 0 HG2 LYS A 23 7.153 -16.220 5.777 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.946 -16.584 6.994 1.00 0.42 H new ATOM 0 HD2 LYS A 23 6.572 -18.948 6.992 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.661 -18.702 5.641 1.00 0.57 H new ATOM 0 HE2 LYS A 23 9.003 -17.115 7.056 1.00 1.21 H new ATOM 0 HE3 LYS A 23 7.943 -17.462 8.408 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 9.945 -18.793 8.498 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 8.591 -19.795 8.281 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 9.618 -19.458 6.971 1.00 1.79 H new ATOM 390 N GLU A 24 3.143 -15.407 2.804 1.00 0.37 N ATOM 391 CA GLU A 24 2.377 -15.541 1.571 1.00 0.46 C ATOM 392 C GLU A 24 3.243 -15.199 0.362 1.00 0.40 C ATOM 393 O GLU A 24 2.806 -15.307 -0.784 1.00 0.43 O ATOM 394 CB GLU A 24 1.153 -14.625 1.606 1.00 0.57 C ATOM 395 CG GLU A 24 0.174 -14.953 2.720 1.00 0.84 C ATOM 396 CD GLU A 24 -0.428 -16.333 2.574 1.00 1.08 C ATOM 397 OE1 GLU A 24 -1.254 -16.529 1.660 1.00 1.83 O ATOM 398 OE2 GLU A 24 -0.086 -17.226 3.373 1.00 1.65 O ATOM 0 H GLU A 24 2.985 -14.531 3.301 1.00 0.37 H new ATOM 0 HA GLU A 24 2.046 -16.576 1.485 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.486 -13.593 1.720 1.00 0.57 H new ATOM 0 HB3 GLU A 24 0.635 -14.689 0.649 1.00 0.57 H new ATOM 0 HG2 GLU A 24 0.685 -14.883 3.680 1.00 0.84 H new ATOM 0 HG3 GLU A 24 -0.624 -14.211 2.728 1.00 0.84 H new ATOM 405 N ILE A 25 4.471 -14.784 0.629 1.00 0.36 N ATOM 406 CA ILE A 25 5.405 -14.414 -0.420 1.00 0.33 C ATOM 407 C ILE A 25 6.753 -15.091 -0.166 1.00 0.33 C ATOM 408 O ILE A 25 7.111 -15.360 0.984 1.00 0.34 O ATOM 409 CB ILE A 25 5.575 -12.874 -0.487 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.402 -12.469 -1.713 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.218 -12.350 0.791 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.497 -10.972 -1.921 1.00 0.28 C ATOM 0 H ILE A 25 4.846 -14.695 1.573 1.00 0.36 H new ATOM 0 HA ILE A 25 5.010 -14.750 -1.379 1.00 0.33 H new ATOM 0 HB ILE A 25 4.586 -12.427 -0.583 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.408 -12.876 -1.611 1.00 0.30 H new ATOM 0 HG13 ILE A 25 5.963 -12.922 -2.602 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.329 -11.268 0.725 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.587 -12.599 1.644 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.199 -12.808 0.919 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.097 -10.765 -2.807 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.497 -10.559 -2.056 1.00 0.28 H new ATOM 0 HD13 ILE A 25 6.965 -10.513 -1.050 1.00 0.28 H new ATOM 424 N SER A 26 7.469 -15.396 -1.242 1.00 0.35 N ATOM 425 CA SER A 26 8.759 -16.073 -1.152 1.00 0.38 C ATOM 426 C SER A 26 9.786 -15.253 -0.365 1.00 0.34 C ATOM 427 O SER A 26 9.625 -14.045 -0.191 1.00 0.31 O ATOM 428 CB SER A 26 9.272 -16.376 -2.557 1.00 0.46 C ATOM 429 OG SER A 26 8.355 -17.201 -3.257 1.00 1.45 O ATOM 0 H SER A 26 7.175 -15.183 -2.195 1.00 0.35 H new ATOM 0 HA SER A 26 8.616 -17.006 -0.606 1.00 0.38 H new ATOM 0 HB2 SER A 26 9.422 -15.445 -3.104 1.00 0.46 H new ATOM 0 HB3 SER A 26 10.242 -16.870 -2.497 1.00 0.46 H new ATOM 0 HG SER A 26 8.700 -17.383 -4.156 1.00 1.45 H new ATOM 435 N GLU A 27 10.843 -15.930 0.087 1.00 0.40 N ATOM 436 CA GLU A 27 11.839 -15.355 0.997 1.00 0.45 C ATOM 437 C GLU A 27 12.367 -13.997 0.535 1.00 0.40 C ATOM 438 O GLU A 27 12.270 -13.010 1.266 1.00 0.44 O ATOM 439 CB GLU A 27 13.005 -16.326 1.162 1.00 0.69 C ATOM 440 CG GLU A 27 12.610 -17.651 1.789 1.00 0.75 C ATOM 441 CD GLU A 27 12.139 -17.501 3.219 1.00 1.21 C ATOM 442 OE1 GLU A 27 10.931 -17.277 3.436 1.00 1.71 O ATOM 443 OE2 GLU A 27 12.975 -17.615 4.137 1.00 1.87 O ATOM 0 H GLU A 27 11.035 -16.899 -0.169 1.00 0.40 H new ATOM 0 HA GLU A 27 11.336 -15.191 1.950 1.00 0.45 H new ATOM 0 HB2 GLU A 27 13.451 -16.515 0.185 1.00 0.69 H new ATOM 0 HB3 GLU A 27 13.773 -15.857 1.777 1.00 0.69 H new ATOM 0 HG2 GLU A 27 11.818 -18.108 1.196 1.00 0.75 H new ATOM 0 HG3 GLU A 27 13.462 -18.330 1.760 1.00 0.75 H new ATOM 450 N ASP A 28 12.920 -13.941 -0.672 1.00 0.39 N ATOM 451 CA ASP A 28 13.510 -12.701 -1.174 1.00 0.39 C ATOM 452 C ASP A 28 12.443 -11.632 -1.339 1.00 0.35 C ATOM 453 O ASP A 28 12.678 -10.454 -1.064 1.00 0.38 O ATOM 454 CB ASP A 28 14.231 -12.930 -2.503 1.00 0.46 C ATOM 455 CG ASP A 28 14.794 -11.644 -3.077 1.00 1.01 C ATOM 456 OD1 ASP A 28 15.738 -11.079 -2.483 1.00 1.85 O ATOM 457 OD2 ASP A 28 14.291 -11.193 -4.124 1.00 1.63 O ATOM 0 H ASP A 28 12.973 -14.730 -1.317 1.00 0.39 H new ATOM 0 HA ASP A 28 14.242 -12.361 -0.442 1.00 0.39 H new ATOM 0 HB2 ASP A 28 15.040 -13.646 -2.357 1.00 0.46 H new ATOM 0 HB3 ASP A 28 13.539 -13.373 -3.219 1.00 0.46 H new ATOM 462 N GLY A 29 11.266 -12.054 -1.776 1.00 0.31 N ATOM 463 CA GLY A 29 10.145 -11.146 -1.875 1.00 0.30 C ATOM 464 C GLY A 29 9.782 -10.560 -0.525 1.00 0.26 C ATOM 465 O GLY A 29 9.598 -9.349 -0.396 1.00 0.24 O ATOM 0 H GLY A 29 11.068 -13.012 -2.064 1.00 0.31 H new ATOM 0 HA2 GLY A 29 10.388 -10.341 -2.568 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.284 -11.673 -2.287 1.00 0.30 H new ATOM 469 N ALA A 30 9.692 -11.424 0.482 1.00 0.24 N ATOM 470 CA ALA A 30 9.405 -11.004 1.846 1.00 0.23 C ATOM 471 C ALA A 30 10.432 -9.997 2.344 1.00 0.22 C ATOM 472 O ALA A 30 10.075 -8.959 2.899 1.00 0.21 O ATOM 473 CB ALA A 30 9.364 -12.212 2.773 1.00 0.24 C ATOM 0 H ALA A 30 9.816 -12.431 0.374 1.00 0.24 H new ATOM 0 HA ALA A 30 8.429 -10.519 1.847 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.148 -11.883 3.790 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.586 -12.899 2.441 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.329 -12.719 2.752 1.00 0.24 H new ATOM 479 N ASP A 31 11.706 -10.298 2.134 1.00 0.24 N ATOM 480 CA ASP A 31 12.780 -9.408 2.564 1.00 0.25 C ATOM 481 C ASP A 31 12.676 -8.059 1.863 1.00 0.23 C ATOM 482 O ASP A 31 12.874 -7.011 2.478 1.00 0.22 O ATOM 483 CB ASP A 31 14.143 -10.037 2.285 1.00 0.30 C ATOM 484 CG ASP A 31 15.289 -9.150 2.728 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.527 -9.043 3.948 1.00 1.34 O ATOM 486 OD2 ASP A 31 15.966 -8.572 1.857 1.00 1.46 O ATOM 0 H ASP A 31 12.023 -11.149 1.670 1.00 0.24 H new ATOM 0 HA ASP A 31 12.678 -9.252 3.638 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.210 -10.996 2.799 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.235 -10.240 1.218 1.00 0.30 H new ATOM 491 N SER A 32 12.334 -8.092 0.581 1.00 0.24 N ATOM 492 CA SER A 32 12.157 -6.873 -0.195 1.00 0.23 C ATOM 493 C SER A 32 10.987 -6.051 0.348 1.00 0.20 C ATOM 494 O SER A 32 10.990 -4.825 0.280 1.00 0.22 O ATOM 495 CB SER A 32 11.931 -7.214 -1.668 1.00 0.25 C ATOM 496 OG SER A 32 12.980 -8.031 -2.163 1.00 0.92 O ATOM 0 H SER A 32 12.174 -8.952 0.057 1.00 0.24 H new ATOM 0 HA SER A 32 13.063 -6.274 -0.109 1.00 0.23 H new ATOM 0 HB2 SER A 32 10.977 -7.729 -1.785 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.872 -6.296 -2.253 1.00 0.25 H new ATOM 0 HG SER A 32 12.815 -8.963 -1.910 1.00 0.92 H new ATOM 502 N LEU A 33 9.991 -6.731 0.903 1.00 0.17 N ATOM 503 CA LEU A 33 8.858 -6.049 1.514 1.00 0.15 C ATOM 504 C LEU A 33 9.245 -5.479 2.873 1.00 0.14 C ATOM 505 O LEU A 33 8.759 -4.420 3.270 1.00 0.13 O ATOM 506 CB LEU A 33 7.666 -6.996 1.664 1.00 0.16 C ATOM 507 CG LEU A 33 7.097 -7.539 0.354 1.00 0.18 C ATOM 508 CD1 LEU A 33 5.937 -8.481 0.635 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.658 -6.400 -0.557 1.00 0.19 C ATOM 0 H LEU A 33 9.945 -7.749 0.942 1.00 0.17 H new ATOM 0 HA LEU A 33 8.567 -5.229 0.858 1.00 0.15 H new ATOM 0 HB2 LEU A 33 7.968 -7.838 2.287 1.00 0.16 H new ATOM 0 HB3 LEU A 33 6.872 -6.473 2.197 1.00 0.16 H new ATOM 0 HG LEU A 33 7.880 -8.097 -0.159 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.541 -8.861 -0.307 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.285 -9.315 1.245 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.153 -7.944 1.168 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.256 -6.810 -1.484 1.00 0.19 H new ATOM 0 HD22 LEU A 33 5.889 -5.810 -0.058 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.514 -5.764 -0.782 1.00 0.19 H new ATOM 521 N ASN A 34 10.126 -6.180 3.578 1.00 0.15 N ATOM 522 CA ASN A 34 10.612 -5.714 4.873 1.00 0.16 C ATOM 523 C ASN A 34 11.328 -4.379 4.729 1.00 0.16 C ATOM 524 O ASN A 34 11.018 -3.424 5.442 1.00 0.16 O ATOM 525 CB ASN A 34 11.539 -6.743 5.526 1.00 0.18 C ATOM 526 CG ASN A 34 10.782 -7.806 6.304 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.488 -7.632 7.487 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.462 -8.910 5.654 1.00 0.21 N ATOM 0 H ASN A 34 10.518 -7.072 3.276 1.00 0.15 H new ATOM 0 HA ASN A 34 9.745 -5.581 5.521 1.00 0.16 H new ATOM 0 HB2 ASN A 34 12.142 -7.223 4.755 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.229 -6.230 6.197 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.954 -9.654 6.132 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.723 -9.018 4.674 1.00 0.21 H new ATOM 535 N VAL A 35 12.257 -4.299 3.780 1.00 0.17 N ATOM 536 CA VAL A 35 12.991 -3.061 3.548 1.00 0.19 C ATOM 537 C VAL A 35 12.068 -1.991 2.968 1.00 0.18 C ATOM 538 O VAL A 35 12.278 -0.795 3.181 1.00 0.20 O ATOM 539 CB VAL A 35 14.205 -3.267 2.612 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.177 -4.266 3.214 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.769 -3.724 1.229 1.00 0.22 C ATOM 0 H VAL A 35 12.517 -5.070 3.165 1.00 0.17 H new ATOM 0 HA VAL A 35 13.369 -2.731 4.515 1.00 0.19 H new ATOM 0 HB VAL A 35 14.708 -2.306 2.505 1.00 0.22 H new ATOM 0 HG11 VAL A 35 16.025 -4.399 2.542 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.531 -3.895 4.176 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.674 -5.222 3.357 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.647 -3.859 0.597 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.232 -4.669 1.311 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.116 -2.972 0.787 1.00 0.22 H new ATOM 551 N ALA A 36 11.039 -2.428 2.249 1.00 0.16 N ATOM 552 CA ALA A 36 10.046 -1.515 1.708 1.00 0.16 C ATOM 553 C ALA A 36 9.273 -0.841 2.832 1.00 0.15 C ATOM 554 O ALA A 36 9.203 0.385 2.894 1.00 0.15 O ATOM 555 CB ALA A 36 9.093 -2.246 0.774 1.00 0.18 C ATOM 0 H ALA A 36 10.873 -3.410 2.029 1.00 0.16 H new ATOM 0 HA ALA A 36 10.566 -0.747 1.135 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.358 -1.543 0.381 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.656 -2.682 -0.051 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.581 -3.037 1.322 1.00 0.18 H new ATOM 561 N MET A 37 8.714 -1.649 3.734 1.00 0.14 N ATOM 562 CA MET A 37 7.971 -1.139 4.878 1.00 0.14 C ATOM 563 C MET A 37 8.837 -0.224 5.725 1.00 0.15 C ATOM 564 O MET A 37 8.363 0.781 6.254 1.00 0.18 O ATOM 565 CB MET A 37 7.473 -2.294 5.739 1.00 0.16 C ATOM 566 CG MET A 37 6.428 -3.165 5.068 1.00 0.16 C ATOM 567 SD MET A 37 5.832 -4.482 6.145 1.00 0.21 S ATOM 568 CE MET A 37 7.315 -5.462 6.360 1.00 0.19 C ATOM 0 H MET A 37 8.765 -2.667 3.690 1.00 0.14 H new ATOM 0 HA MET A 37 7.122 -0.570 4.498 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.323 -2.916 6.019 1.00 0.16 H new ATOM 0 HB3 MET A 37 7.056 -1.891 6.662 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.587 -2.545 4.759 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.851 -3.603 4.164 1.00 0.16 H new ATOM 0 HE1 MET A 37 7.068 -6.385 6.884 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.738 -5.701 5.384 1.00 0.19 H new ATOM 0 HE3 MET A 37 8.043 -4.897 6.942 1.00 0.19 H new ATOM 578 N ASP A 38 10.106 -0.588 5.845 1.00 0.17 N ATOM 579 CA ASP A 38 11.074 0.199 6.598 1.00 0.23 C ATOM 580 C ASP A 38 11.168 1.616 6.039 1.00 0.19 C ATOM 581 O ASP A 38 11.123 2.595 6.785 1.00 0.22 O ATOM 582 CB ASP A 38 12.442 -0.485 6.547 1.00 0.33 C ATOM 583 CG ASP A 38 13.522 0.299 7.264 1.00 0.89 C ATOM 584 OD1 ASP A 38 13.550 0.270 8.510 1.00 1.68 O ATOM 585 OD2 ASP A 38 14.357 0.929 6.583 1.00 1.41 O ATOM 0 H ASP A 38 10.493 -1.433 5.425 1.00 0.17 H new ATOM 0 HA ASP A 38 10.744 0.265 7.635 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.363 -1.476 6.993 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.733 -0.626 5.506 1.00 0.33 H new ATOM 590 N CYS A 39 11.263 1.712 4.719 1.00 0.17 N ATOM 591 CA CYS A 39 11.372 3.000 4.047 1.00 0.18 C ATOM 592 C CYS A 39 10.046 3.761 4.095 1.00 0.16 C ATOM 593 O CYS A 39 10.030 4.985 4.207 1.00 0.19 O ATOM 594 CB CYS A 39 11.820 2.798 2.601 1.00 0.20 C ATOM 595 SG CYS A 39 13.376 1.890 2.442 1.00 0.26 S ATOM 0 H CYS A 39 11.267 0.909 4.090 1.00 0.17 H new ATOM 0 HA CYS A 39 12.119 3.598 4.570 1.00 0.18 H new ATOM 0 HB2 CYS A 39 11.040 2.262 2.060 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.928 3.772 2.124 1.00 0.20 H new ATOM 0 HG CYS A 39 13.177 0.636 2.723 1.00 0.26 H new ATOM 601 N ILE A 40 8.937 3.030 4.022 1.00 0.13 N ATOM 602 CA ILE A 40 7.611 3.639 4.094 1.00 0.13 C ATOM 603 C ILE A 40 7.388 4.265 5.466 1.00 0.15 C ATOM 604 O ILE A 40 6.981 5.425 5.580 1.00 0.16 O ATOM 605 CB ILE A 40 6.497 2.602 3.829 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.642 2.005 2.429 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.123 3.240 3.997 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.717 0.836 2.167 1.00 0.16 C ATOM 0 H ILE A 40 8.930 2.016 3.913 1.00 0.13 H new ATOM 0 HA ILE A 40 7.565 4.408 3.323 1.00 0.13 H new ATOM 0 HB ILE A 40 6.595 1.798 4.558 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.448 2.783 1.690 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.673 1.680 2.287 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.350 2.495 3.807 1.00 0.16 H new ATOM 0 HG22 ILE A 40 5.019 3.618 5.014 1.00 0.16 H new ATOM 0 HG23 ILE A 40 5.015 4.063 3.291 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.877 0.465 1.154 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.925 0.040 2.882 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.682 1.160 2.276 1.00 0.16 H new ATOM 620 N SER A 41 7.676 3.491 6.502 1.00 0.21 N ATOM 621 CA SER A 41 7.503 3.941 7.874 1.00 0.28 C ATOM 622 C SER A 41 8.403 5.140 8.160 1.00 0.30 C ATOM 623 O SER A 41 7.996 6.091 8.823 1.00 0.34 O ATOM 624 CB SER A 41 7.813 2.796 8.838 1.00 0.37 C ATOM 625 OG SER A 41 7.054 1.642 8.511 1.00 1.13 O ATOM 0 H SER A 41 8.034 2.540 6.416 1.00 0.21 H new ATOM 0 HA SER A 41 6.468 4.251 8.016 1.00 0.28 H new ATOM 0 HB2 SER A 41 8.876 2.560 8.800 1.00 0.37 H new ATOM 0 HB3 SER A 41 7.592 3.105 9.860 1.00 0.37 H new ATOM 0 HG SER A 41 7.421 1.227 7.703 1.00 1.13 H new ATOM 631 N GLU A 42 9.624 5.083 7.645 1.00 0.32 N ATOM 632 CA GLU A 42 10.577 6.174 7.803 1.00 0.37 C ATOM 633 C GLU A 42 10.099 7.433 7.075 1.00 0.31 C ATOM 634 O GLU A 42 10.289 8.548 7.560 1.00 0.44 O ATOM 635 CB GLU A 42 11.953 5.755 7.279 1.00 0.46 C ATOM 636 CG GLU A 42 13.072 6.695 7.691 1.00 0.59 C ATOM 637 CD GLU A 42 13.260 6.748 9.192 1.00 1.45 C ATOM 638 OE1 GLU A 42 14.017 5.913 9.731 1.00 2.00 O ATOM 639 OE2 GLU A 42 12.663 7.631 9.841 1.00 2.23 O ATOM 0 H GLU A 42 9.979 4.289 7.112 1.00 0.32 H new ATOM 0 HA GLU A 42 10.654 6.403 8.866 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.180 4.752 7.641 1.00 0.46 H new ATOM 0 HB3 GLU A 42 11.917 5.701 6.191 1.00 0.46 H new ATOM 0 HG2 GLU A 42 14.003 6.375 7.222 1.00 0.59 H new ATOM 0 HG3 GLU A 42 12.856 7.697 7.319 1.00 0.59 H new ATOM 646 N ALA A 43 9.469 7.247 5.917 1.00 0.18 N ATOM 647 CA ALA A 43 8.992 8.364 5.106 1.00 0.16 C ATOM 648 C ALA A 43 7.984 9.221 5.864 1.00 0.17 C ATOM 649 O ALA A 43 8.145 10.437 5.969 1.00 0.25 O ATOM 650 CB ALA A 43 8.373 7.859 3.810 1.00 0.19 C ATOM 0 H ALA A 43 9.276 6.328 5.518 1.00 0.18 H new ATOM 0 HA ALA A 43 9.855 8.987 4.872 1.00 0.16 H new ATOM 0 HB1 ALA A 43 8.024 8.706 3.219 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.120 7.304 3.242 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.532 7.205 4.039 1.00 0.19 H new ATOM 656 N PHE A 44 6.948 8.585 6.398 1.00 0.19 N ATOM 657 CA PHE A 44 5.893 9.315 7.092 1.00 0.26 C ATOM 658 C PHE A 44 6.192 9.444 8.583 1.00 0.30 C ATOM 659 O PHE A 44 5.475 10.129 9.316 1.00 0.35 O ATOM 660 CB PHE A 44 4.535 8.643 6.876 1.00 0.27 C ATOM 661 CG PHE A 44 4.085 8.645 5.445 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.364 9.711 4.937 1.00 1.10 C ATOM 663 CD2 PHE A 44 4.381 7.581 4.606 1.00 1.15 C ATOM 664 CE1 PHE A 44 2.948 9.718 3.621 1.00 1.13 C ATOM 665 CE2 PHE A 44 3.966 7.584 3.289 1.00 1.15 C ATOM 666 CZ PHE A 44 3.247 8.655 2.796 1.00 0.31 C ATOM 0 H PHE A 44 6.816 7.574 6.365 1.00 0.19 H new ATOM 0 HA PHE A 44 5.856 10.319 6.669 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.588 7.613 7.230 1.00 0.27 H new ATOM 0 HB3 PHE A 44 3.787 9.151 7.484 1.00 0.27 H new ATOM 0 HD1 PHE A 44 3.124 10.547 5.577 1.00 1.10 H new ATOM 0 HD2 PHE A 44 4.942 6.741 4.987 1.00 1.15 H new ATOM 0 HE1 PHE A 44 2.387 10.558 3.237 1.00 1.13 H new ATOM 0 HE2 PHE A 44 4.203 6.750 2.645 1.00 1.15 H new ATOM 0 HZ PHE A 44 2.920 8.660 1.767 1.00 0.31 H new ATOM 676 N GLY A 45 7.265 8.787 9.013 1.00 0.29 N ATOM 677 CA GLY A 45 7.715 8.876 10.391 1.00 0.35 C ATOM 678 C GLY A 45 6.786 8.184 11.368 1.00 0.37 C ATOM 679 O GLY A 45 6.328 8.796 12.328 1.00 0.43 O ATOM 0 H GLY A 45 7.839 8.186 8.421 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.709 8.436 10.471 1.00 0.35 H new ATOM 0 HA3 GLY A 45 7.808 9.926 10.669 1.00 0.35 H new ATOM 683 N PHE A 46 6.510 6.907 11.136 1.00 0.36 N ATOM 684 CA PHE A 46 5.611 6.159 12.007 1.00 0.39 C ATOM 685 C PHE A 46 6.112 4.731 12.205 1.00 0.40 C ATOM 686 O PHE A 46 7.049 4.294 11.534 1.00 0.41 O ATOM 687 CB PHE A 46 4.185 6.156 11.432 1.00 0.37 C ATOM 688 CG PHE A 46 4.013 5.326 10.188 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.482 5.771 8.964 1.00 1.17 C ATOM 690 CD2 PHE A 46 3.373 4.098 10.247 1.00 1.27 C ATOM 691 CE1 PHE A 46 4.318 5.008 7.823 1.00 1.18 C ATOM 692 CE2 PHE A 46 3.206 3.332 9.111 1.00 1.26 C ATOM 693 CZ PHE A 46 3.680 3.787 7.898 1.00 0.22 C ATOM 0 H PHE A 46 6.892 6.370 10.358 1.00 0.36 H new ATOM 0 HA PHE A 46 5.591 6.650 12.980 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.500 5.788 12.196 1.00 0.37 H new ATOM 0 HB3 PHE A 46 3.894 7.183 11.211 1.00 0.37 H new ATOM 0 HD1 PHE A 46 4.982 6.726 8.900 1.00 1.17 H new ATOM 0 HD2 PHE A 46 3.000 3.736 11.194 1.00 1.27 H new ATOM 0 HE1 PHE A 46 4.689 5.367 6.874 1.00 1.18 H new ATOM 0 HE2 PHE A 46 2.705 2.377 9.172 1.00 1.26 H new ATOM 0 HZ PHE A 46 3.552 3.188 7.008 1.00 0.22 H new ATOM 703 N GLU A 47 5.491 4.021 13.138 1.00 0.42 N ATOM 704 CA GLU A 47 5.835 2.632 13.427 1.00 0.44 C ATOM 705 C GLU A 47 4.801 1.699 12.817 1.00 0.40 C ATOM 706 O GLU A 47 3.646 2.079 12.633 1.00 0.39 O ATOM 707 CB GLU A 47 5.876 2.400 14.936 1.00 0.53 C ATOM 708 CG GLU A 47 6.951 3.188 15.660 1.00 0.59 C ATOM 709 CD GLU A 47 6.948 2.920 17.148 1.00 1.14 C ATOM 710 OE1 GLU A 47 6.166 3.570 17.875 1.00 1.56 O ATOM 711 OE2 GLU A 47 7.718 2.048 17.600 1.00 1.92 O ATOM 0 H GLU A 47 4.736 4.390 13.716 1.00 0.42 H new ATOM 0 HA GLU A 47 6.816 2.427 12.998 1.00 0.44 H new ATOM 0 HB2 GLU A 47 4.905 2.660 15.358 1.00 0.53 H new ATOM 0 HB3 GLU A 47 6.032 1.338 15.124 1.00 0.53 H new ATOM 0 HG2 GLU A 47 7.927 2.932 15.248 1.00 0.59 H new ATOM 0 HG3 GLU A 47 6.800 4.253 15.484 1.00 0.59 H new ATOM 718 N ARG A 48 5.201 0.460 12.550 1.00 0.41 N ATOM 719 CA ARG A 48 4.316 -0.506 11.918 1.00 0.40 C ATOM 720 C ARG A 48 3.379 -1.113 12.952 1.00 0.41 C ATOM 721 O ARG A 48 2.395 -1.763 12.613 1.00 0.43 O ATOM 722 CB ARG A 48 5.118 -1.619 11.245 1.00 0.44 C ATOM 723 CG ARG A 48 6.029 -1.137 10.130 1.00 0.61 C ATOM 724 CD ARG A 48 6.746 -2.301 9.463 1.00 0.91 C ATOM 725 NE ARG A 48 7.613 -3.020 10.395 1.00 1.18 N ATOM 726 CZ ARG A 48 7.649 -4.350 10.516 1.00 1.88 C ATOM 727 NH1 ARG A 48 6.795 -5.119 9.845 1.00 2.57 N ATOM 728 NH2 ARG A 48 8.527 -4.912 11.333 1.00 2.20 N ATOM 0 H ARG A 48 6.133 0.103 12.762 1.00 0.41 H new ATOM 0 HA ARG A 48 3.733 0.016 11.159 1.00 0.40 H new ATOM 0 HB2 ARG A 48 5.721 -2.125 11.999 1.00 0.44 H new ATOM 0 HB3 ARG A 48 4.426 -2.358 10.841 1.00 0.44 H new ATOM 0 HG2 ARG A 48 5.444 -0.594 9.388 1.00 0.61 H new ATOM 0 HG3 ARG A 48 6.762 -0.438 10.532 1.00 0.61 H new ATOM 0 HD2 ARG A 48 6.010 -2.990 9.048 1.00 0.91 H new ATOM 0 HD3 ARG A 48 7.341 -1.930 8.628 1.00 0.91 H new ATOM 0 HE ARG A 48 8.231 -2.470 10.992 1.00 1.18 H new ATOM 0 HH11 ARG A 48 6.102 -4.694 9.229 1.00 2.57 H new ATOM 0 HH12 ARG A 48 6.834 -6.133 9.947 1.00 2.57 H new ATOM 0 HH21 ARG A 48 9.172 -4.330 11.867 1.00 2.20 H new ATOM 0 HH22 ARG A 48 8.558 -5.927 11.428 1.00 2.20 H new ATOM 742 N GLU A 49 3.714 -0.921 14.218 1.00 0.42 N ATOM 743 CA GLU A 49 2.906 -1.444 15.308 1.00 0.46 C ATOM 744 C GLU A 49 1.841 -0.436 15.717 1.00 0.42 C ATOM 745 O GLU A 49 0.953 -0.742 16.508 1.00 0.46 O ATOM 746 CB GLU A 49 3.796 -1.790 16.498 1.00 0.56 C ATOM 747 CG GLU A 49 4.909 -2.763 16.149 1.00 1.14 C ATOM 748 CD GLU A 49 5.759 -3.126 17.344 1.00 1.54 C ATOM 749 OE1 GLU A 49 6.714 -2.379 17.652 1.00 2.06 O ATOM 750 OE2 GLU A 49 5.479 -4.158 17.984 1.00 2.23 O ATOM 0 H GLU A 49 4.542 -0.406 14.516 1.00 0.42 H new ATOM 0 HA GLU A 49 2.405 -2.350 14.967 1.00 0.46 H new ATOM 0 HB2 GLU A 49 4.234 -0.874 16.895 1.00 0.56 H new ATOM 0 HB3 GLU A 49 3.182 -2.219 17.290 1.00 0.56 H new ATOM 0 HG2 GLU A 49 4.475 -3.670 15.728 1.00 1.14 H new ATOM 0 HG3 GLU A 49 5.542 -2.324 15.378 1.00 1.14 H new ATOM 757 N ALA A 50 1.927 0.765 15.160 1.00 0.40 N ATOM 758 CA ALA A 50 0.967 1.817 15.460 1.00 0.42 C ATOM 759 C ALA A 50 -0.204 1.777 14.486 1.00 0.37 C ATOM 760 O ALA A 50 -1.160 2.541 14.615 1.00 0.41 O ATOM 761 CB ALA A 50 1.647 3.176 15.415 1.00 0.48 C ATOM 0 H ALA A 50 2.654 1.034 14.497 1.00 0.40 H new ATOM 0 HA ALA A 50 0.578 1.651 16.465 1.00 0.42 H new ATOM 0 HB1 ALA A 50 0.919 3.955 15.641 1.00 0.48 H new ATOM 0 HB2 ALA A 50 2.450 3.206 16.151 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.060 3.343 14.420 1.00 0.48 H new ATOM 767 N VAL A 51 -0.118 0.872 13.514 1.00 0.33 N ATOM 768 CA VAL A 51 -1.117 0.778 12.453 1.00 0.31 C ATOM 769 C VAL A 51 -2.540 0.629 12.990 1.00 0.36 C ATOM 770 O VAL A 51 -3.451 1.256 12.473 1.00 0.41 O ATOM 771 CB VAL A 51 -0.817 -0.375 11.469 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.493 -0.127 10.746 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.789 -1.720 12.181 1.00 0.33 C ATOM 0 H VAL A 51 0.637 0.190 13.440 1.00 0.33 H new ATOM 0 HA VAL A 51 -1.053 1.725 11.917 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.622 -0.405 10.734 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.689 -0.948 10.057 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.430 0.807 10.188 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.303 -0.062 11.473 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.575 -2.509 11.460 1.00 0.33 H new ATOM 0 HG22 VAL A 51 -0.014 -1.710 12.948 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.757 -1.906 12.646 1.00 0.33 H new ATOM 783 N SER A 52 -2.728 -0.174 14.031 1.00 0.37 N ATOM 784 CA SER A 52 -4.064 -0.424 14.560 1.00 0.45 C ATOM 785 C SER A 52 -4.692 0.878 15.063 1.00 0.48 C ATOM 786 O SER A 52 -5.821 1.216 14.703 1.00 0.51 O ATOM 787 CB SER A 52 -4.008 -1.461 15.687 1.00 0.53 C ATOM 788 OG SER A 52 -5.306 -1.875 16.073 1.00 1.24 O ATOM 0 H SER A 52 -1.978 -0.660 14.523 1.00 0.37 H new ATOM 0 HA SER A 52 -4.685 -0.820 13.757 1.00 0.45 H new ATOM 0 HB2 SER A 52 -3.431 -2.326 15.359 1.00 0.53 H new ATOM 0 HB3 SER A 52 -3.488 -1.038 16.547 1.00 0.53 H new ATOM 0 HG SER A 52 -5.238 -2.537 16.792 1.00 1.24 H new ATOM 794 N GLY A 53 -3.945 1.596 15.897 1.00 0.51 N ATOM 795 CA GLY A 53 -4.389 2.891 16.388 1.00 0.57 C ATOM 796 C GLY A 53 -4.735 3.862 15.272 1.00 0.55 C ATOM 797 O GLY A 53 -5.714 4.601 15.369 1.00 0.59 O ATOM 0 H GLY A 53 -3.032 1.302 16.244 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -5.263 2.752 17.025 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -3.607 3.325 17.010 1.00 0.57 H new ATOM 801 N ILE A 54 -3.944 3.851 14.210 1.00 0.50 N ATOM 802 CA ILE A 54 -4.164 4.747 13.082 1.00 0.51 C ATOM 803 C ILE A 54 -5.366 4.295 12.248 1.00 0.50 C ATOM 804 O ILE A 54 -6.303 5.063 12.020 1.00 0.57 O ATOM 805 CB ILE A 54 -2.913 4.816 12.176 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.692 5.256 12.989 1.00 0.48 C ATOM 807 CG2 ILE A 54 -3.146 5.768 11.013 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.400 5.270 12.196 1.00 0.49 C ATOM 0 H ILE A 54 -3.142 3.230 14.104 1.00 0.50 H new ATOM 0 HA ILE A 54 -4.364 5.738 13.490 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.724 3.821 11.773 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.873 6.254 13.388 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.576 4.588 13.843 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -2.254 5.803 10.387 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -3.992 5.419 10.421 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -3.359 6.766 11.397 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.419 5.592 12.840 1.00 0.49 H new ATOM 0 HD12 ILE A 54 -0.193 4.268 11.820 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.495 5.960 11.358 1.00 0.49 H new ATOM 820 N LEU A 55 -5.329 3.036 11.829 1.00 0.47 N ATOM 821 CA LEU A 55 -6.336 2.450 10.941 1.00 0.48 C ATOM 822 C LEU A 55 -7.736 2.439 11.549 1.00 0.55 C ATOM 823 O LEU A 55 -8.725 2.304 10.830 1.00 0.65 O ATOM 824 CB LEU A 55 -5.943 1.021 10.560 1.00 0.48 C ATOM 825 CG LEU A 55 -4.622 0.886 9.803 1.00 0.46 C ATOM 826 CD1 LEU A 55 -4.333 -0.574 9.493 1.00 0.52 C ATOM 827 CD2 LEU A 55 -4.656 1.713 8.529 1.00 0.46 C ATOM 0 H LEU A 55 -4.593 2.383 12.097 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.368 3.084 10.055 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -5.884 0.423 11.470 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -6.738 0.594 9.949 1.00 0.48 H new ATOM 0 HG LEU A 55 -3.818 1.264 10.435 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -3.389 -0.651 8.954 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -4.267 -1.137 10.424 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -5.136 -0.981 8.879 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -3.708 1.607 8.001 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.468 1.365 7.891 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -4.816 2.762 8.780 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.530 -10.091 -3.466 1.00 0.41 N ATOM 1168 CA LYS B 5 -1.341 -9.382 -3.002 1.00 0.36 C ATOM 1169 C LYS B 5 -0.653 -8.607 -4.123 1.00 0.27 C ATOM 1170 O LYS B 5 -0.179 -7.493 -3.902 1.00 0.25 O ATOM 1171 CB LYS B 5 -0.363 -10.353 -2.324 1.00 0.42 C ATOM 1172 CG LYS B 5 -0.129 -11.653 -3.085 1.00 0.41 C ATOM 1173 CD LYS B 5 0.759 -12.604 -2.295 1.00 0.54 C ATOM 1174 CE LYS B 5 0.756 -14.006 -2.886 1.00 0.73 C ATOM 1175 NZ LYS B 5 1.283 -14.035 -4.277 1.00 1.14 N ATOM 0 HA LYS B 5 -1.670 -8.647 -2.267 1.00 0.36 H new ATOM 0 HB2 LYS B 5 0.594 -9.849 -2.189 1.00 0.42 H new ATOM 0 HB3 LYS B 5 -0.740 -10.592 -1.330 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -1.086 -12.133 -3.292 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.334 -11.435 -4.048 1.00 0.41 H new ATOM 0 HD2 LYS B 5 1.779 -12.219 -2.279 1.00 0.54 H new ATOM 0 HD3 LYS B 5 0.417 -12.645 -1.261 1.00 0.54 H new ATOM 0 HE2 LYS B 5 1.358 -14.663 -2.258 1.00 0.73 H new ATOM 0 HE3 LYS B 5 -0.261 -14.399 -2.877 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 1.277 -15.013 -4.630 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 0.685 -13.443 -4.887 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 2.257 -13.669 -4.287 1.00 1.14 H new ATOM 1189 N GLU B 6 -0.596 -9.190 -5.313 1.00 0.29 N ATOM 1190 CA GLU B 6 -0.026 -8.507 -6.471 1.00 0.36 C ATOM 1191 C GLU B 6 -0.839 -7.261 -6.814 1.00 0.38 C ATOM 1192 O GLU B 6 -0.295 -6.167 -6.970 1.00 0.40 O ATOM 1193 CB GLU B 6 0.004 -9.448 -7.678 1.00 0.49 C ATOM 1194 CG GLU B 6 0.461 -8.785 -8.968 1.00 0.99 C ATOM 1195 CD GLU B 6 0.306 -9.691 -10.172 1.00 1.46 C ATOM 1196 OE1 GLU B 6 -0.842 -9.894 -10.625 1.00 2.00 O ATOM 1197 OE2 GLU B 6 1.327 -10.211 -10.667 1.00 2.11 O ATOM 0 H GLU B 6 -0.936 -10.132 -5.504 1.00 0.29 H new ATOM 0 HA GLU B 6 0.992 -8.207 -6.223 1.00 0.36 H new ATOM 0 HB2 GLU B 6 0.667 -10.285 -7.457 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -0.993 -9.862 -7.828 1.00 0.49 H new ATOM 0 HG2 GLU B 6 -0.114 -7.873 -9.127 1.00 0.99 H new ATOM 0 HG3 GLU B 6 1.506 -8.490 -8.871 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.147 -7.446 -6.919 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.047 -6.367 -7.300 1.00 0.48 C ATOM 1206 C GLU B 7 -3.050 -5.252 -6.258 1.00 0.40 C ATOM 1207 O GLU B 7 -3.131 -4.072 -6.602 1.00 0.39 O ATOM 1208 CB GLU B 7 -4.457 -6.910 -7.546 1.00 0.61 C ATOM 1209 CG GLU B 7 -4.484 -7.983 -8.624 1.00 0.74 C ATOM 1210 CD GLU B 7 -5.875 -8.303 -9.124 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -6.408 -7.522 -9.938 1.00 1.68 O ATOM 1212 OE2 GLU B 7 -6.427 -9.352 -8.731 1.00 1.25 O ATOM 0 H GLU B 7 -2.610 -8.338 -6.745 1.00 0.41 H new ATOM 0 HA GLU B 7 -2.685 -5.933 -8.232 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -4.852 -7.322 -6.617 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -5.114 -6.090 -7.836 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -3.871 -7.658 -9.464 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -4.030 -8.893 -8.231 1.00 0.74 H new ATOM 1219 N ILE B 8 -2.931 -5.618 -4.987 1.00 0.37 N ATOM 1220 CA ILE B 8 -2.829 -4.619 -3.933 1.00 0.35 C ATOM 1221 C ILE B 8 -1.494 -3.888 -4.011 1.00 0.27 C ATOM 1222 O ILE B 8 -1.446 -2.667 -3.884 1.00 0.24 O ATOM 1223 CB ILE B 8 -3.022 -5.222 -2.523 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.470 -5.684 -2.348 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -2.654 -4.208 -1.442 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -4.806 -6.104 -0.936 1.00 0.96 C ATOM 0 H ILE B 8 -2.903 -6.586 -4.665 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.640 -3.909 -4.096 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.359 -6.081 -2.420 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -5.139 -4.876 -2.646 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.659 -6.520 -3.021 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -2.798 -4.656 -0.459 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -1.610 -3.915 -1.558 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.290 -3.328 -1.537 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -5.848 -6.419 -0.888 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -4.163 -6.933 -0.640 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -4.649 -5.264 -0.259 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.413 -4.633 -4.230 1.00 0.24 N ATOM 1239 CA ALA B 9 0.910 -4.034 -4.389 1.00 0.20 C ATOM 1240 C ALA B 9 0.910 -2.996 -5.506 1.00 0.19 C ATOM 1241 O ALA B 9 1.540 -1.942 -5.388 1.00 0.16 O ATOM 1242 CB ALA B 9 1.946 -5.111 -4.666 1.00 0.21 C ATOM 0 H ALA B 9 -0.427 -5.650 -4.301 1.00 0.24 H new ATOM 0 HA ALA B 9 1.169 -3.528 -3.459 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.927 -4.651 -4.782 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.971 -5.814 -3.833 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.683 -5.642 -5.581 1.00 0.21 H new ATOM 1248 N ALA B 10 0.191 -3.299 -6.583 1.00 0.23 N ATOM 1249 CA ALA B 10 0.040 -2.369 -7.694 1.00 0.25 C ATOM 1250 C ALA B 10 -0.639 -1.084 -7.231 1.00 0.23 C ATOM 1251 O ALA B 10 -0.203 0.017 -7.562 1.00 0.22 O ATOM 1252 CB ALA B 10 -0.752 -3.018 -8.820 1.00 0.33 C ATOM 0 H ALA B 10 -0.297 -4.186 -6.709 1.00 0.23 H new ATOM 0 HA ALA B 10 1.031 -2.113 -8.069 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -0.858 -2.312 -9.644 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.227 -3.907 -9.169 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -1.740 -3.300 -8.455 1.00 0.33 H new ATOM 1258 N LEU B 11 -1.704 -1.233 -6.454 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.420 -0.091 -5.894 1.00 0.29 C ATOM 1260 C LEU B 11 -1.476 0.718 -5.010 1.00 0.26 C ATOM 1261 O LEU B 11 -1.425 1.947 -5.084 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.626 -0.597 -5.078 1.00 0.38 C ATOM 1263 CG LEU B 11 -4.733 0.422 -4.749 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -4.263 1.472 -3.752 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.241 1.083 -6.018 1.00 0.63 C ATOM 0 H LEU B 11 -2.094 -2.139 -6.195 1.00 0.27 H new ATOM 0 HA LEU B 11 -2.782 0.551 -6.697 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -4.080 -1.424 -5.624 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -3.251 -1.003 -4.139 1.00 0.38 H new ATOM 0 HG LEU B 11 -5.552 -0.126 -4.283 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -5.075 2.170 -3.549 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -3.963 0.984 -2.824 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -3.414 2.014 -4.168 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -6.023 1.800 -5.767 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -4.419 1.601 -6.513 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.646 0.324 -6.687 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.719 0.000 -4.200 1.00 0.21 N ATOM 1278 CA ILE B 12 0.209 0.593 -3.253 1.00 0.20 C ATOM 1279 C ILE B 12 1.266 1.452 -3.946 1.00 0.18 C ATOM 1280 O ILE B 12 1.446 2.622 -3.598 1.00 0.20 O ATOM 1281 CB ILE B 12 0.880 -0.510 -2.411 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.163 -1.152 -1.491 1.00 0.22 C ATOM 1283 CG2 ILE B 12 2.047 0.046 -1.610 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.337 -2.364 -0.741 1.00 0.24 C ATOM 0 H ILE B 12 -0.731 -1.020 -4.181 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.363 1.251 -2.598 1.00 0.20 H new ATOM 0 HB ILE B 12 1.281 -1.272 -3.079 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.504 -0.408 -0.771 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.029 -1.439 -2.087 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.501 -0.754 -1.026 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.789 0.465 -2.290 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.689 0.827 -0.939 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.462 -2.758 -0.113 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.650 -3.128 -1.452 1.00 0.24 H new ATOM 0 HD13 ILE B 12 1.184 -2.081 -0.116 1.00 0.24 H new ATOM 1296 N VAL B 13 1.956 0.887 -4.932 1.00 0.16 N ATOM 1297 CA VAL B 13 2.991 1.634 -5.635 1.00 0.16 C ATOM 1298 C VAL B 13 2.383 2.781 -6.436 1.00 0.16 C ATOM 1299 O VAL B 13 2.971 3.854 -6.533 1.00 0.18 O ATOM 1300 CB VAL B 13 3.854 0.739 -6.557 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.596 -0.308 -5.741 1.00 0.16 C ATOM 1302 CG2 VAL B 13 3.016 0.074 -7.635 1.00 0.14 C ATOM 0 H VAL B 13 1.820 -0.070 -5.258 1.00 0.16 H new ATOM 0 HA VAL B 13 3.652 2.040 -4.870 1.00 0.16 H new ATOM 0 HB VAL B 13 4.582 1.381 -7.052 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.198 -0.928 -6.406 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.246 0.187 -5.019 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.877 -0.934 -5.213 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.656 -0.546 -8.263 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.252 -0.548 -7.170 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.538 0.838 -8.248 1.00 0.14 H new ATOM 1312 N ASN B 14 1.196 2.552 -6.993 1.00 0.18 N ATOM 1313 CA ASN B 14 0.464 3.598 -7.705 1.00 0.21 C ATOM 1314 C ASN B 14 0.189 4.779 -6.779 1.00 0.19 C ATOM 1315 O ASN B 14 0.351 5.938 -7.164 1.00 0.20 O ATOM 1316 CB ASN B 14 -0.863 3.055 -8.244 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.695 4.120 -8.939 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -1.166 5.034 -9.570 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -3.009 4.013 -8.818 1.00 0.57 N ATOM 0 H ASN B 14 0.720 1.650 -6.965 1.00 0.18 H new ATOM 0 HA ASN B 14 1.079 3.931 -8.541 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.661 2.244 -8.944 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.438 2.631 -7.421 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -3.619 4.703 -9.256 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.411 3.241 -8.287 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.207 4.471 -5.551 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.535 5.502 -4.580 1.00 0.24 C ATOM 1328 C TYR B 15 0.693 6.342 -4.251 1.00 0.21 C ATOM 1329 O TYR B 15 0.640 7.569 -4.305 1.00 0.23 O ATOM 1330 CB TYR B 15 -1.114 4.897 -3.299 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.566 5.946 -2.308 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -2.703 6.708 -2.553 1.00 1.30 C ATOM 1333 CD2 TYR B 15 -0.851 6.190 -1.142 1.00 1.19 C ATOM 1334 CE1 TYR B 15 -3.115 7.680 -1.662 1.00 1.39 C ATOM 1335 CE2 TYR B 15 -1.256 7.162 -0.247 1.00 1.21 C ATOM 1336 CZ TYR B 15 -2.389 7.903 -0.511 1.00 0.64 C ATOM 1337 OH TYR B 15 -2.797 8.871 0.377 1.00 0.79 O ATOM 0 H TYR B 15 -0.308 3.517 -5.206 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.294 6.144 -5.027 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -1.959 4.257 -3.554 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.362 4.261 -2.831 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -3.273 6.537 -3.454 1.00 1.30 H new ATOM 0 HD2 TYR B 15 0.036 5.611 -0.932 1.00 1.19 H new ATOM 0 HE1 TYR B 15 -4.001 8.262 -1.866 1.00 1.39 H new ATOM 0 HE2 TYR B 15 -0.688 7.340 0.654 1.00 1.21 H new ATOM 0 HH TYR B 15 -3.719 9.133 0.174 1.00 0.79 H new ATOM 1347 N PHE B 16 1.802 5.686 -3.925 1.00 0.20 N ATOM 1348 CA PHE B 16 3.027 6.406 -3.597 1.00 0.20 C ATOM 1349 C PHE B 16 3.548 7.171 -4.806 1.00 0.19 C ATOM 1350 O PHE B 16 4.081 8.269 -4.661 1.00 0.20 O ATOM 1351 CB PHE B 16 4.113 5.466 -3.072 1.00 0.20 C ATOM 1352 CG PHE B 16 3.817 4.856 -1.728 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.363 5.636 -0.671 1.00 0.91 C ATOM 1354 CD2 PHE B 16 4.012 3.500 -1.513 1.00 1.04 C ATOM 1355 CE1 PHE B 16 3.111 5.076 0.564 1.00 0.91 C ATOM 1356 CE2 PHE B 16 3.758 2.937 -0.280 1.00 1.04 C ATOM 1357 CZ PHE B 16 3.309 3.726 0.760 1.00 0.22 C ATOM 0 H PHE B 16 1.878 4.670 -3.881 1.00 0.20 H new ATOM 0 HA PHE B 16 2.779 7.115 -2.807 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.262 4.664 -3.795 1.00 0.20 H new ATOM 0 HB3 PHE B 16 5.052 6.016 -3.008 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.206 6.694 -0.819 1.00 0.91 H new ATOM 0 HD2 PHE B 16 4.367 2.877 -2.321 1.00 1.04 H new ATOM 0 HE1 PHE B 16 2.759 5.694 1.376 1.00 0.91 H new ATOM 0 HE2 PHE B 16 3.910 1.879 -0.128 1.00 1.04 H new ATOM 0 HZ PHE B 16 3.113 3.286 1.727 1.00 0.22 H new ATOM 1367 N SER B 17 3.384 6.597 -5.995 1.00 0.19 N ATOM 1368 CA SER B 17 3.772 7.276 -7.222 1.00 0.20 C ATOM 1369 C SER B 17 2.977 8.570 -7.373 1.00 0.20 C ATOM 1370 O SER B 17 3.518 9.601 -7.756 1.00 0.24 O ATOM 1371 CB SER B 17 3.558 6.368 -8.437 1.00 0.21 C ATOM 1372 OG SER B 17 4.352 5.194 -8.343 1.00 0.90 O ATOM 0 H SER B 17 2.987 5.668 -6.132 1.00 0.19 H new ATOM 0 HA SER B 17 4.833 7.518 -7.166 1.00 0.20 H new ATOM 0 HB2 SER B 17 2.505 6.094 -8.510 1.00 0.21 H new ATOM 0 HB3 SER B 17 3.810 6.910 -9.349 1.00 0.21 H new ATOM 0 HG SER B 17 4.185 4.754 -7.483 1.00 0.90 H new ATOM 1378 N SER B 18 1.695 8.508 -7.035 1.00 0.24 N ATOM 1379 CA SER B 18 0.837 9.682 -7.063 1.00 0.25 C ATOM 1380 C SER B 18 1.281 10.685 -5.997 1.00 0.25 C ATOM 1381 O SER B 18 1.343 11.891 -6.247 1.00 0.29 O ATOM 1382 CB SER B 18 -0.620 9.269 -6.835 1.00 0.26 C ATOM 1383 OG SER B 18 -1.508 10.353 -7.055 1.00 0.84 O ATOM 0 H SER B 18 1.227 7.652 -6.737 1.00 0.24 H new ATOM 0 HA SER B 18 0.917 10.158 -8.040 1.00 0.25 H new ATOM 0 HB2 SER B 18 -0.875 8.447 -7.504 1.00 0.26 H new ATOM 0 HB3 SER B 18 -0.740 8.900 -5.816 1.00 0.26 H new ATOM 0 HG SER B 18 -2.430 10.057 -6.903 1.00 0.84 H new ATOM 1389 N ILE B 19 1.610 10.173 -4.815 1.00 0.23 N ATOM 1390 CA ILE B 19 2.051 11.010 -3.703 1.00 0.24 C ATOM 1391 C ILE B 19 3.328 11.772 -4.054 1.00 0.25 C ATOM 1392 O ILE B 19 3.411 12.981 -3.839 1.00 0.28 O ATOM 1393 CB ILE B 19 2.284 10.176 -2.420 1.00 0.24 C ATOM 1394 CG1 ILE B 19 0.972 9.545 -1.943 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.892 11.027 -1.313 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.108 10.555 -1.608 1.00 0.27 C ATOM 0 H ILE B 19 1.579 9.176 -4.601 1.00 0.23 H new ATOM 0 HA ILE B 19 1.252 11.726 -3.513 1.00 0.24 H new ATOM 0 HB ILE B 19 2.989 9.381 -2.663 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.601 8.873 -2.717 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.172 8.936 -1.062 1.00 0.25 H new ATOM 0 HG21 ILE B 19 3.044 10.414 -0.425 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.850 11.427 -1.646 1.00 0.27 H new ATOM 0 HG23 ILE B 19 2.218 11.850 -1.075 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -1.006 10.032 -1.278 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.242 11.212 -0.812 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.338 11.148 -2.493 1.00 0.27 H new ATOM 1408 N VAL B 20 4.315 11.072 -4.603 1.00 0.25 N ATOM 1409 CA VAL B 20 5.587 11.697 -4.933 1.00 0.28 C ATOM 1410 C VAL B 20 5.473 12.573 -6.182 1.00 0.33 C ATOM 1411 O VAL B 20 6.110 13.621 -6.266 1.00 0.34 O ATOM 1412 CB VAL B 20 6.717 10.656 -5.116 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.901 9.840 -3.847 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.451 9.740 -6.300 1.00 0.30 C ATOM 0 H VAL B 20 4.258 10.079 -4.827 1.00 0.25 H new ATOM 0 HA VAL B 20 5.848 12.331 -4.086 1.00 0.28 H new ATOM 0 HB VAL B 20 7.637 11.203 -5.321 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.700 9.113 -3.994 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.162 10.503 -3.022 1.00 0.26 H new ATOM 0 HG13 VAL B 20 5.974 9.317 -3.613 1.00 0.26 H new ATOM 0 HG21 VAL B 20 7.266 9.023 -6.396 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.514 9.205 -6.143 1.00 0.30 H new ATOM 0 HG23 VAL B 20 6.381 10.334 -7.211 1.00 0.30 H new ATOM 1424 N GLU B 21 4.667 12.142 -7.148 1.00 0.39 N ATOM 1425 CA GLU B 21 4.455 12.912 -8.369 1.00 0.49 C ATOM 1426 C GLU B 21 3.785 14.247 -8.061 1.00 0.49 C ATOM 1427 O GLU B 21 4.171 15.288 -8.594 1.00 0.53 O ATOM 1428 CB GLU B 21 3.602 12.117 -9.356 1.00 0.60 C ATOM 1429 CG GLU B 21 3.548 12.731 -10.742 1.00 1.24 C ATOM 1430 CD GLU B 21 4.907 12.778 -11.405 1.00 1.84 C ATOM 1431 OE1 GLU B 21 5.271 11.803 -12.092 1.00 2.40 O ATOM 1432 OE2 GLU B 21 5.621 13.788 -11.247 1.00 2.49 O ATOM 0 H GLU B 21 4.150 11.264 -7.109 1.00 0.39 H new ATOM 0 HA GLU B 21 5.429 13.109 -8.818 1.00 0.49 H new ATOM 0 HB2 GLU B 21 3.997 11.104 -9.431 1.00 0.60 H new ATOM 0 HB3 GLU B 21 2.588 12.035 -8.964 1.00 0.60 H new ATOM 0 HG2 GLU B 21 2.863 12.156 -11.365 1.00 1.24 H new ATOM 0 HG3 GLU B 21 3.145 13.741 -10.673 1.00 1.24 H new ATOM 1439 N LYS B 22 2.783 14.216 -7.193 1.00 0.47 N ATOM 1440 CA LYS B 22 2.075 15.431 -6.810 1.00 0.50 C ATOM 1441 C LYS B 22 2.795 16.138 -5.666 1.00 0.43 C ATOM 1442 O LYS B 22 2.378 17.204 -5.214 1.00 0.44 O ATOM 1443 CB LYS B 22 0.628 15.115 -6.420 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.187 14.526 -7.563 1.00 0.68 C ATOM 1445 CD LYS B 22 -1.644 14.316 -7.179 1.00 0.81 C ATOM 1446 CE LYS B 22 -1.797 13.312 -6.047 1.00 0.72 C ATOM 1447 NZ LYS B 22 -3.226 13.005 -5.770 1.00 1.41 N ATOM 0 H LYS B 22 2.443 13.367 -6.742 1.00 0.47 H new ATOM 0 HA LYS B 22 2.060 16.100 -7.671 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.628 14.415 -5.584 1.00 0.58 H new ATOM 0 HB3 LYS B 22 0.145 16.028 -6.071 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -0.132 15.189 -8.426 1.00 0.68 H new ATOM 0 HG3 LYS B 22 0.249 13.574 -7.865 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -2.081 15.269 -6.880 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.202 13.969 -8.049 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -1.271 12.392 -6.303 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -1.329 13.707 -5.145 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -3.289 12.317 -4.992 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -3.723 13.878 -5.501 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -3.667 12.605 -6.623 1.00 1.41 H new ATOM 1461 N LYS B 23 3.889 15.519 -5.219 1.00 0.37 N ATOM 1462 CA LYS B 23 4.746 16.058 -4.165 1.00 0.32 C ATOM 1463 C LYS B 23 3.965 16.355 -2.890 1.00 0.36 C ATOM 1464 O LYS B 23 4.143 17.400 -2.265 1.00 0.41 O ATOM 1465 CB LYS B 23 5.487 17.306 -4.653 1.00 0.36 C ATOM 1466 CG LYS B 23 6.528 17.004 -5.717 1.00 0.42 C ATOM 1467 CD LYS B 23 7.315 18.244 -6.099 1.00 0.57 C ATOM 1468 CE LYS B 23 8.463 17.905 -7.037 1.00 1.21 C ATOM 1469 NZ LYS B 23 9.297 19.095 -7.350 1.00 1.79 N ATOM 0 H LYS B 23 4.207 14.621 -5.583 1.00 0.37 H new ATOM 0 HA LYS B 23 5.481 15.291 -3.922 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.764 18.017 -5.052 1.00 0.36 H new ATOM 0 HB3 LYS B 23 5.973 17.788 -3.804 1.00 0.36 H new ATOM 0 HG2 LYS B 23 7.211 16.238 -5.351 1.00 0.42 H new ATOM 0 HG3 LYS B 23 6.037 16.597 -6.601 1.00 0.42 H new ATOM 0 HD2 LYS B 23 6.652 18.964 -6.578 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.706 18.720 -5.200 1.00 0.57 H new ATOM 0 HE2 LYS B 23 9.086 17.135 -6.583 1.00 1.21 H new ATOM 0 HE3 LYS B 23 8.064 17.488 -7.962 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 10.068 18.820 -7.992 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 8.709 19.821 -7.807 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 9.699 19.478 -6.471 1.00 1.79 H new ATOM 1483 N GLU B 24 3.124 15.408 -2.496 1.00 0.38 N ATOM 1484 CA GLU B 24 2.323 15.540 -1.283 1.00 0.46 C ATOM 1485 C GLU B 24 3.156 15.204 -0.048 1.00 0.40 C ATOM 1486 O GLU B 24 2.687 15.318 1.085 1.00 0.44 O ATOM 1487 CB GLU B 24 1.104 14.618 -1.352 1.00 0.57 C ATOM 1488 CG GLU B 24 0.156 14.938 -2.495 1.00 0.85 C ATOM 1489 CD GLU B 24 -0.466 16.313 -2.368 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -1.320 16.501 -1.477 1.00 1.84 O ATOM 1491 OE2 GLU B 24 -0.122 17.204 -3.169 1.00 1.66 O ATOM 0 H GLU B 24 2.977 14.534 -3.001 1.00 0.38 H new ATOM 0 HA GLU B 24 1.986 16.574 -1.207 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.445 13.588 -1.453 1.00 0.57 H new ATOM 0 HB3 GLU B 24 0.558 14.682 -0.411 1.00 0.57 H new ATOM 0 HG2 GLU B 24 0.697 14.874 -3.439 1.00 0.85 H new ATOM 0 HG3 GLU B 24 -0.634 14.188 -2.528 1.00 0.85 H new ATOM 1498 N ILE B 25 4.390 14.789 -0.281 1.00 0.36 N ATOM 1499 CA ILE B 25 5.296 14.422 0.792 1.00 0.33 C ATOM 1500 C ILE B 25 6.646 15.107 0.577 1.00 0.33 C ATOM 1501 O ILE B 25 7.032 15.380 -0.564 1.00 0.34 O ATOM 1502 CB ILE B 25 5.472 12.882 0.865 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.267 12.480 2.114 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.153 12.363 -0.393 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.362 10.981 2.324 1.00 0.28 C ATOM 0 H ILE B 25 4.790 14.698 -1.215 1.00 0.36 H new ATOM 0 HA ILE B 25 4.872 14.754 1.740 1.00 0.33 H new ATOM 0 HB ILE B 25 4.483 12.430 0.934 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.274 12.891 2.040 1.00 0.29 H new ATOM 0 HG13 ILE B 25 5.801 12.931 2.990 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.268 11.281 -0.324 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.545 12.609 -1.264 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.134 12.827 -0.493 1.00 0.26 H new ATOM 0 HD11 ILE B 25 6.938 10.776 3.226 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.360 10.564 2.431 1.00 0.28 H new ATOM 0 HD13 ILE B 25 6.855 10.524 1.466 1.00 0.28 H new ATOM 1517 N SER B 26 7.334 15.413 1.670 1.00 0.35 N ATOM 1518 CA SER B 26 8.622 16.093 1.616 1.00 0.38 C ATOM 1519 C SER B 26 9.676 15.276 0.861 1.00 0.34 C ATOM 1520 O SER B 26 9.518 14.070 0.670 1.00 0.31 O ATOM 1521 CB SER B 26 9.091 16.405 3.033 1.00 0.46 C ATOM 1522 OG SER B 26 8.168 17.255 3.693 1.00 1.47 O ATOM 0 H SER B 26 7.016 15.198 2.615 1.00 0.35 H new ATOM 0 HA SER B 26 8.491 17.023 1.062 1.00 0.38 H new ATOM 0 HB2 SER B 26 9.205 15.478 3.595 1.00 0.46 H new ATOM 0 HB3 SER B 26 10.071 16.881 3.000 1.00 0.46 H new ATOM 0 HG SER B 26 8.486 17.442 4.601 1.00 1.47 H new ATOM 1528 N GLU B 27 10.744 15.956 0.445 1.00 0.40 N ATOM 1529 CA GLU B 27 11.769 15.387 -0.437 1.00 0.45 C ATOM 1530 C GLU B 27 12.288 14.029 0.038 1.00 0.40 C ATOM 1531 O GLU B 27 12.214 13.043 -0.697 1.00 0.44 O ATOM 1532 CB GLU B 27 12.935 16.365 -0.569 1.00 0.69 C ATOM 1533 CG GLU B 27 12.548 17.685 -1.213 1.00 0.75 C ATOM 1534 CD GLU B 27 12.124 17.524 -2.656 1.00 1.21 C ATOM 1535 OE1 GLU B 27 12.996 17.592 -3.547 1.00 1.87 O ATOM 1536 OE2 GLU B 27 10.917 17.332 -2.913 1.00 1.70 O ATOM 0 H GLU B 27 10.926 16.924 0.711 1.00 0.40 H new ATOM 0 HA GLU B 27 11.295 15.223 -1.405 1.00 0.45 H new ATOM 0 HB2 GLU B 27 13.349 16.560 0.420 1.00 0.69 H new ATOM 0 HB3 GLU B 27 13.724 15.899 -1.159 1.00 0.69 H new ATOM 0 HG2 GLU B 27 11.733 18.137 -0.647 1.00 0.75 H new ATOM 0 HG3 GLU B 27 13.392 18.372 -1.160 1.00 0.75 H new ATOM 1543 N ASP B 28 12.807 13.975 1.261 1.00 0.38 N ATOM 1544 CA ASP B 28 13.386 12.735 1.782 1.00 0.39 C ATOM 1545 C ASP B 28 12.317 11.666 1.915 1.00 0.34 C ATOM 1546 O ASP B 28 12.559 10.489 1.645 1.00 0.38 O ATOM 1547 CB ASP B 28 14.069 12.964 3.131 1.00 0.46 C ATOM 1548 CG ASP B 28 14.626 11.682 3.721 1.00 1.00 C ATOM 1549 OD1 ASP B 28 15.600 11.135 3.164 1.00 1.84 O ATOM 1550 OD2 ASP B 28 14.099 11.222 4.757 1.00 1.64 O ATOM 0 H ASP B 28 12.840 14.765 1.906 1.00 0.38 H new ATOM 0 HA ASP B 28 14.141 12.397 1.072 1.00 0.39 H new ATOM 0 HB2 ASP B 28 14.877 13.686 3.009 1.00 0.46 H new ATOM 0 HB3 ASP B 28 13.354 13.401 3.828 1.00 0.46 H new ATOM 1555 N GLY B 29 11.129 12.086 2.319 1.00 0.30 N ATOM 1556 CA GLY B 29 10.007 11.176 2.384 1.00 0.30 C ATOM 1557 C GLY B 29 9.689 10.588 1.024 1.00 0.26 C ATOM 1558 O GLY B 29 9.517 9.377 0.889 1.00 0.24 O ATOM 0 H GLY B 29 10.922 13.043 2.604 1.00 0.30 H new ATOM 0 HA2 GLY B 29 10.229 10.372 3.086 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.133 11.702 2.768 1.00 0.30 H new ATOM 1562 N ALA B 30 9.622 11.451 0.014 1.00 0.24 N ATOM 1563 CA ALA B 30 9.377 11.029 -1.360 1.00 0.23 C ATOM 1564 C ALA B 30 10.422 10.026 -1.829 1.00 0.22 C ATOM 1565 O ALA B 30 10.086 8.991 -2.402 1.00 0.21 O ATOM 1566 CB ALA B 30 9.354 12.236 -2.288 1.00 0.24 C ATOM 0 H ALA B 30 9.736 12.459 0.125 1.00 0.24 H new ATOM 0 HA ALA B 30 8.404 10.538 -1.389 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.170 11.906 -3.310 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.562 12.918 -1.979 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.314 12.750 -2.240 1.00 0.24 H new ATOM 1572 N ASP B 31 11.688 10.331 -1.581 1.00 0.24 N ATOM 1573 CA ASP B 31 12.779 9.446 -1.979 1.00 0.25 C ATOM 1574 C ASP B 31 12.656 8.094 -1.283 1.00 0.24 C ATOM 1575 O ASP B 31 12.871 7.046 -1.894 1.00 0.23 O ATOM 1576 CB ASP B 31 14.135 10.074 -1.659 1.00 0.31 C ATOM 1577 CG ASP B 31 15.288 9.191 -2.094 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.587 9.153 -3.307 1.00 1.34 O ATOM 1579 OD2 ASP B 31 15.903 8.536 -1.228 1.00 1.47 O ATOM 0 H ASP B 31 11.987 11.183 -1.107 1.00 0.24 H new ATOM 0 HA ASP B 31 12.711 9.296 -3.056 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.212 11.041 -2.155 1.00 0.31 H new ATOM 0 HB3 ASP B 31 14.205 10.259 -0.587 1.00 0.31 H new ATOM 1584 N SER B 32 12.279 8.127 -0.012 1.00 0.24 N ATOM 1585 CA SER B 32 12.085 6.908 0.759 1.00 0.24 C ATOM 1586 C SER B 32 10.935 6.080 0.181 1.00 0.20 C ATOM 1587 O SER B 32 10.943 4.853 0.248 1.00 0.23 O ATOM 1588 CB SER B 32 11.814 7.248 2.223 1.00 0.26 C ATOM 1589 OG SER B 32 12.842 8.072 2.748 1.00 0.92 O ATOM 0 H SER B 32 12.101 8.987 0.507 1.00 0.24 H new ATOM 0 HA SER B 32 12.996 6.313 0.700 1.00 0.24 H new ATOM 0 HB2 SER B 32 10.854 7.756 2.311 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.744 6.330 2.807 1.00 0.26 H new ATOM 0 HG SER B 32 12.742 8.982 2.400 1.00 0.92 H new ATOM 1595 N LEU B 33 9.951 6.756 -0.400 1.00 0.17 N ATOM 1596 CA LEU B 33 8.839 6.070 -1.044 1.00 0.15 C ATOM 1597 C LEU B 33 9.269 5.503 -2.390 1.00 0.14 C ATOM 1598 O LEU B 33 8.803 4.439 -2.801 1.00 0.13 O ATOM 1599 CB LEU B 33 7.648 7.012 -1.227 1.00 0.16 C ATOM 1600 CG LEU B 33 7.041 7.554 0.066 1.00 0.18 C ATOM 1601 CD1 LEU B 33 5.886 8.488 -0.244 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.581 6.413 0.965 1.00 0.19 C ATOM 0 H LEU B 33 9.901 7.774 -0.438 1.00 0.17 H new ATOM 0 HA LEU B 33 8.532 5.248 -0.398 1.00 0.15 H new ATOM 0 HB2 LEU B 33 7.963 7.855 -1.842 1.00 0.16 H new ATOM 0 HB3 LEU B 33 6.871 6.486 -1.781 1.00 0.16 H new ATOM 0 HG LEU B 33 7.809 8.117 0.597 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.464 8.866 0.687 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.245 9.323 -0.845 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.118 7.946 -0.797 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.152 6.821 1.880 1.00 0.19 H new ATOM 0 HD22 LEU B 33 5.829 5.820 0.445 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.433 5.780 1.214 1.00 0.19 H new ATOM 1614 N ASN B 34 10.167 6.208 -3.068 1.00 0.15 N ATOM 1615 CA ASN B 34 10.690 5.748 -4.348 1.00 0.16 C ATOM 1616 C ASN B 34 11.409 4.416 -4.189 1.00 0.16 C ATOM 1617 O ASN B 34 11.131 3.465 -4.923 1.00 0.17 O ATOM 1618 CB ASN B 34 11.633 6.782 -4.971 1.00 0.18 C ATOM 1619 CG ASN B 34 10.901 7.839 -5.776 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.663 7.668 -6.970 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.543 8.939 -5.136 1.00 0.21 N ATOM 0 H ASN B 34 10.548 7.100 -2.753 1.00 0.15 H new ATOM 0 HA ASN B 34 9.841 5.614 -5.019 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.206 7.267 -4.180 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.348 6.272 -5.616 1.00 0.18 H new ATOM 0 HD21 ASN B 34 10.052 9.682 -5.634 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.758 9.045 -4.145 1.00 0.21 H new ATOM 1628 N VAL B 35 12.308 4.337 -3.213 1.00 0.18 N ATOM 1629 CA VAL B 35 13.042 3.103 -2.959 1.00 0.20 C ATOM 1630 C VAL B 35 12.108 2.027 -2.406 1.00 0.18 C ATOM 1631 O VAL B 35 12.329 0.834 -2.612 1.00 0.21 O ATOM 1632 CB VAL B 35 14.229 3.317 -1.990 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.212 4.322 -2.564 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.751 3.771 -0.620 1.00 0.23 C ATOM 0 H VAL B 35 12.545 5.108 -2.589 1.00 0.18 H new ATOM 0 HA VAL B 35 13.450 2.774 -3.915 1.00 0.20 H new ATOM 0 HB VAL B 35 14.735 2.359 -1.870 1.00 0.23 H new ATOM 0 HG11 VAL B 35 16.040 4.459 -1.868 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.595 3.954 -3.516 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.708 5.276 -2.721 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.610 3.912 0.037 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.210 4.712 -0.717 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.091 3.015 -0.196 1.00 0.23 H new ATOM 1644 N ALA B 36 11.055 2.459 -1.717 1.00 0.17 N ATOM 1645 CA ALA B 36 10.052 1.540 -1.203 1.00 0.17 C ATOM 1646 C ALA B 36 9.316 0.864 -2.350 1.00 0.15 C ATOM 1647 O ALA B 36 9.253 -0.362 -2.416 1.00 0.16 O ATOM 1648 CB ALA B 36 9.070 2.267 -0.297 1.00 0.18 C ATOM 0 H ALA B 36 10.877 3.440 -1.503 1.00 0.17 H new ATOM 0 HA ALA B 36 10.558 0.775 -0.614 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.328 1.561 0.076 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.607 2.707 0.543 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.570 3.055 -0.860 1.00 0.18 H new ATOM 1654 N MET B 37 8.777 1.671 -3.266 1.00 0.14 N ATOM 1655 CA MET B 37 8.069 1.159 -4.431 1.00 0.15 C ATOM 1656 C MET B 37 8.965 0.249 -5.253 1.00 0.15 C ATOM 1657 O MET B 37 8.511 -0.756 -5.802 1.00 0.18 O ATOM 1658 CB MET B 37 7.590 2.313 -5.307 1.00 0.16 C ATOM 1659 CG MET B 37 6.524 3.179 -4.666 1.00 0.16 C ATOM 1660 SD MET B 37 5.952 4.493 -5.759 1.00 0.21 S ATOM 1661 CE MET B 37 7.438 5.480 -5.932 1.00 0.19 C ATOM 0 H MET B 37 8.821 2.689 -3.218 1.00 0.14 H new ATOM 0 HA MET B 37 7.212 0.587 -4.076 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.445 2.939 -5.563 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.200 1.908 -6.241 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.677 2.555 -4.380 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.920 3.619 -3.751 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.214 6.377 -6.509 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.802 5.765 -4.945 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.203 4.899 -6.447 1.00 0.19 H new ATOM 1671 N ASP B 38 10.235 0.619 -5.335 1.00 0.18 N ATOM 1672 CA ASP B 38 11.226 -0.163 -6.061 1.00 0.23 C ATOM 1673 C ASP B 38 11.313 -1.579 -5.499 1.00 0.19 C ATOM 1674 O ASP B 38 11.298 -2.558 -6.247 1.00 0.23 O ATOM 1675 CB ASP B 38 12.591 0.527 -5.975 1.00 0.34 C ATOM 1676 CG ASP B 38 13.695 -0.261 -6.644 1.00 0.90 C ATOM 1677 OD1 ASP B 38 13.750 -0.277 -7.892 1.00 1.68 O ATOM 1678 OD2 ASP B 38 14.513 -0.871 -5.925 1.00 1.42 O ATOM 0 H ASP B 38 10.606 1.465 -4.903 1.00 0.18 H new ATOM 0 HA ASP B 38 10.923 -0.230 -7.106 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.524 1.512 -6.437 1.00 0.34 H new ATOM 0 HB3 ASP B 38 12.847 0.683 -4.927 1.00 0.34 H new ATOM 1683 N CYS B 39 11.370 -1.676 -4.178 1.00 0.18 N ATOM 1684 CA CYS B 39 11.464 -2.966 -3.506 1.00 0.18 C ATOM 1685 C CYS B 39 10.145 -3.732 -3.595 1.00 0.16 C ATOM 1686 O CYS B 39 10.137 -4.956 -3.714 1.00 0.19 O ATOM 1687 CB CYS B 39 11.860 -2.765 -2.045 1.00 0.21 C ATOM 1688 SG CYS B 39 13.401 -1.848 -1.825 1.00 0.27 S ATOM 0 H CYS B 39 11.353 -0.874 -3.548 1.00 0.18 H new ATOM 0 HA CYS B 39 12.230 -3.557 -4.008 1.00 0.18 H new ATOM 0 HB2 CYS B 39 11.057 -2.237 -1.530 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.957 -3.740 -1.567 1.00 0.21 H new ATOM 0 HG CYS B 39 13.212 -0.600 -2.137 1.00 0.27 H new ATOM 1694 N ILE B 40 9.030 -3.006 -3.551 1.00 0.14 N ATOM 1695 CA ILE B 40 7.709 -3.621 -3.661 1.00 0.14 C ATOM 1696 C ILE B 40 7.529 -4.247 -5.041 1.00 0.16 C ATOM 1697 O ILE B 40 7.128 -5.408 -5.168 1.00 0.16 O ATOM 1698 CB ILE B 40 6.583 -2.589 -3.428 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.685 -1.991 -2.023 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.217 -3.232 -3.636 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.749 -0.824 -1.790 1.00 0.16 C ATOM 0 H ILE B 40 9.015 -1.992 -3.440 1.00 0.14 H new ATOM 0 HA ILE B 40 7.644 -4.391 -2.892 1.00 0.14 H new ATOM 0 HB ILE B 40 6.699 -1.784 -4.154 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.471 -2.769 -1.290 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.710 -1.663 -1.850 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.436 -2.490 -3.468 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.144 -3.610 -4.656 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.092 -4.056 -2.934 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.877 -0.452 -0.773 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.977 -0.028 -2.499 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.719 -1.151 -1.930 1.00 0.16 H new ATOM 1713 N SER B 41 7.844 -3.470 -6.067 1.00 0.21 N ATOM 1714 CA SER B 41 7.714 -3.922 -7.443 1.00 0.28 C ATOM 1715 C SER B 41 8.627 -5.115 -7.703 1.00 0.30 C ATOM 1716 O SER B 41 8.241 -6.068 -8.377 1.00 0.34 O ATOM 1717 CB SER B 41 8.046 -2.775 -8.399 1.00 0.37 C ATOM 1718 OG SER B 41 7.274 -1.624 -8.089 1.00 1.13 O ATOM 0 H SER B 41 8.194 -2.517 -5.970 1.00 0.21 H new ATOM 0 HA SER B 41 6.685 -4.238 -7.614 1.00 0.28 H new ATOM 0 HB2 SER B 41 9.107 -2.536 -8.333 1.00 0.37 H new ATOM 0 HB3 SER B 41 7.852 -3.083 -9.426 1.00 0.37 H new ATOM 0 HG SER B 41 7.578 -1.246 -7.237 1.00 1.13 H new ATOM 1724 N GLU B 42 9.833 -5.054 -7.155 1.00 0.32 N ATOM 1725 CA GLU B 42 10.791 -6.142 -7.287 1.00 0.38 C ATOM 1726 C GLU B 42 10.292 -7.402 -6.574 1.00 0.32 C ATOM 1727 O GLU B 42 10.485 -8.515 -7.062 1.00 0.44 O ATOM 1728 CB GLU B 42 12.150 -5.721 -6.725 1.00 0.46 C ATOM 1729 CG GLU B 42 13.283 -6.658 -7.108 1.00 0.60 C ATOM 1730 CD GLU B 42 13.513 -6.712 -8.607 1.00 1.45 C ATOM 1731 OE1 GLU B 42 14.286 -5.876 -9.123 1.00 2.00 O ATOM 1732 OE2 GLU B 42 12.929 -7.592 -9.277 1.00 2.23 O ATOM 0 H GLU B 42 10.172 -4.259 -6.613 1.00 0.32 H new ATOM 0 HA GLU B 42 10.901 -6.371 -8.347 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.385 -4.717 -7.078 1.00 0.46 H new ATOM 0 HB3 GLU B 42 12.084 -5.669 -5.638 1.00 0.46 H new ATOM 0 HG2 GLU B 42 14.200 -6.335 -6.615 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.060 -7.660 -6.742 1.00 0.60 H new ATOM 1739 N ALA B 43 9.635 -7.218 -5.431 1.00 0.19 N ATOM 1740 CA ALA B 43 9.138 -8.337 -4.634 1.00 0.17 C ATOM 1741 C ALA B 43 8.154 -9.198 -5.417 1.00 0.17 C ATOM 1742 O ALA B 43 8.318 -10.415 -5.509 1.00 0.25 O ATOM 1743 CB ALA B 43 8.484 -7.833 -3.356 1.00 0.20 C ATOM 0 H ALA B 43 9.434 -6.300 -5.035 1.00 0.19 H new ATOM 0 HA ALA B 43 9.996 -8.958 -4.378 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.120 -8.680 -2.775 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.215 -7.277 -2.768 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.649 -7.180 -3.608 1.00 0.20 H new ATOM 1749 N PHE B 44 7.135 -8.567 -5.985 1.00 0.19 N ATOM 1750 CA PHE B 44 6.103 -9.303 -6.706 1.00 0.25 C ATOM 1751 C PHE B 44 6.440 -9.430 -8.189 1.00 0.30 C ATOM 1752 O PHE B 44 5.736 -10.102 -8.943 1.00 0.35 O ATOM 1753 CB PHE B 44 4.736 -8.639 -6.528 1.00 0.27 C ATOM 1754 CG PHE B 44 4.245 -8.643 -5.109 1.00 0.26 C ATOM 1755 CD1 PHE B 44 3.514 -9.712 -4.622 1.00 1.10 C ATOM 1756 CD2 PHE B 44 4.513 -7.578 -4.263 1.00 1.15 C ATOM 1757 CE1 PHE B 44 3.060 -9.721 -3.319 1.00 1.12 C ATOM 1758 CE2 PHE B 44 4.060 -7.582 -2.958 1.00 1.15 C ATOM 1759 CZ PHE B 44 3.332 -8.657 -2.485 1.00 0.31 C ATOM 0 H PHE B 44 7.000 -7.556 -5.962 1.00 0.19 H new ATOM 0 HA PHE B 44 6.062 -10.307 -6.283 1.00 0.25 H new ATOM 0 HB2 PHE B 44 4.793 -7.609 -6.881 1.00 0.27 H new ATOM 0 HB3 PHE B 44 4.008 -9.152 -7.157 1.00 0.27 H new ATOM 0 HD1 PHE B 44 3.296 -10.549 -5.269 1.00 1.10 H new ATOM 0 HD2 PHE B 44 5.082 -6.736 -4.628 1.00 1.15 H new ATOM 0 HE1 PHE B 44 2.491 -10.562 -2.952 1.00 1.12 H new ATOM 0 HE2 PHE B 44 4.274 -6.746 -2.308 1.00 1.15 H new ATOM 0 HZ PHE B 44 2.977 -8.664 -1.465 1.00 0.31 H new ATOM 1769 N GLY B 45 7.526 -8.770 -8.588 1.00 0.29 N ATOM 1770 CA GLY B 45 8.014 -8.857 -9.953 1.00 0.35 C ATOM 1771 C GLY B 45 7.107 -8.172 -10.955 1.00 0.37 C ATOM 1772 O GLY B 45 6.680 -8.789 -11.927 1.00 0.43 O ATOM 0 H GLY B 45 8.082 -8.169 -7.980 1.00 0.29 H new ATOM 0 HA2 GLY B 45 9.007 -8.410 -10.006 1.00 0.35 H new ATOM 0 HA3 GLY B 45 8.121 -9.906 -10.228 1.00 0.35 H new ATOM 1776 N PHE B 46 6.821 -6.896 -10.732 1.00 0.36 N ATOM 1777 CA PHE B 46 5.941 -6.151 -11.625 1.00 0.39 C ATOM 1778 C PHE B 46 6.439 -4.718 -11.806 1.00 0.39 C ATOM 1779 O PHE B 46 7.350 -4.275 -11.103 1.00 0.40 O ATOM 1780 CB PHE B 46 4.501 -6.154 -11.090 1.00 0.36 C ATOM 1781 CG PHE B 46 4.290 -5.324 -9.851 1.00 0.30 C ATOM 1782 CD1 PHE B 46 4.728 -5.767 -8.616 1.00 1.17 C ATOM 1783 CD2 PHE B 46 3.647 -4.099 -9.928 1.00 1.27 C ATOM 1784 CE1 PHE B 46 4.530 -5.004 -7.479 1.00 1.17 C ATOM 1785 CE2 PHE B 46 3.447 -3.334 -8.798 1.00 1.26 C ATOM 1786 CZ PHE B 46 3.889 -3.786 -7.572 1.00 0.21 C ATOM 0 H PHE B 46 7.183 -6.357 -9.945 1.00 0.36 H new ATOM 0 HA PHE B 46 5.950 -6.642 -12.598 1.00 0.39 H new ATOM 0 HB2 PHE B 46 3.836 -5.790 -11.873 1.00 0.36 H new ATOM 0 HB3 PHE B 46 4.209 -7.182 -10.877 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.231 -6.720 -8.538 1.00 1.17 H new ATOM 0 HD2 PHE B 46 3.298 -3.739 -10.885 1.00 1.27 H new ATOM 0 HE1 PHE B 46 4.877 -5.361 -6.521 1.00 1.17 H new ATOM 0 HE2 PHE B 46 2.944 -2.381 -8.873 1.00 1.26 H new ATOM 0 HZ PHE B 46 3.734 -3.187 -6.687 1.00 0.21 H new ATOM 1796 N GLU B 47 5.841 -4.011 -12.758 1.00 0.41 N ATOM 1797 CA GLU B 47 6.189 -2.621 -13.039 1.00 0.44 C ATOM 1798 C GLU B 47 5.135 -1.694 -12.455 1.00 0.40 C ATOM 1799 O GLU B 47 3.976 -2.078 -12.300 1.00 0.39 O ATOM 1800 CB GLU B 47 6.271 -2.387 -14.546 1.00 0.53 C ATOM 1801 CG GLU B 47 7.371 -3.168 -15.237 1.00 0.59 C ATOM 1802 CD GLU B 47 7.396 -2.917 -16.727 1.00 1.14 C ATOM 1803 OE1 GLU B 47 6.657 -3.604 -17.460 1.00 1.55 O ATOM 1804 OE2 GLU B 47 8.152 -2.025 -17.173 1.00 1.92 O ATOM 0 H GLU B 47 5.103 -4.383 -13.356 1.00 0.41 H new ATOM 0 HA GLU B 47 7.158 -2.412 -12.586 1.00 0.44 H new ATOM 0 HB2 GLU B 47 5.314 -2.652 -14.996 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.425 -1.324 -14.729 1.00 0.53 H new ATOM 0 HG2 GLU B 47 8.335 -2.894 -14.807 1.00 0.59 H new ATOM 0 HG3 GLU B 47 7.231 -4.233 -15.051 1.00 0.59 H new ATOM 1811 N ARG B 48 5.523 -0.455 -12.178 1.00 0.41 N ATOM 1812 CA ARG B 48 4.617 0.509 -11.573 1.00 0.40 C ATOM 1813 C ARG B 48 3.709 1.110 -12.635 1.00 0.41 C ATOM 1814 O ARG B 48 2.709 1.747 -12.325 1.00 0.43 O ATOM 1815 CB ARG B 48 5.398 1.626 -10.878 1.00 0.44 C ATOM 1816 CG ARG B 48 6.277 1.146 -9.738 1.00 0.61 C ATOM 1817 CD ARG B 48 6.971 2.309 -9.050 1.00 0.91 C ATOM 1818 NE ARG B 48 7.861 3.035 -9.956 1.00 1.19 N ATOM 1819 CZ ARG B 48 7.895 4.363 -10.075 1.00 1.88 C ATOM 1820 NH1 ARG B 48 7.015 5.123 -9.428 1.00 2.57 N ATOM 1821 NH2 ARG B 48 8.792 4.931 -10.867 1.00 2.20 N ATOM 0 H ARG B 48 6.459 -0.096 -12.363 1.00 0.41 H new ATOM 0 HA ARG B 48 4.013 -0.012 -10.830 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.021 2.133 -11.615 1.00 0.44 H new ATOM 0 HB3 ARG B 48 4.693 2.364 -10.494 1.00 0.44 H new ATOM 0 HG2 ARG B 48 5.672 0.601 -9.014 1.00 0.61 H new ATOM 0 HG3 ARG B 48 7.023 0.449 -10.120 1.00 0.61 H new ATOM 0 HD2 ARG B 48 6.222 2.994 -8.653 1.00 0.91 H new ATOM 0 HD3 ARG B 48 7.544 1.937 -8.201 1.00 0.91 H new ATOM 0 HE ARG B 48 8.498 2.489 -10.536 1.00 1.19 H new ATOM 0 HH11 ARG B 48 6.307 4.691 -8.835 1.00 2.57 H new ATOM 0 HH12 ARG B 48 7.049 6.138 -9.525 1.00 2.57 H new ATOM 0 HH21 ARG B 48 9.455 4.353 -11.384 1.00 2.20 H new ATOM 0 HH22 ARG B 48 8.820 5.946 -10.960 1.00 2.20 H new ATOM 1835 N GLU B 49 4.082 0.921 -13.891 1.00 0.42 N ATOM 1836 CA GLU B 49 3.302 1.440 -15.006 1.00 0.46 C ATOM 1837 C GLU B 49 2.257 0.425 -15.452 1.00 0.43 C ATOM 1838 O GLU B 49 1.399 0.717 -16.284 1.00 0.46 O ATOM 1839 CB GLU B 49 4.225 1.795 -16.169 1.00 0.57 C ATOM 1840 CG GLU B 49 5.319 2.773 -15.779 1.00 1.14 C ATOM 1841 CD GLU B 49 6.198 3.162 -16.944 1.00 1.54 C ATOM 1842 OE1 GLU B 49 7.196 2.456 -17.205 1.00 2.04 O ATOM 1843 OE2 GLU B 49 5.905 4.188 -17.591 1.00 2.24 O ATOM 0 H GLU B 49 4.922 0.411 -14.165 1.00 0.42 H new ATOM 0 HA GLU B 49 2.784 2.341 -14.677 1.00 0.46 H new ATOM 0 HB2 GLU B 49 4.681 0.883 -16.556 1.00 0.57 H new ATOM 0 HB3 GLU B 49 3.633 2.223 -16.978 1.00 0.57 H new ATOM 0 HG2 GLU B 49 4.865 3.670 -15.357 1.00 1.14 H new ATOM 0 HG3 GLU B 49 5.935 2.329 -14.997 1.00 1.14 H new ATOM 1850 N ALA B 50 2.327 -0.770 -14.882 1.00 0.41 N ATOM 1851 CA ALA B 50 1.381 -1.826 -15.210 1.00 0.42 C ATOM 1852 C ALA B 50 0.182 -1.791 -14.269 1.00 0.37 C ATOM 1853 O ALA B 50 -0.767 -2.560 -14.425 1.00 0.41 O ATOM 1854 CB ALA B 50 2.067 -3.181 -15.143 1.00 0.48 C ATOM 0 H ALA B 50 3.029 -1.032 -14.190 1.00 0.41 H new ATOM 0 HA ALA B 50 1.020 -1.663 -16.226 1.00 0.42 H new ATOM 0 HB1 ALA B 50 1.350 -3.964 -15.390 1.00 0.48 H new ATOM 0 HB2 ALA B 50 2.892 -3.207 -15.855 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.451 -3.345 -14.136 1.00 0.48 H new ATOM 1860 N VAL B 51 0.236 -0.884 -13.297 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.792 -0.793 -12.264 1.00 0.31 C ATOM 1862 C VAL B 51 -2.198 -0.646 -12.841 1.00 0.36 C ATOM 1863 O VAL B 51 -3.122 -1.280 -12.352 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.524 0.359 -11.269 1.00 0.29 C ATOM 1865 CG1 VAL B 51 0.768 0.115 -10.509 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.481 1.707 -11.975 1.00 0.33 C ATOM 0 H VAL B 51 0.985 -0.198 -13.203 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.739 -1.740 -11.727 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.350 0.383 -10.558 1.00 0.29 H new ATOM 0 HG11 VAL B 51 0.941 0.936 -9.813 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.693 -0.821 -9.955 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.598 0.055 -11.213 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.291 2.494 -11.245 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.315 1.702 -12.720 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.436 1.891 -12.466 1.00 0.33 H new ATOM 1876 N SER B 52 -2.362 0.163 -13.882 1.00 0.37 N ATOM 1877 CA SER B 52 -3.685 0.401 -14.451 1.00 0.45 C ATOM 1878 C SER B 52 -4.286 -0.906 -14.968 1.00 0.47 C ATOM 1879 O SER B 52 -5.419 -1.256 -14.632 1.00 0.50 O ATOM 1880 CB SER B 52 -3.603 1.442 -15.573 1.00 0.53 C ATOM 1881 OG SER B 52 -4.895 1.843 -15.998 1.00 1.25 O ATOM 0 H SER B 52 -1.603 0.662 -14.346 1.00 0.37 H new ATOM 0 HA SER B 52 -4.336 0.791 -13.669 1.00 0.45 H new ATOM 0 HB2 SER B 52 -3.046 2.312 -15.225 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.052 1.027 -16.417 1.00 0.53 H new ATOM 0 HG SER B 52 -4.812 2.508 -16.713 1.00 1.25 H new ATOM 1887 N GLY B 53 -3.513 -1.619 -15.781 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.937 -2.915 -16.285 1.00 0.57 C ATOM 1889 C GLY B 53 -4.306 -3.893 -15.184 1.00 0.54 C ATOM 1890 O GLY B 53 -5.264 -4.655 -15.320 1.00 0.59 O ATOM 0 H GLY B 53 -2.592 -1.320 -16.103 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -4.795 -2.779 -16.944 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -3.136 -3.343 -16.889 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.551 -3.876 -14.096 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.801 -4.773 -12.975 1.00 0.51 C ATOM 1896 C ILE B 54 -5.029 -4.328 -12.176 1.00 0.50 C ATOM 1897 O ILE B 54 -5.969 -5.099 -11.978 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.576 -4.839 -12.036 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -1.330 -5.277 -12.814 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.842 -5.790 -10.879 1.00 0.55 C ATOM 1901 CD1 ILE B 54 -0.062 -5.283 -11.986 1.00 0.48 C ATOM 0 H ILE B 54 -2.757 -3.249 -13.964 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.987 -5.764 -13.389 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.398 -3.843 -11.629 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -1.496 -6.277 -13.214 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -1.193 -4.612 -13.666 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -1.969 -5.824 -10.228 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.704 -5.440 -10.311 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -3.044 -6.788 -11.268 1.00 0.55 H new ATOM 0 HD11 ILE B 54 0.776 -5.604 -12.605 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.130 -4.279 -11.607 1.00 0.48 H new ATOM 0 HD13 ILE B 54 -0.178 -5.971 -11.148 1.00 0.48 H new ATOM 1913 N LEU B 55 -5.009 -3.069 -11.758 1.00 0.46 N ATOM 1914 CA LEU B 55 -6.044 -2.488 -10.898 1.00 0.48 C ATOM 1915 C LEU B 55 -7.425 -2.482 -11.548 1.00 0.55 C ATOM 1916 O LEU B 55 -8.436 -2.356 -10.857 1.00 0.65 O ATOM 1917 CB LEU B 55 -5.669 -1.057 -10.507 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.370 -0.917 -9.714 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.096 0.543 -9.393 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.435 -1.746 -8.441 1.00 0.45 C ATOM 0 H LEU B 55 -4.269 -2.412 -12.006 1.00 0.46 H new ATOM 0 HA LEU B 55 -6.098 -3.122 -10.013 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.588 -0.459 -11.415 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.483 -0.633 -9.918 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.548 -1.291 -10.325 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -3.167 0.623 -8.828 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -4.007 1.109 -10.320 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -4.917 0.945 -8.800 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.503 -1.636 -7.887 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.266 -1.402 -7.825 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.583 -2.795 -8.697 1.00 0.45 H new