USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=22 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+ 177:sc= 0 (180deg=-0.0108) USER MOD Single : A 14 ASN : amide:sc= -0.0608 K(o=-0.061,f=-0.65) USER MOD Single : A 15 TYR OH : rot -110:sc= -2.34! USER MOD Single : A 17 SER OG : rot 4:sc= 1.05 USER MOD Single : A 18 SER OG : rot 77:sc= 1.2 USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.16) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc=0.000622 USER MOD Single : A 32 SER OG : rot -102:sc= 1.25 USER MOD Single : A 34 ASN : amide:sc= 0.97 K(o=0.97,f=-0.017) USER MOD Single : A 37 MET CE :methyl -178:sc= -1.36 (180deg=-1.39) USER MOD Single : A 39 CYS SG : rot 70:sc= 1.12 USER MOD Single : A 41 SER OG : rot 11:sc= 0.936 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0191 USER MOD Single : B 5 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0124) USER MOD Single : B 14 ASN : amide:sc= -0.0627 K(o=-0.063,f=-0.62) USER MOD Single : B 15 TYR OH : rot 60:sc= -2.46! USER MOD Single : B 17 SER OG : rot 54:sc= 1.28 USER MOD Single : B 18 SER OG : rot 79:sc= 1.2 USER MOD Single : B 22 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.16) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 SER OG : rot 180:sc= 0.00121 USER MOD Single : B 32 SER OG : rot -101:sc= 1.26 USER MOD Single : B 34 ASN : amide:sc= 0.994 K(o=0.99,f=-0.019) USER MOD Single : B 37 MET CE :methyl -178:sc= -1.31 (180deg=-1.36) USER MOD Single : B 39 CYS SG : rot 70:sc= 1.18 USER MOD Single : B 41 SER OG : rot 14:sc= 0.945 USER MOD Single : B 52 SER OG : rot 180:sc= 0.0176 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 5 -2.199 10.317 3.700 1.00 0.41 N ATOM 75 CA LYS A 5 -1.006 9.514 3.448 1.00 0.36 C ATOM 76 C LYS A 5 -0.598 8.662 4.642 1.00 0.27 C ATOM 77 O LYS A 5 -0.130 7.541 4.463 1.00 0.25 O ATOM 78 CB LYS A 5 0.152 10.414 3.000 1.00 0.42 C ATOM 79 CG LYS A 5 0.297 11.699 3.805 1.00 0.41 C ATOM 80 CD LYS A 5 1.423 12.566 3.268 1.00 0.53 C ATOM 81 CE LYS A 5 1.358 13.983 3.817 1.00 0.73 C ATOM 82 NZ LYS A 5 1.498 14.031 5.296 1.00 1.14 N ATOM 0 HA LYS A 5 -1.254 8.818 2.647 1.00 0.36 H new ATOM 0 HB2 LYS A 5 1.082 9.850 3.068 1.00 0.42 H new ATOM 0 HB3 LYS A 5 0.011 10.671 1.950 1.00 0.42 H new ATOM 0 HG2 LYS A 5 -0.639 12.256 3.775 1.00 0.41 H new ATOM 0 HG3 LYS A 5 0.490 11.456 4.850 1.00 0.41 H new ATOM 0 HD2 LYS A 5 2.382 12.119 3.530 1.00 0.53 H new ATOM 0 HD3 LYS A 5 1.371 12.595 2.180 1.00 0.53 H new ATOM 0 HE2 LYS A 5 2.147 14.581 3.362 1.00 0.73 H new ATOM 0 HE3 LYS A 5 0.409 14.436 3.531 1.00 0.73 H new ATOM 0 HZ1 LYS A 5 1.498 15.022 5.613 1.00 1.14 H new ATOM 0 HZ2 LYS A 5 0.702 13.526 5.737 1.00 1.14 H new ATOM 0 HZ3 LYS A 5 2.392 13.579 5.575 1.00 1.14 H new ATOM 96 N GLU A 6 -0.771 9.185 5.847 1.00 0.30 N ATOM 97 CA GLU A 6 -0.447 8.434 7.055 1.00 0.36 C ATOM 98 C GLU A 6 -1.379 7.235 7.212 1.00 0.38 C ATOM 99 O GLU A 6 -0.934 6.129 7.526 1.00 0.41 O ATOM 100 CB GLU A 6 -0.539 9.336 8.287 1.00 0.49 C ATOM 101 CG GLU A 6 -0.149 8.645 9.580 1.00 0.99 C ATOM 102 CD GLU A 6 -0.175 9.581 10.766 1.00 1.46 C ATOM 103 OE1 GLU A 6 0.774 10.376 10.916 1.00 2.00 O ATOM 104 OE2 GLU A 6 -1.145 9.535 11.550 1.00 2.11 O ATOM 0 H GLU A 6 -1.133 10.124 6.016 1.00 0.30 H new ATOM 0 HA GLU A 6 0.576 8.068 6.963 1.00 0.36 H new ATOM 0 HB2 GLU A 6 0.105 10.203 8.140 1.00 0.49 H new ATOM 0 HB3 GLU A 6 -1.559 9.709 8.378 1.00 0.49 H new ATOM 0 HG2 GLU A 6 -0.829 7.813 9.763 1.00 0.99 H new ATOM 0 HG3 GLU A 6 0.851 8.223 9.476 1.00 0.99 H new ATOM 111 N GLU A 7 -2.667 7.459 6.968 1.00 0.41 N ATOM 112 CA GLU A 7 -3.672 6.411 7.105 1.00 0.48 C ATOM 113 C GLU A 7 -3.391 5.280 6.129 1.00 0.40 C ATOM 114 O GLU A 7 -3.331 4.108 6.507 1.00 0.40 O ATOM 115 CB GLU A 7 -5.068 6.965 6.819 1.00 0.61 C ATOM 116 CG GLU A 7 -5.404 8.241 7.567 1.00 0.75 C ATOM 117 CD GLU A 7 -6.720 8.840 7.101 1.00 0.95 C ATOM 118 OE1 GLU A 7 -6.921 8.965 5.873 1.00 1.68 O ATOM 119 OE2 GLU A 7 -7.562 9.183 7.957 1.00 1.25 O ATOM 0 H GLU A 7 -3.040 8.361 6.673 1.00 0.41 H new ATOM 0 HA GLU A 7 -3.629 6.038 8.128 1.00 0.48 H new ATOM 0 HB2 GLU A 7 -5.159 7.152 5.749 1.00 0.61 H new ATOM 0 HB3 GLU A 7 -5.806 6.204 7.074 1.00 0.61 H new ATOM 0 HG2 GLU A 7 -5.458 8.032 8.635 1.00 0.75 H new ATOM 0 HG3 GLU A 7 -4.604 8.967 7.424 1.00 0.75 H new ATOM 126 N ILE A 8 -3.206 5.649 4.869 1.00 0.37 N ATOM 127 CA ILE A 8 -2.997 4.676 3.812 1.00 0.36 C ATOM 128 C ILE A 8 -1.684 3.929 4.014 1.00 0.27 C ATOM 129 O ILE A 8 -1.646 2.709 3.903 1.00 0.25 O ATOM 130 CB ILE A 8 -3.011 5.337 2.416 1.00 0.40 C ATOM 131 CG1 ILE A 8 -4.295 6.153 2.215 1.00 0.54 C ATOM 132 CG2 ILE A 8 -2.876 4.284 1.322 1.00 0.42 C ATOM 133 CD1 ILE A 8 -5.567 5.333 2.296 1.00 0.96 C ATOM 0 H ILE A 8 -3.197 6.620 4.556 1.00 0.37 H new ATOM 0 HA ILE A 8 -3.823 3.967 3.862 1.00 0.36 H new ATOM 0 HB ILE A 8 -2.159 6.014 2.352 1.00 0.40 H new ATOM 0 HG12 ILE A 8 -4.334 6.940 2.968 1.00 0.54 H new ATOM 0 HG13 ILE A 8 -4.253 6.644 1.243 1.00 0.54 H new ATOM 0 HG21 ILE A 8 -2.888 4.770 0.346 1.00 0.42 H new ATOM 0 HG22 ILE A 8 -1.936 3.746 1.448 1.00 0.42 H new ATOM 0 HG23 ILE A 8 -3.707 3.582 1.388 1.00 0.42 H new ATOM 0 HD11 ILE A 8 -6.429 5.983 2.144 1.00 0.96 H new ATOM 0 HD12 ILE A 8 -5.553 4.562 1.525 1.00 0.96 H new ATOM 0 HD13 ILE A 8 -5.635 4.864 3.277 1.00 0.96 H new ATOM 145 N ALA A 9 -0.615 4.662 4.324 1.00 0.25 N ATOM 146 CA ALA A 9 0.692 4.052 4.569 1.00 0.20 C ATOM 147 C ALA A 9 0.617 2.997 5.668 1.00 0.19 C ATOM 148 O ALA A 9 1.252 1.944 5.574 1.00 0.16 O ATOM 149 CB ALA A 9 1.714 5.115 4.930 1.00 0.21 C ATOM 0 H ALA A 9 -0.628 5.678 4.411 1.00 0.25 H new ATOM 0 HA ALA A 9 1.005 3.557 3.650 1.00 0.20 H new ATOM 0 HB1 ALA A 9 2.681 4.644 5.109 1.00 0.21 H new ATOM 0 HB2 ALA A 9 1.804 5.827 4.110 1.00 0.21 H new ATOM 0 HB3 ALA A 9 1.393 5.638 5.831 1.00 0.21 H new ATOM 155 N ALA A 10 -0.164 3.283 6.704 1.00 0.24 N ATOM 156 CA ALA A 10 -0.369 2.339 7.792 1.00 0.25 C ATOM 157 C ALA A 10 -1.013 1.058 7.273 1.00 0.24 C ATOM 158 O ALA A 10 -0.564 -0.047 7.576 1.00 0.22 O ATOM 159 CB ALA A 10 -1.230 2.965 8.880 1.00 0.33 C ATOM 0 H ALA A 10 -0.666 4.164 6.812 1.00 0.24 H new ATOM 0 HA ALA A 10 0.601 2.087 8.220 1.00 0.25 H new ATOM 0 HB1 ALA A 10 -1.375 2.247 9.687 1.00 0.33 H new ATOM 0 HB2 ALA A 10 -0.734 3.854 9.270 1.00 0.33 H new ATOM 0 HB3 ALA A 10 -2.198 3.243 8.463 1.00 0.33 H new ATOM 165 N LEU A 11 -2.055 1.219 6.472 1.00 0.27 N ATOM 166 CA LEU A 11 -2.745 0.088 5.866 1.00 0.30 C ATOM 167 C LEU A 11 -1.776 -0.690 4.972 1.00 0.26 C ATOM 168 O LEU A 11 -1.766 -1.922 4.960 1.00 0.29 O ATOM 169 CB LEU A 11 -3.954 0.611 5.060 1.00 0.38 C ATOM 170 CG LEU A 11 -4.969 -0.430 4.556 1.00 0.75 C ATOM 171 CD1 LEU A 11 -4.438 -1.190 3.348 1.00 1.56 C ATOM 172 CD2 LEU A 11 -5.346 -1.392 5.670 1.00 0.63 C ATOM 0 H LEU A 11 -2.444 2.129 6.224 1.00 0.27 H new ATOM 0 HA LEU A 11 -3.107 -0.591 6.638 1.00 0.30 H new ATOM 0 HB2 LEU A 11 -4.488 1.330 5.681 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -3.573 1.157 4.197 1.00 0.38 H new ATOM 0 HG LEU A 11 -5.864 0.107 4.241 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -5.181 -1.916 3.020 1.00 1.56 H new ATOM 0 HD12 LEU A 11 -4.233 -0.489 2.539 1.00 1.56 H new ATOM 0 HD13 LEU A 11 -3.519 -1.709 3.620 1.00 1.56 H new ATOM 0 HD21 LEU A 11 -6.064 -2.120 5.294 1.00 0.63 H new ATOM 0 HD22 LEU A 11 -4.454 -1.910 6.021 1.00 0.63 H new ATOM 0 HD23 LEU A 11 -5.791 -0.836 6.496 1.00 0.63 H new ATOM 184 N ILE A 12 -0.951 0.055 4.255 1.00 0.21 N ATOM 185 CA ILE A 12 0.016 -0.505 3.324 1.00 0.20 C ATOM 186 C ILE A 12 1.042 -1.398 4.024 1.00 0.18 C ATOM 187 O ILE A 12 1.213 -2.561 3.654 1.00 0.20 O ATOM 188 CB ILE A 12 0.732 0.627 2.556 1.00 0.19 C ATOM 189 CG1 ILE A 12 -0.252 1.291 1.587 1.00 0.22 C ATOM 190 CG2 ILE A 12 1.957 0.102 1.822 1.00 0.20 C ATOM 191 CD1 ILE A 12 0.303 2.505 0.877 1.00 0.25 C ATOM 0 H ILE A 12 -0.933 1.074 4.303 1.00 0.21 H new ATOM 0 HA ILE A 12 -0.534 -1.131 2.621 1.00 0.20 H new ATOM 0 HB ILE A 12 1.080 1.373 3.270 1.00 0.19 H new ATOM 0 HG12 ILE A 12 -0.562 0.558 0.842 1.00 0.22 H new ATOM 0 HG13 ILE A 12 -1.146 1.583 2.138 1.00 0.22 H new ATOM 0 HG21 ILE A 12 2.441 0.921 1.290 1.00 0.20 H new ATOM 0 HG22 ILE A 12 2.655 -0.327 2.540 1.00 0.20 H new ATOM 0 HG23 ILE A 12 1.653 -0.664 1.109 1.00 0.20 H new ATOM 0 HD11 ILE A 12 -0.456 2.915 0.210 1.00 0.25 H new ATOM 0 HD12 ILE A 12 0.586 3.259 1.612 1.00 0.25 H new ATOM 0 HD13 ILE A 12 1.179 2.218 0.296 1.00 0.25 H new ATOM 203 N VAL A 13 1.719 -0.865 5.036 1.00 0.16 N ATOM 204 CA VAL A 13 2.744 -1.634 5.732 1.00 0.16 C ATOM 205 C VAL A 13 2.127 -2.804 6.493 1.00 0.16 C ATOM 206 O VAL A 13 2.717 -3.880 6.570 1.00 0.18 O ATOM 207 CB VAL A 13 3.593 -0.767 6.691 1.00 0.15 C ATOM 208 CG1 VAL A 13 4.364 0.288 5.914 1.00 0.16 C ATOM 209 CG2 VAL A 13 2.734 -0.115 7.760 1.00 0.14 C ATOM 0 H VAL A 13 1.580 0.082 5.388 1.00 0.16 H new ATOM 0 HA VAL A 13 3.413 -2.019 4.963 1.00 0.16 H new ATOM 0 HB VAL A 13 4.304 -1.425 7.191 1.00 0.15 H new ATOM 0 HG11 VAL A 13 4.956 0.889 6.605 1.00 0.16 H new ATOM 0 HG12 VAL A 13 5.026 -0.199 5.198 1.00 0.16 H new ATOM 0 HG13 VAL A 13 3.664 0.932 5.381 1.00 0.16 H new ATOM 0 HG21 VAL A 13 3.363 0.486 8.416 1.00 0.14 H new ATOM 0 HG22 VAL A 13 1.988 0.524 7.288 1.00 0.14 H new ATOM 0 HG23 VAL A 13 2.233 -0.886 8.345 1.00 0.14 H new ATOM 219 N ASN A 14 0.928 -2.593 7.033 1.00 0.18 N ATOM 220 CA ASN A 14 0.199 -3.655 7.722 1.00 0.21 C ATOM 221 C ASN A 14 -0.046 -4.826 6.779 1.00 0.19 C ATOM 222 O ASN A 14 0.025 -5.991 7.176 1.00 0.20 O ATOM 223 CB ASN A 14 -1.143 -3.140 8.247 1.00 0.30 C ATOM 224 CG ASN A 14 -1.828 -4.135 9.166 1.00 0.42 C ATOM 225 OD1 ASN A 14 -1.178 -4.835 9.941 1.00 0.45 O ATOM 226 ND2 ASN A 14 -3.144 -4.228 9.063 1.00 0.57 N ATOM 0 H ASN A 14 0.441 -1.697 7.007 1.00 0.18 H new ATOM 0 HA ASN A 14 0.806 -3.987 8.564 1.00 0.21 H new ATOM 0 HB2 ASN A 14 -0.985 -2.204 8.783 1.00 0.30 H new ATOM 0 HB3 ASN A 14 -1.798 -2.918 7.405 1.00 0.30 H new ATOM 0 HD21 ASN A 14 -3.655 -4.898 9.638 1.00 0.57 H new ATOM 0 HD22 ASN A 14 -3.648 -3.630 8.408 1.00 0.57 H new ATOM 233 N TYR A 15 -0.318 -4.505 5.520 1.00 0.22 N ATOM 234 CA TYR A 15 -0.568 -5.521 4.510 1.00 0.24 C ATOM 235 C TYR A 15 0.672 -6.383 4.297 1.00 0.22 C ATOM 236 O TYR A 15 0.600 -7.608 4.364 1.00 0.23 O ATOM 237 CB TYR A 15 -0.998 -4.888 3.185 1.00 0.30 C ATOM 238 CG TYR A 15 -1.322 -5.912 2.122 1.00 0.39 C ATOM 239 CD1 TYR A 15 -2.482 -6.667 2.203 1.00 1.30 C ATOM 240 CD2 TYR A 15 -0.465 -6.139 1.052 1.00 1.19 C ATOM 241 CE1 TYR A 15 -2.785 -7.615 1.251 1.00 1.40 C ATOM 242 CE2 TYR A 15 -0.760 -7.090 0.095 1.00 1.21 C ATOM 243 CZ TYR A 15 -1.924 -7.823 0.200 1.00 0.65 C ATOM 244 OH TYR A 15 -2.222 -8.773 -0.742 1.00 0.80 O ATOM 0 H TYR A 15 -0.371 -3.546 5.175 1.00 0.22 H new ATOM 0 HA TYR A 15 -1.381 -6.153 4.869 1.00 0.24 H new ATOM 0 HB2 TYR A 15 -1.872 -4.259 3.355 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -0.202 -4.236 2.824 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -3.161 -6.509 3.028 1.00 1.30 H new ATOM 0 HD2 TYR A 15 0.445 -5.563 0.968 1.00 1.19 H new ATOM 0 HE1 TYR A 15 -3.695 -8.192 1.330 1.00 1.40 H new ATOM 0 HE2 TYR A 15 -0.084 -7.259 -0.730 1.00 1.21 H new ATOM 0 HH TYR A 15 -1.600 -9.526 -0.656 1.00 0.80 H new ATOM 254 N PHE A 16 1.809 -5.739 4.056 1.00 0.20 N ATOM 255 CA PHE A 16 3.054 -6.467 3.829 1.00 0.21 C ATOM 256 C PHE A 16 3.463 -7.236 5.077 1.00 0.20 C ATOM 257 O PHE A 16 3.996 -8.343 4.983 1.00 0.20 O ATOM 258 CB PHE A 16 4.179 -5.525 3.399 1.00 0.20 C ATOM 259 CG PHE A 16 3.938 -4.847 2.077 1.00 0.20 C ATOM 260 CD1 PHE A 16 3.539 -5.579 0.966 1.00 1.04 C ATOM 261 CD2 PHE A 16 4.106 -3.478 1.944 1.00 0.91 C ATOM 262 CE1 PHE A 16 3.315 -4.957 -0.246 1.00 1.05 C ATOM 263 CE2 PHE A 16 3.882 -2.853 0.733 1.00 0.91 C ATOM 264 CZ PHE A 16 3.486 -3.594 -0.361 1.00 0.23 C ATOM 0 H PHE A 16 1.895 -4.724 4.013 1.00 0.20 H new ATOM 0 HA PHE A 16 2.877 -7.177 3.021 1.00 0.21 H new ATOM 0 HB2 PHE A 16 4.315 -4.763 4.167 1.00 0.20 H new ATOM 0 HB3 PHE A 16 5.110 -6.089 3.342 1.00 0.20 H new ATOM 0 HD1 PHE A 16 3.402 -6.647 1.051 1.00 1.04 H new ATOM 0 HD2 PHE A 16 4.416 -2.893 2.797 1.00 0.91 H new ATOM 0 HE1 PHE A 16 3.006 -5.537 -1.103 1.00 1.05 H new ATOM 0 HE2 PHE A 16 4.017 -1.785 0.643 1.00 0.91 H new ATOM 0 HZ PHE A 16 3.310 -3.106 -1.308 1.00 0.23 H new ATOM 274 N SER A 17 3.193 -6.657 6.242 1.00 0.19 N ATOM 275 CA SER A 17 3.468 -7.322 7.507 1.00 0.20 C ATOM 276 C SER A 17 2.668 -8.617 7.601 1.00 0.21 C ATOM 277 O SER A 17 3.144 -9.622 8.129 1.00 0.24 O ATOM 278 CB SER A 17 3.129 -6.400 8.684 1.00 0.21 C ATOM 279 OG SER A 17 3.882 -5.197 8.627 1.00 0.90 O ATOM 0 H SER A 17 2.783 -5.727 6.335 1.00 0.19 H new ATOM 0 HA SER A 17 4.531 -7.560 7.552 1.00 0.20 H new ATOM 0 HB2 SER A 17 2.064 -6.167 8.672 1.00 0.21 H new ATOM 0 HB3 SER A 17 3.332 -6.915 9.623 1.00 0.21 H new ATOM 0 HG SER A 17 4.418 -5.185 7.807 1.00 0.90 H new ATOM 285 N SER A 18 1.461 -8.590 7.055 1.00 0.24 N ATOM 286 CA SER A 18 0.593 -9.752 7.047 1.00 0.25 C ATOM 287 C SER A 18 1.077 -10.790 6.033 1.00 0.25 C ATOM 288 O SER A 18 1.079 -11.988 6.312 1.00 0.29 O ATOM 289 CB SER A 18 -0.839 -9.322 6.721 1.00 0.26 C ATOM 290 OG SER A 18 -1.312 -8.367 7.659 1.00 0.84 O ATOM 0 H SER A 18 1.060 -7.765 6.608 1.00 0.24 H new ATOM 0 HA SER A 18 0.617 -10.210 8.036 1.00 0.25 H new ATOM 0 HB2 SER A 18 -0.875 -8.899 5.717 1.00 0.26 H new ATOM 0 HB3 SER A 18 -1.493 -10.194 6.724 1.00 0.26 H new ATOM 0 HG SER A 18 -0.915 -7.493 7.464 1.00 0.84 H new ATOM 296 N ILE A 19 1.506 -10.321 4.863 1.00 0.23 N ATOM 297 CA ILE A 19 1.969 -11.213 3.802 1.00 0.24 C ATOM 298 C ILE A 19 3.206 -11.992 4.240 1.00 0.25 C ATOM 299 O ILE A 19 3.299 -13.201 4.018 1.00 0.28 O ATOM 300 CB ILE A 19 2.280 -10.439 2.496 1.00 0.24 C ATOM 301 CG1 ILE A 19 1.028 -9.712 1.994 1.00 0.25 C ATOM 302 CG2 ILE A 19 2.816 -11.378 1.419 1.00 0.27 C ATOM 303 CD1 ILE A 19 -0.135 -10.634 1.684 1.00 0.28 C ATOM 0 H ILE A 19 1.543 -9.330 4.626 1.00 0.23 H new ATOM 0 HA ILE A 19 1.158 -11.913 3.603 1.00 0.24 H new ATOM 0 HB ILE A 19 3.050 -9.699 2.716 1.00 0.24 H new ATOM 0 HG12 ILE A 19 0.714 -8.988 2.746 1.00 0.25 H new ATOM 0 HG13 ILE A 19 1.282 -9.149 1.096 1.00 0.25 H new ATOM 0 HG21 ILE A 19 3.026 -10.810 0.513 1.00 0.27 H new ATOM 0 HG22 ILE A 19 3.733 -11.851 1.772 1.00 0.27 H new ATOM 0 HG23 ILE A 19 2.072 -12.145 1.202 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -0.983 -10.045 1.335 1.00 0.28 H new ATOM 0 HD12 ILE A 19 0.159 -11.342 0.909 1.00 0.28 H new ATOM 0 HD13 ILE A 19 -0.418 -11.178 2.585 1.00 0.28 H new ATOM 315 N VAL A 20 4.150 -11.305 4.876 1.00 0.25 N ATOM 316 CA VAL A 20 5.371 -11.950 5.334 1.00 0.28 C ATOM 317 C VAL A 20 5.103 -12.817 6.565 1.00 0.33 C ATOM 318 O VAL A 20 5.755 -13.842 6.762 1.00 0.34 O ATOM 319 CB VAL A 20 6.491 -10.927 5.633 1.00 0.29 C ATOM 320 CG1 VAL A 20 6.798 -10.099 4.394 1.00 0.26 C ATOM 321 CG2 VAL A 20 6.128 -10.024 6.802 1.00 0.30 C ATOM 0 H VAL A 20 4.092 -10.308 5.084 1.00 0.25 H new ATOM 0 HA VAL A 20 5.716 -12.590 4.522 1.00 0.28 H new ATOM 0 HB VAL A 20 7.384 -11.486 5.914 1.00 0.29 H new ATOM 0 HG11 VAL A 20 7.588 -9.384 4.621 1.00 0.26 H new ATOM 0 HG12 VAL A 20 7.124 -10.757 3.588 1.00 0.26 H new ATOM 0 HG13 VAL A 20 5.901 -9.563 4.084 1.00 0.26 H new ATOM 0 HG21 VAL A 20 6.939 -9.319 6.982 1.00 0.30 H new ATOM 0 HG22 VAL A 20 5.215 -9.476 6.569 1.00 0.30 H new ATOM 0 HG23 VAL A 20 5.969 -10.630 7.694 1.00 0.30 H new ATOM 331 N GLU A 21 4.136 -12.399 7.383 1.00 0.39 N ATOM 332 CA GLU A 21 3.703 -13.182 8.538 1.00 0.49 C ATOM 333 C GLU A 21 3.215 -14.560 8.101 1.00 0.48 C ATOM 334 O GLU A 21 3.645 -15.588 8.626 1.00 0.51 O ATOM 335 CB GLU A 21 2.567 -12.461 9.272 1.00 0.59 C ATOM 336 CG GLU A 21 1.999 -13.251 10.437 1.00 1.23 C ATOM 337 CD GLU A 21 0.597 -12.819 10.809 1.00 1.83 C ATOM 338 OE1 GLU A 21 -0.359 -13.261 10.136 1.00 2.49 O ATOM 339 OE2 GLU A 21 0.436 -12.061 11.786 1.00 2.39 O ATOM 0 H GLU A 21 3.636 -11.518 7.265 1.00 0.39 H new ATOM 0 HA GLU A 21 4.557 -13.297 9.206 1.00 0.49 H new ATOM 0 HB2 GLU A 21 2.933 -11.502 9.638 1.00 0.59 H new ATOM 0 HB3 GLU A 21 1.766 -12.247 8.564 1.00 0.59 H new ATOM 0 HG2 GLU A 21 1.992 -14.311 10.183 1.00 1.23 H new ATOM 0 HG3 GLU A 21 2.652 -13.135 11.302 1.00 1.23 H new ATOM 346 N LYS A 22 2.321 -14.563 7.125 1.00 0.46 N ATOM 347 CA LYS A 22 1.681 -15.789 6.672 1.00 0.49 C ATOM 348 C LYS A 22 2.526 -16.486 5.613 1.00 0.42 C ATOM 349 O LYS A 22 2.194 -17.575 5.145 1.00 0.44 O ATOM 350 CB LYS A 22 0.288 -15.470 6.126 1.00 0.57 C ATOM 351 CG LYS A 22 -0.513 -14.562 7.048 1.00 0.67 C ATOM 352 CD LYS A 22 -1.868 -14.202 6.465 1.00 0.80 C ATOM 353 CE LYS A 22 -2.512 -13.052 7.230 1.00 0.72 C ATOM 354 NZ LYS A 22 -2.600 -13.315 8.693 1.00 1.42 N ATOM 0 H LYS A 22 2.020 -13.724 6.628 1.00 0.46 H new ATOM 0 HA LYS A 22 1.585 -16.468 7.519 1.00 0.49 H new ATOM 0 HB2 LYS A 22 0.385 -14.994 5.150 1.00 0.57 H new ATOM 0 HB3 LYS A 22 -0.260 -16.400 5.974 1.00 0.57 H new ATOM 0 HG2 LYS A 22 -0.653 -15.056 8.009 1.00 0.67 H new ATOM 0 HG3 LYS A 22 0.053 -13.650 7.238 1.00 0.67 H new ATOM 0 HD2 LYS A 22 -1.753 -13.925 5.417 1.00 0.80 H new ATOM 0 HD3 LYS A 22 -2.522 -15.073 6.495 1.00 0.80 H new ATOM 0 HE2 LYS A 22 -1.936 -12.142 7.062 1.00 0.72 H new ATOM 0 HE3 LYS A 22 -3.512 -12.874 6.836 1.00 0.72 H new ATOM 0 HZ1 LYS A 22 -3.135 -12.550 9.152 1.00 1.42 H new ATOM 0 HZ2 LYS A 22 -3.084 -14.221 8.854 1.00 1.42 H new ATOM 0 HZ3 LYS A 22 -1.642 -13.357 9.096 1.00 1.42 H new ATOM 368 N LYS A 23 3.632 -15.825 5.258 1.00 0.36 N ATOM 369 CA LYS A 23 4.601 -16.332 4.287 1.00 0.32 C ATOM 370 C LYS A 23 3.944 -16.727 2.971 1.00 0.36 C ATOM 371 O LYS A 23 4.249 -17.772 2.400 1.00 0.41 O ATOM 372 CB LYS A 23 5.392 -17.504 4.870 1.00 0.36 C ATOM 373 CG LYS A 23 6.346 -17.087 5.976 1.00 0.42 C ATOM 374 CD LYS A 23 7.158 -18.260 6.491 1.00 0.57 C ATOM 375 CE LYS A 23 8.172 -17.815 7.531 1.00 1.21 C ATOM 376 NZ LYS A 23 8.939 -18.962 8.084 1.00 1.79 N ATOM 0 H LYS A 23 3.881 -14.913 5.642 1.00 0.36 H new ATOM 0 HA LYS A 23 5.293 -15.518 4.070 1.00 0.32 H new ATOM 0 HB2 LYS A 23 4.696 -18.247 5.260 1.00 0.36 H new ATOM 0 HB3 LYS A 23 5.958 -17.985 4.072 1.00 0.36 H new ATOM 0 HG2 LYS A 23 7.019 -16.315 5.604 1.00 0.42 H new ATOM 0 HG3 LYS A 23 5.780 -16.648 6.798 1.00 0.42 H new ATOM 0 HD2 LYS A 23 6.491 -19.004 6.926 1.00 0.57 H new ATOM 0 HD3 LYS A 23 7.674 -18.741 5.660 1.00 0.57 H new ATOM 0 HE2 LYS A 23 8.862 -17.100 7.083 1.00 1.21 H new ATOM 0 HE3 LYS A 23 7.658 -17.298 8.341 1.00 1.21 H new ATOM 0 HZ1 LYS A 23 9.620 -18.616 8.790 1.00 1.79 H new ATOM 0 HZ2 LYS A 23 8.284 -19.633 8.534 1.00 1.79 H new ATOM 0 HZ3 LYS A 23 9.450 -19.441 7.315 1.00 1.79 H new ATOM 390 N GLU A 24 3.060 -15.868 2.479 1.00 0.37 N ATOM 391 CA GLU A 24 2.403 -16.108 1.202 1.00 0.46 C ATOM 392 C GLU A 24 3.270 -15.608 0.051 1.00 0.40 C ATOM 393 O GLU A 24 2.840 -15.567 -1.102 1.00 0.43 O ATOM 394 CB GLU A 24 1.028 -15.441 1.163 1.00 0.57 C ATOM 395 CG GLU A 24 0.037 -16.052 2.138 1.00 0.84 C ATOM 396 CD GLU A 24 -1.383 -15.590 1.898 1.00 1.08 C ATOM 397 OE1 GLU A 24 -1.922 -15.874 0.804 1.00 1.65 O ATOM 398 OE2 GLU A 24 -1.969 -14.963 2.803 1.00 1.83 O ATOM 0 H GLU A 24 2.783 -15.003 2.943 1.00 0.37 H new ATOM 0 HA GLU A 24 2.264 -17.183 1.090 1.00 0.46 H new ATOM 0 HB2 GLU A 24 1.140 -14.380 1.386 1.00 0.57 H new ATOM 0 HB3 GLU A 24 0.625 -15.513 0.153 1.00 0.57 H new ATOM 0 HG2 GLU A 24 0.079 -17.138 2.059 1.00 0.84 H new ATOM 0 HG3 GLU A 24 0.331 -15.795 3.156 1.00 0.84 H new ATOM 405 N ILE A 25 4.496 -15.237 0.376 1.00 0.36 N ATOM 406 CA ILE A 25 5.455 -14.785 -0.612 1.00 0.33 C ATOM 407 C ILE A 25 6.803 -15.445 -0.343 1.00 0.33 C ATOM 408 O ILE A 25 7.095 -15.821 0.797 1.00 0.34 O ATOM 409 CB ILE A 25 5.607 -13.241 -0.583 1.00 0.29 C ATOM 410 CG1 ILE A 25 6.505 -12.766 -1.734 1.00 0.30 C ATOM 411 CG2 ILE A 25 6.165 -12.782 0.761 1.00 0.27 C ATOM 412 CD1 ILE A 25 6.678 -11.263 -1.799 1.00 0.28 C ATOM 0 H ILE A 25 4.853 -15.241 1.332 1.00 0.36 H new ATOM 0 HA ILE A 25 5.094 -15.067 -1.601 1.00 0.33 H new ATOM 0 HB ILE A 25 4.621 -12.796 -0.713 1.00 0.29 H new ATOM 0 HG12 ILE A 25 7.486 -13.230 -1.632 1.00 0.30 H new ATOM 0 HG13 ILE A 25 6.084 -13.114 -2.677 1.00 0.30 H new ATOM 0 HG21 ILE A 25 6.264 -11.697 0.762 1.00 0.27 H new ATOM 0 HG22 ILE A 25 5.487 -13.085 1.559 1.00 0.27 H new ATOM 0 HG23 ILE A 25 7.143 -13.236 0.923 1.00 0.27 H new ATOM 0 HD11 ILE A 25 7.325 -11.007 -2.638 1.00 0.28 H new ATOM 0 HD12 ILE A 25 5.705 -10.790 -1.934 1.00 0.28 H new ATOM 0 HD13 ILE A 25 7.128 -10.908 -0.872 1.00 0.28 H new ATOM 424 N SER A 26 7.590 -15.636 -1.393 1.00 0.35 N ATOM 425 CA SER A 26 8.943 -16.156 -1.264 1.00 0.38 C ATOM 426 C SER A 26 9.743 -15.305 -0.277 1.00 0.34 C ATOM 427 O SER A 26 9.624 -14.079 -0.260 1.00 0.31 O ATOM 428 CB SER A 26 9.614 -16.162 -2.635 1.00 0.46 C ATOM 429 OG SER A 26 8.800 -16.826 -3.591 1.00 1.45 O ATOM 0 H SER A 26 7.310 -15.436 -2.353 1.00 0.35 H new ATOM 0 HA SER A 26 8.906 -17.176 -0.881 1.00 0.38 H new ATOM 0 HB2 SER A 26 9.801 -15.138 -2.958 1.00 0.46 H new ATOM 0 HB3 SER A 26 10.583 -16.657 -2.569 1.00 0.46 H new ATOM 0 HG SER A 26 9.247 -16.818 -4.463 1.00 1.45 H new ATOM 435 N GLU A 27 10.558 -15.972 0.541 1.00 0.40 N ATOM 436 CA GLU A 27 11.238 -15.331 1.665 1.00 0.45 C ATOM 437 C GLU A 27 12.205 -14.243 1.204 1.00 0.40 C ATOM 438 O GLU A 27 12.479 -13.296 1.944 1.00 0.44 O ATOM 439 CB GLU A 27 11.976 -16.372 2.514 1.00 0.69 C ATOM 440 CG GLU A 27 12.973 -17.210 1.732 1.00 0.75 C ATOM 441 CD GLU A 27 13.755 -18.157 2.615 1.00 1.21 C ATOM 442 OE1 GLU A 27 14.818 -17.754 3.129 1.00 1.71 O ATOM 443 OE2 GLU A 27 13.313 -19.309 2.797 1.00 1.87 O ATOM 0 H GLU A 27 10.764 -16.966 0.443 1.00 0.40 H new ATOM 0 HA GLU A 27 10.471 -14.853 2.275 1.00 0.45 H new ATOM 0 HB2 GLU A 27 12.500 -15.862 3.322 1.00 0.69 H new ATOM 0 HB3 GLU A 27 11.244 -17.034 2.977 1.00 0.69 H new ATOM 0 HG2 GLU A 27 12.443 -17.783 0.971 1.00 0.75 H new ATOM 0 HG3 GLU A 27 13.666 -16.550 1.210 1.00 0.75 H new ATOM 450 N ASP A 28 12.725 -14.382 -0.009 1.00 0.39 N ATOM 451 CA ASP A 28 13.574 -13.353 -0.597 1.00 0.39 C ATOM 452 C ASP A 28 12.754 -12.092 -0.835 1.00 0.35 C ATOM 453 O ASP A 28 13.168 -10.983 -0.486 1.00 0.38 O ATOM 454 CB ASP A 28 14.178 -13.840 -1.915 1.00 0.46 C ATOM 455 CG ASP A 28 15.151 -12.844 -2.514 1.00 1.01 C ATOM 456 OD1 ASP A 28 14.709 -11.921 -3.230 1.00 1.63 O ATOM 457 OD2 ASP A 28 16.368 -12.981 -2.271 1.00 1.85 O ATOM 0 H ASP A 28 12.574 -15.196 -0.605 1.00 0.39 H new ATOM 0 HA ASP A 28 14.389 -13.133 0.093 1.00 0.39 H new ATOM 0 HB2 ASP A 28 14.691 -14.787 -1.747 1.00 0.46 H new ATOM 0 HB3 ASP A 28 13.377 -14.033 -2.628 1.00 0.46 H new ATOM 462 N GLY A 29 11.575 -12.282 -1.414 1.00 0.31 N ATOM 463 CA GLY A 29 10.663 -11.179 -1.635 1.00 0.30 C ATOM 464 C GLY A 29 10.129 -10.622 -0.334 1.00 0.26 C ATOM 465 O GLY A 29 9.899 -9.420 -0.217 1.00 0.24 O ATOM 0 H GLY A 29 11.233 -13.188 -1.736 1.00 0.31 H new ATOM 0 HA2 GLY A 29 11.174 -10.389 -2.186 1.00 0.30 H new ATOM 0 HA3 GLY A 29 9.832 -11.514 -2.256 1.00 0.30 H new ATOM 469 N ALA A 30 9.925 -11.500 0.645 1.00 0.24 N ATOM 470 CA ALA A 30 9.502 -11.087 1.976 1.00 0.23 C ATOM 471 C ALA A 30 10.484 -10.088 2.575 1.00 0.22 C ATOM 472 O ALA A 30 10.081 -9.069 3.134 1.00 0.21 O ATOM 473 CB ALA A 30 9.360 -12.299 2.886 1.00 0.24 C ATOM 0 H ALA A 30 10.047 -12.507 0.538 1.00 0.24 H new ATOM 0 HA ALA A 30 8.532 -10.598 1.887 1.00 0.23 H new ATOM 0 HB1 ALA A 30 9.043 -11.975 3.877 1.00 0.24 H new ATOM 0 HB2 ALA A 30 8.616 -12.980 2.472 1.00 0.24 H new ATOM 0 HB3 ALA A 30 10.319 -12.812 2.961 1.00 0.24 H new ATOM 479 N ASP A 31 11.773 -10.377 2.446 1.00 0.24 N ATOM 480 CA ASP A 31 12.811 -9.466 2.918 1.00 0.25 C ATOM 481 C ASP A 31 12.729 -8.139 2.175 1.00 0.23 C ATOM 482 O ASP A 31 12.918 -7.070 2.760 1.00 0.22 O ATOM 483 CB ASP A 31 14.196 -10.082 2.727 1.00 0.30 C ATOM 484 CG ASP A 31 15.310 -9.133 3.118 1.00 0.77 C ATOM 485 OD1 ASP A 31 15.596 -9.019 4.328 1.00 1.46 O ATOM 486 OD2 ASP A 31 15.907 -8.499 2.223 1.00 1.34 O ATOM 0 H ASP A 31 12.125 -11.234 2.019 1.00 0.24 H new ATOM 0 HA ASP A 31 12.650 -9.289 3.981 1.00 0.25 H new ATOM 0 HB2 ASP A 31 14.271 -10.991 3.323 1.00 0.30 H new ATOM 0 HB3 ASP A 31 14.320 -10.373 1.684 1.00 0.30 H new ATOM 491 N SER A 32 12.416 -8.216 0.890 1.00 0.24 N ATOM 492 CA SER A 32 12.274 -7.031 0.062 1.00 0.23 C ATOM 493 C SER A 32 11.081 -6.195 0.533 1.00 0.20 C ATOM 494 O SER A 32 11.098 -4.968 0.461 1.00 0.22 O ATOM 495 CB SER A 32 12.108 -7.438 -1.405 1.00 0.25 C ATOM 496 OG SER A 32 12.297 -6.336 -2.277 1.00 0.92 O ATOM 0 H SER A 32 12.255 -9.094 0.397 1.00 0.24 H new ATOM 0 HA SER A 32 13.173 -6.421 0.153 1.00 0.23 H new ATOM 0 HB2 SER A 32 12.824 -8.223 -1.649 1.00 0.25 H new ATOM 0 HB3 SER A 32 11.113 -7.856 -1.557 1.00 0.25 H new ATOM 0 HG SER A 32 11.426 -6.008 -2.583 1.00 0.92 H new ATOM 502 N LEU A 33 10.048 -6.868 1.032 1.00 0.17 N ATOM 503 CA LEU A 33 8.894 -6.181 1.595 1.00 0.15 C ATOM 504 C LEU A 33 9.243 -5.574 2.946 1.00 0.14 C ATOM 505 O LEU A 33 8.754 -4.502 3.303 1.00 0.13 O ATOM 506 CB LEU A 33 7.711 -7.140 1.746 1.00 0.16 C ATOM 507 CG LEU A 33 7.175 -7.727 0.441 1.00 0.18 C ATOM 508 CD1 LEU A 33 6.023 -8.678 0.726 1.00 0.21 C ATOM 509 CD2 LEU A 33 6.738 -6.618 -0.504 1.00 0.19 C ATOM 0 H LEU A 33 9.988 -7.886 1.057 1.00 0.17 H new ATOM 0 HA LEU A 33 8.610 -5.382 0.910 1.00 0.15 H new ATOM 0 HB2 LEU A 33 8.011 -7.960 2.398 1.00 0.16 H new ATOM 0 HB3 LEU A 33 6.900 -6.613 2.249 1.00 0.16 H new ATOM 0 HG LEU A 33 7.974 -8.289 -0.043 1.00 0.18 H new ATOM 0 HD11 LEU A 33 5.650 -9.089 -0.212 1.00 0.21 H new ATOM 0 HD12 LEU A 33 6.371 -9.489 1.365 1.00 0.21 H new ATOM 0 HD13 LEU A 33 5.221 -8.138 1.229 1.00 0.21 H new ATOM 0 HD21 LEU A 33 6.359 -7.055 -1.428 1.00 0.19 H new ATOM 0 HD22 LEU A 33 5.952 -6.027 -0.033 1.00 0.19 H new ATOM 0 HD23 LEU A 33 7.589 -5.975 -0.729 1.00 0.19 H new ATOM 521 N ASN A 34 10.100 -6.263 3.690 1.00 0.15 N ATOM 522 CA ASN A 34 10.556 -5.775 4.986 1.00 0.16 C ATOM 523 C ASN A 34 11.267 -4.439 4.840 1.00 0.16 C ATOM 524 O ASN A 34 10.922 -3.470 5.520 1.00 0.16 O ATOM 525 CB ASN A 34 11.481 -6.788 5.664 1.00 0.18 C ATOM 526 CG ASN A 34 10.728 -7.819 6.486 1.00 0.18 C ATOM 527 OD1 ASN A 34 10.455 -7.605 7.666 1.00 0.19 O ATOM 528 ND2 ASN A 34 10.389 -8.945 5.878 1.00 0.21 N ATOM 0 H ASN A 34 10.494 -7.163 3.417 1.00 0.15 H new ATOM 0 HA ASN A 34 9.676 -5.638 5.614 1.00 0.16 H new ATOM 0 HB2 ASN A 34 12.072 -7.298 4.903 1.00 0.18 H new ATOM 0 HB3 ASN A 34 12.181 -6.258 6.309 1.00 0.18 H new ATOM 0 HD21 ASN A 34 9.885 -9.669 6.390 1.00 0.21 H new ATOM 0 HD22 ASN A 34 10.632 -9.088 4.898 1.00 0.21 H new ATOM 535 N VAL A 35 12.239 -4.375 3.936 1.00 0.17 N ATOM 536 CA VAL A 35 12.987 -3.144 3.716 1.00 0.19 C ATOM 537 C VAL A 35 12.097 -2.075 3.088 1.00 0.18 C ATOM 538 O VAL A 35 12.306 -0.880 3.296 1.00 0.20 O ATOM 539 CB VAL A 35 14.236 -3.371 2.832 1.00 0.22 C ATOM 540 CG1 VAL A 35 15.176 -4.368 3.482 1.00 0.25 C ATOM 541 CG2 VAL A 35 13.848 -3.841 1.440 1.00 0.22 C ATOM 0 H VAL A 35 12.526 -5.157 3.347 1.00 0.17 H new ATOM 0 HA VAL A 35 13.327 -2.802 4.694 1.00 0.19 H new ATOM 0 HB VAL A 35 14.752 -2.416 2.734 1.00 0.22 H new ATOM 0 HG11 VAL A 35 16.048 -4.514 2.845 1.00 0.25 H new ATOM 0 HG12 VAL A 35 15.495 -3.988 4.453 1.00 0.25 H new ATOM 0 HG13 VAL A 35 14.661 -5.319 3.616 1.00 0.25 H new ATOM 0 HG21 VAL A 35 14.747 -3.992 0.843 1.00 0.22 H new ATOM 0 HG22 VAL A 35 13.299 -4.780 1.513 1.00 0.22 H new ATOM 0 HG23 VAL A 35 13.219 -3.089 0.964 1.00 0.22 H new ATOM 551 N ALA A 36 11.094 -2.514 2.329 1.00 0.16 N ATOM 552 CA ALA A 36 10.125 -1.600 1.741 1.00 0.16 C ATOM 553 C ALA A 36 9.348 -0.879 2.833 1.00 0.15 C ATOM 554 O ALA A 36 9.238 0.346 2.821 1.00 0.15 O ATOM 555 CB ALA A 36 9.171 -2.347 0.819 1.00 0.18 C ATOM 0 H ALA A 36 10.934 -3.497 2.109 1.00 0.16 H new ATOM 0 HA ALA A 36 10.666 -0.861 1.150 1.00 0.16 H new ATOM 0 HB1 ALA A 36 8.455 -1.645 0.390 1.00 0.18 H new ATOM 0 HB2 ALA A 36 9.737 -2.823 0.018 1.00 0.18 H new ATOM 0 HB3 ALA A 36 8.637 -3.108 1.388 1.00 0.18 H new ATOM 561 N MET A 37 8.825 -1.649 3.787 1.00 0.14 N ATOM 562 CA MET A 37 8.075 -1.097 4.902 1.00 0.14 C ATOM 563 C MET A 37 8.910 -0.110 5.707 1.00 0.15 C ATOM 564 O MET A 37 8.396 0.907 6.168 1.00 0.18 O ATOM 565 CB MET A 37 7.575 -2.219 5.810 1.00 0.16 C ATOM 566 CG MET A 37 6.482 -3.068 5.182 1.00 0.16 C ATOM 567 SD MET A 37 5.837 -4.325 6.302 1.00 0.21 S ATOM 568 CE MET A 37 7.274 -5.370 6.523 1.00 0.19 C ATOM 0 H MET A 37 8.911 -2.665 3.804 1.00 0.14 H new ATOM 0 HA MET A 37 7.222 -0.557 4.491 1.00 0.14 H new ATOM 0 HB2 MET A 37 8.415 -2.861 6.076 1.00 0.16 H new ATOM 0 HB3 MET A 37 7.199 -1.785 6.737 1.00 0.16 H new ATOM 0 HG2 MET A 37 5.665 -2.421 4.862 1.00 0.16 H new ATOM 0 HG3 MET A 37 6.874 -3.552 4.288 1.00 0.16 H new ATOM 0 HE1 MET A 37 7.016 -6.212 7.165 1.00 0.19 H new ATOM 0 HE2 MET A 37 7.607 -5.741 5.554 1.00 0.19 H new ATOM 0 HE3 MET A 37 8.075 -4.794 6.985 1.00 0.19 H new ATOM 578 N ASP A 38 10.197 -0.409 5.866 1.00 0.17 N ATOM 579 CA ASP A 38 11.104 0.482 6.586 1.00 0.23 C ATOM 580 C ASP A 38 11.225 1.825 5.881 1.00 0.19 C ATOM 581 O ASP A 38 11.221 2.876 6.521 1.00 0.22 O ATOM 582 CB ASP A 38 12.489 -0.150 6.742 1.00 0.33 C ATOM 583 CG ASP A 38 12.643 -0.892 8.053 1.00 0.89 C ATOM 584 OD1 ASP A 38 12.802 -0.224 9.098 1.00 1.41 O ATOM 585 OD2 ASP A 38 12.605 -2.138 8.050 1.00 1.68 O ATOM 0 H ASP A 38 10.634 -1.258 5.508 1.00 0.17 H new ATOM 0 HA ASP A 38 10.682 0.645 7.578 1.00 0.23 H new ATOM 0 HB2 ASP A 38 12.666 -0.838 5.916 1.00 0.33 H new ATOM 0 HB3 ASP A 38 13.249 0.628 6.677 1.00 0.33 H new ATOM 590 N CYS A 39 11.315 1.788 4.559 1.00 0.17 N ATOM 591 CA CYS A 39 11.406 3.008 3.769 1.00 0.18 C ATOM 592 C CYS A 39 10.105 3.803 3.865 1.00 0.16 C ATOM 593 O CYS A 39 10.113 5.036 3.877 1.00 0.19 O ATOM 594 CB CYS A 39 11.714 2.669 2.311 1.00 0.20 C ATOM 595 SG CYS A 39 13.227 1.709 2.080 1.00 0.26 S ATOM 0 H CYS A 39 11.327 0.928 4.011 1.00 0.17 H new ATOM 0 HA CYS A 39 12.216 3.621 4.165 1.00 0.18 H new ATOM 0 HB2 CYS A 39 10.875 2.111 1.894 1.00 0.20 H new ATOM 0 HB3 CYS A 39 11.794 3.596 1.743 1.00 0.20 H new ATOM 0 HG CYS A 39 13.049 0.503 2.533 1.00 0.26 H new ATOM 601 N ILE A 40 8.990 3.088 3.950 1.00 0.13 N ATOM 602 CA ILE A 40 7.683 3.719 4.067 1.00 0.13 C ATOM 603 C ILE A 40 7.531 4.398 5.426 1.00 0.15 C ATOM 604 O ILE A 40 7.112 5.556 5.512 1.00 0.16 O ATOM 605 CB ILE A 40 6.545 2.692 3.874 1.00 0.13 C ATOM 606 CG1 ILE A 40 6.655 2.026 2.499 1.00 0.14 C ATOM 607 CG2 ILE A 40 5.188 3.363 4.031 1.00 0.16 C ATOM 608 CD1 ILE A 40 5.684 0.883 2.289 1.00 0.16 C ATOM 0 H ILE A 40 8.966 2.068 3.940 1.00 0.13 H new ATOM 0 HA ILE A 40 7.612 4.470 3.280 1.00 0.13 H new ATOM 0 HB ILE A 40 6.640 1.924 4.641 1.00 0.13 H new ATOM 0 HG12 ILE A 40 6.487 2.778 1.728 1.00 0.14 H new ATOM 0 HG13 ILE A 40 7.671 1.655 2.367 1.00 0.14 H new ATOM 0 HG21 ILE A 40 4.399 2.624 3.892 1.00 0.16 H new ATOM 0 HG22 ILE A 40 5.109 3.795 5.029 1.00 0.16 H new ATOM 0 HG23 ILE A 40 5.083 4.151 3.285 1.00 0.16 H new ATOM 0 HD11 ILE A 40 5.825 0.465 1.292 1.00 0.16 H new ATOM 0 HD12 ILE A 40 5.865 0.110 3.036 1.00 0.16 H new ATOM 0 HD13 ILE A 40 4.663 1.251 2.387 1.00 0.16 H new ATOM 620 N SER A 41 7.894 3.683 6.486 1.00 0.21 N ATOM 621 CA SER A 41 7.785 4.216 7.835 1.00 0.28 C ATOM 622 C SER A 41 8.731 5.396 8.035 1.00 0.30 C ATOM 623 O SER A 41 8.386 6.369 8.702 1.00 0.34 O ATOM 624 CB SER A 41 8.055 3.118 8.866 1.00 0.37 C ATOM 625 OG SER A 41 9.218 2.373 8.546 1.00 1.13 O ATOM 0 H SER A 41 8.265 2.734 6.435 1.00 0.21 H new ATOM 0 HA SER A 41 6.767 4.579 7.978 1.00 0.28 H new ATOM 0 HB2 SER A 41 8.170 3.566 9.853 1.00 0.37 H new ATOM 0 HB3 SER A 41 7.197 2.448 8.918 1.00 0.37 H new ATOM 0 HG SER A 41 9.708 2.824 7.827 1.00 1.13 H new ATOM 631 N GLU A 42 9.915 5.306 7.441 1.00 0.32 N ATOM 632 CA GLU A 42 10.894 6.385 7.503 1.00 0.37 C ATOM 633 C GLU A 42 10.346 7.654 6.848 1.00 0.31 C ATOM 634 O GLU A 42 10.578 8.766 7.329 1.00 0.44 O ATOM 635 CB GLU A 42 12.192 5.955 6.813 1.00 0.46 C ATOM 636 CG GLU A 42 13.321 6.966 6.935 1.00 0.59 C ATOM 637 CD GLU A 42 13.683 7.259 8.376 1.00 1.45 C ATOM 638 OE1 GLU A 42 14.231 6.364 9.053 1.00 2.00 O ATOM 639 OE2 GLU A 42 13.430 8.388 8.841 1.00 2.23 O ATOM 0 H GLU A 42 10.222 4.492 6.908 1.00 0.32 H new ATOM 0 HA GLU A 42 11.101 6.602 8.551 1.00 0.37 H new ATOM 0 HB2 GLU A 42 12.520 5.006 7.238 1.00 0.46 H new ATOM 0 HB3 GLU A 42 11.989 5.778 5.757 1.00 0.46 H new ATOM 0 HG2 GLU A 42 14.200 6.589 6.412 1.00 0.59 H new ATOM 0 HG3 GLU A 42 13.029 7.893 6.441 1.00 0.59 H new ATOM 646 N ALA A 43 9.603 7.476 5.763 1.00 0.18 N ATOM 647 CA ALA A 43 9.076 8.600 4.999 1.00 0.16 C ATOM 648 C ALA A 43 8.037 9.393 5.789 1.00 0.17 C ATOM 649 O ALA A 43 8.138 10.613 5.907 1.00 0.25 O ATOM 650 CB ALA A 43 8.478 8.111 3.689 1.00 0.19 C ATOM 0 H ALA A 43 9.351 6.560 5.391 1.00 0.18 H new ATOM 0 HA ALA A 43 9.909 9.271 4.788 1.00 0.16 H new ATOM 0 HB1 ALA A 43 8.088 8.960 3.128 1.00 0.19 H new ATOM 0 HB2 ALA A 43 9.248 7.611 3.102 1.00 0.19 H new ATOM 0 HB3 ALA A 43 7.669 7.411 3.897 1.00 0.19 H new ATOM 656 N PHE A 44 7.040 8.700 6.332 1.00 0.19 N ATOM 657 CA PHE A 44 5.934 9.375 7.007 1.00 0.26 C ATOM 658 C PHE A 44 6.157 9.479 8.517 1.00 0.30 C ATOM 659 O PHE A 44 5.387 10.129 9.227 1.00 0.35 O ATOM 660 CB PHE A 44 4.611 8.663 6.714 1.00 0.27 C ATOM 661 CG PHE A 44 4.281 8.595 5.251 1.00 0.27 C ATOM 662 CD1 PHE A 44 3.814 9.713 4.579 1.00 1.15 C ATOM 663 CD2 PHE A 44 4.438 7.413 4.547 1.00 1.10 C ATOM 664 CE1 PHE A 44 3.511 9.651 3.233 1.00 1.15 C ATOM 665 CE2 PHE A 44 4.135 7.347 3.203 1.00 1.13 C ATOM 666 CZ PHE A 44 3.671 8.468 2.545 1.00 0.31 C ATOM 0 H PHE A 44 6.974 7.682 6.319 1.00 0.19 H new ATOM 0 HA PHE A 44 5.889 10.390 6.613 1.00 0.26 H new ATOM 0 HB2 PHE A 44 4.655 7.651 7.116 1.00 0.27 H new ATOM 0 HB3 PHE A 44 3.806 9.179 7.237 1.00 0.27 H new ATOM 0 HD1 PHE A 44 3.686 10.643 5.113 1.00 1.15 H new ATOM 0 HD2 PHE A 44 4.802 6.533 5.056 1.00 1.10 H new ATOM 0 HE1 PHE A 44 3.149 10.530 2.720 1.00 1.15 H new ATOM 0 HE2 PHE A 44 4.261 6.419 2.666 1.00 1.13 H new ATOM 0 HZ PHE A 44 3.434 8.418 1.493 1.00 0.31 H new ATOM 676 N GLY A 45 7.209 8.826 8.997 1.00 0.29 N ATOM 677 CA GLY A 45 7.588 8.928 10.397 1.00 0.35 C ATOM 678 C GLY A 45 6.637 8.199 11.324 1.00 0.37 C ATOM 679 O GLY A 45 6.217 8.745 12.342 1.00 0.43 O ATOM 0 H GLY A 45 7.812 8.223 8.438 1.00 0.29 H new ATOM 0 HA2 GLY A 45 8.592 8.525 10.526 1.00 0.35 H new ATOM 0 HA3 GLY A 45 7.628 9.980 10.681 1.00 0.35 H new ATOM 683 N PHE A 46 6.306 6.964 10.989 1.00 0.36 N ATOM 684 CA PHE A 46 5.368 6.193 11.792 1.00 0.39 C ATOM 685 C PHE A 46 5.882 4.775 12.000 1.00 0.40 C ATOM 686 O PHE A 46 6.797 4.332 11.311 1.00 0.41 O ATOM 687 CB PHE A 46 3.983 6.167 11.130 1.00 0.37 C ATOM 688 CG PHE A 46 3.901 5.307 9.898 1.00 0.30 C ATOM 689 CD1 PHE A 46 4.493 5.707 8.714 1.00 1.17 C ATOM 690 CD2 PHE A 46 3.227 4.097 9.930 1.00 1.27 C ATOM 691 CE1 PHE A 46 4.417 4.917 7.584 1.00 1.18 C ATOM 692 CE2 PHE A 46 3.148 3.303 8.805 1.00 1.26 C ATOM 693 CZ PHE A 46 3.743 3.713 7.630 1.00 0.22 C ATOM 0 H PHE A 46 6.669 6.474 10.171 1.00 0.36 H new ATOM 0 HA PHE A 46 5.276 6.675 12.766 1.00 0.39 H new ATOM 0 HB2 PHE A 46 3.253 5.811 11.857 1.00 0.37 H new ATOM 0 HB3 PHE A 46 3.700 7.186 10.867 1.00 0.37 H new ATOM 0 HD1 PHE A 46 5.021 6.648 8.673 1.00 1.17 H new ATOM 0 HD2 PHE A 46 2.758 3.772 10.847 1.00 1.27 H new ATOM 0 HE1 PHE A 46 4.884 5.241 6.666 1.00 1.18 H new ATOM 0 HE2 PHE A 46 2.621 2.361 8.844 1.00 1.26 H new ATOM 0 HZ PHE A 46 3.682 3.093 6.748 1.00 0.22 H new ATOM 703 N GLU A 47 5.286 4.076 12.954 1.00 0.42 N ATOM 704 CA GLU A 47 5.669 2.705 13.264 1.00 0.44 C ATOM 705 C GLU A 47 4.722 1.731 12.577 1.00 0.40 C ATOM 706 O GLU A 47 3.540 2.025 12.399 1.00 0.39 O ATOM 707 CB GLU A 47 5.630 2.491 14.776 1.00 0.53 C ATOM 708 CG GLU A 47 6.583 3.393 15.539 1.00 0.59 C ATOM 709 CD GLU A 47 6.440 3.245 17.035 1.00 1.14 C ATOM 710 OE1 GLU A 47 7.045 2.315 17.608 1.00 1.56 O ATOM 711 OE2 GLU A 47 5.708 4.053 17.644 1.00 1.92 O ATOM 0 H GLU A 47 4.528 4.439 13.532 1.00 0.42 H new ATOM 0 HA GLU A 47 6.681 2.526 12.902 1.00 0.44 H new ATOM 0 HB2 GLU A 47 4.615 2.663 15.133 1.00 0.53 H new ATOM 0 HB3 GLU A 47 5.873 1.451 14.994 1.00 0.53 H new ATOM 0 HG2 GLU A 47 7.608 3.162 15.250 1.00 0.59 H new ATOM 0 HG3 GLU A 47 6.399 4.431 15.260 1.00 0.59 H new ATOM 718 N ARG A 48 5.229 0.553 12.224 1.00 0.41 N ATOM 719 CA ARG A 48 4.459 -0.400 11.435 1.00 0.40 C ATOM 720 C ARG A 48 3.498 -1.172 12.326 1.00 0.41 C ATOM 721 O ARG A 48 2.526 -1.751 11.854 1.00 0.43 O ATOM 722 CB ARG A 48 5.369 -1.384 10.689 1.00 0.44 C ATOM 723 CG ARG A 48 6.198 -0.754 9.579 1.00 0.61 C ATOM 724 CD ARG A 48 7.430 -0.046 10.117 1.00 0.91 C ATOM 725 NE ARG A 48 8.374 -0.980 10.730 1.00 1.18 N ATOM 726 CZ ARG A 48 9.695 -0.911 10.579 1.00 1.88 C ATOM 727 NH1 ARG A 48 10.241 0.071 9.870 1.00 2.57 N ATOM 728 NH2 ARG A 48 10.474 -1.820 11.153 1.00 2.20 N ATOM 0 H ARG A 48 6.167 0.237 12.472 1.00 0.41 H new ATOM 0 HA ARG A 48 3.895 0.170 10.697 1.00 0.40 H new ATOM 0 HB2 ARG A 48 6.042 -1.854 11.407 1.00 0.44 H new ATOM 0 HB3 ARG A 48 4.754 -2.177 10.262 1.00 0.44 H new ATOM 0 HG2 ARG A 48 6.504 -1.526 8.873 1.00 0.61 H new ATOM 0 HG3 ARG A 48 5.583 -0.042 9.027 1.00 0.61 H new ATOM 0 HD2 ARG A 48 7.924 0.489 9.306 1.00 0.91 H new ATOM 0 HD3 ARG A 48 7.128 0.699 10.853 1.00 0.91 H new ATOM 0 HE ARG A 48 7.997 -1.730 11.309 1.00 1.18 H new ATOM 0 HH11 ARG A 48 9.647 0.778 9.437 1.00 2.57 H new ATOM 0 HH12 ARG A 48 11.254 0.117 9.759 1.00 2.57 H new ATOM 0 HH21 ARG A 48 10.060 -2.569 11.708 1.00 2.20 H new ATOM 0 HH22 ARG A 48 11.486 -1.769 11.039 1.00 2.20 H new ATOM 742 N GLU A 49 3.791 -1.194 13.616 1.00 0.42 N ATOM 743 CA GLU A 49 2.952 -1.897 14.574 1.00 0.46 C ATOM 744 C GLU A 49 1.918 -0.956 15.180 1.00 0.42 C ATOM 745 O GLU A 49 1.017 -1.385 15.898 1.00 0.46 O ATOM 746 CB GLU A 49 3.811 -2.521 15.670 1.00 0.56 C ATOM 747 CG GLU A 49 4.820 -3.531 15.143 1.00 1.14 C ATOM 748 CD GLU A 49 5.604 -4.201 16.249 1.00 1.54 C ATOM 749 OE1 GLU A 49 5.149 -5.247 16.755 1.00 2.23 O ATOM 750 OE2 GLU A 49 6.681 -3.684 16.621 1.00 2.06 O ATOM 0 H GLU A 49 4.604 -0.733 14.025 1.00 0.42 H new ATOM 0 HA GLU A 49 2.422 -2.692 14.049 1.00 0.46 H new ATOM 0 HB2 GLU A 49 4.342 -1.730 16.200 1.00 0.56 H new ATOM 0 HB3 GLU A 49 3.162 -3.011 16.396 1.00 0.56 H new ATOM 0 HG2 GLU A 49 4.298 -4.291 14.561 1.00 1.14 H new ATOM 0 HG3 GLU A 49 5.511 -3.029 14.465 1.00 1.14 H new ATOM 757 N ALA A 50 2.045 0.328 14.871 1.00 0.40 N ATOM 758 CA ALA A 50 1.123 1.332 15.386 1.00 0.42 C ATOM 759 C ALA A 50 -0.024 1.555 14.411 1.00 0.37 C ATOM 760 O ALA A 50 -0.895 2.397 14.637 1.00 0.41 O ATOM 761 CB ALA A 50 1.859 2.636 15.649 1.00 0.48 C ATOM 0 H ALA A 50 2.778 0.699 14.266 1.00 0.40 H new ATOM 0 HA ALA A 50 0.707 0.971 16.327 1.00 0.42 H new ATOM 0 HB1 ALA A 50 1.159 3.378 16.033 1.00 0.48 H new ATOM 0 HB2 ALA A 50 2.648 2.467 16.382 1.00 0.48 H new ATOM 0 HB3 ALA A 50 2.299 2.999 14.720 1.00 0.48 H new ATOM 767 N VAL A 51 0.000 0.798 13.317 1.00 0.33 N ATOM 768 CA VAL A 51 -1.024 0.887 12.276 1.00 0.31 C ATOM 769 C VAL A 51 -2.441 0.796 12.833 1.00 0.36 C ATOM 770 O VAL A 51 -3.336 1.470 12.341 1.00 0.41 O ATOM 771 CB VAL A 51 -0.839 -0.199 11.195 1.00 0.29 C ATOM 772 CG1 VAL A 51 0.467 0.010 10.457 1.00 0.27 C ATOM 773 CG2 VAL A 51 -0.893 -1.594 11.802 1.00 0.33 C ATOM 0 H VAL A 51 0.726 0.108 13.126 1.00 0.33 H new ATOM 0 HA VAL A 51 -0.894 1.871 11.826 1.00 0.31 H new ATOM 0 HB VAL A 51 -1.661 -0.112 10.484 1.00 0.29 H new ATOM 0 HG11 VAL A 51 0.584 -0.763 9.698 1.00 0.27 H new ATOM 0 HG12 VAL A 51 0.462 0.990 9.979 1.00 0.27 H new ATOM 0 HG13 VAL A 51 1.296 -0.046 11.162 1.00 0.27 H new ATOM 0 HG21 VAL A 51 -0.760 -2.338 11.017 1.00 0.33 H new ATOM 0 HG22 VAL A 51 -0.099 -1.700 12.541 1.00 0.33 H new ATOM 0 HG23 VAL A 51 -1.859 -1.744 12.284 1.00 0.33 H new ATOM 783 N SER A 52 -2.642 -0.025 13.856 1.00 0.37 N ATOM 784 CA SER A 52 -3.960 -0.190 14.449 1.00 0.45 C ATOM 785 C SER A 52 -4.462 1.132 15.032 1.00 0.48 C ATOM 786 O SER A 52 -5.602 1.532 14.795 1.00 0.51 O ATOM 787 CB SER A 52 -3.906 -1.274 15.523 1.00 0.53 C ATOM 788 OG SER A 52 -2.754 -1.121 16.339 1.00 1.24 O ATOM 0 H SER A 52 -1.909 -0.586 14.291 1.00 0.37 H new ATOM 0 HA SER A 52 -4.662 -0.497 13.674 1.00 0.45 H new ATOM 0 HB2 SER A 52 -4.803 -1.225 16.140 1.00 0.53 H new ATOM 0 HB3 SER A 52 -3.896 -2.257 15.053 1.00 0.53 H new ATOM 0 HG SER A 52 -2.740 -1.825 17.021 1.00 1.24 H new ATOM 794 N GLY A 53 -3.593 1.802 15.782 1.00 0.51 N ATOM 795 CA GLY A 53 -3.915 3.105 16.335 1.00 0.57 C ATOM 796 C GLY A 53 -4.314 4.114 15.272 1.00 0.55 C ATOM 797 O GLY A 53 -5.223 4.918 15.482 1.00 0.59 O ATOM 0 H GLY A 53 -2.661 1.461 16.019 1.00 0.51 H new ATOM 0 HA2 GLY A 53 -4.729 2.999 17.052 1.00 0.57 H new ATOM 0 HA3 GLY A 53 -3.053 3.484 16.884 1.00 0.57 H new ATOM 801 N ILE A 54 -3.630 4.080 14.136 1.00 0.50 N ATOM 802 CA ILE A 54 -3.939 4.981 13.030 1.00 0.51 C ATOM 803 C ILE A 54 -5.210 4.542 12.302 1.00 0.50 C ATOM 804 O ILE A 54 -6.151 5.318 12.159 1.00 0.57 O ATOM 805 CB ILE A 54 -2.774 5.047 12.018 1.00 0.49 C ATOM 806 CG1 ILE A 54 -1.476 5.438 12.732 1.00 0.48 C ATOM 807 CG2 ILE A 54 -3.092 6.042 10.903 1.00 0.55 C ATOM 808 CD1 ILE A 54 -0.243 5.340 11.859 1.00 0.49 C ATOM 0 H ILE A 54 -2.858 3.439 13.955 1.00 0.50 H new ATOM 0 HA ILE A 54 -4.094 5.971 13.459 1.00 0.51 H new ATOM 0 HB ILE A 54 -2.643 4.061 11.571 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -1.569 6.460 13.100 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -1.344 4.796 13.603 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -2.261 6.077 10.198 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -3.997 5.728 10.382 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -3.245 7.032 11.332 1.00 0.55 H new ATOM 0 HD11 ILE A 54 0.635 5.633 12.435 1.00 0.49 H new ATOM 0 HD12 ILE A 54 -0.124 4.314 11.512 1.00 0.49 H new ATOM 0 HD13 ILE A 54 -0.351 6.003 11.001 1.00 0.49 H new ATOM 820 N LEU A 55 -5.226 3.290 11.859 1.00 0.47 N ATOM 821 CA LEU A 55 -6.338 2.757 11.076 1.00 0.48 C ATOM 822 C LEU A 55 -7.653 2.811 11.849 1.00 0.55 C ATOM 823 O LEU A 55 -8.687 3.152 11.285 1.00 0.65 O ATOM 824 CB LEU A 55 -6.044 1.319 10.637 1.00 0.48 C ATOM 825 CG LEU A 55 -4.831 1.158 9.714 1.00 0.46 C ATOM 826 CD1 LEU A 55 -4.607 -0.305 9.373 1.00 0.52 C ATOM 827 CD2 LEU A 55 -5.013 1.978 8.446 1.00 0.46 C ATOM 0 H LEU A 55 -4.476 2.620 12.030 1.00 0.47 H new ATOM 0 HA LEU A 55 -6.445 3.386 10.192 1.00 0.48 H new ATOM 0 HB2 LEU A 55 -5.888 0.708 11.526 1.00 0.48 H new ATOM 0 HB3 LEU A 55 -6.923 0.923 10.129 1.00 0.48 H new ATOM 0 HG LEU A 55 -3.950 1.526 10.240 1.00 0.46 H new ATOM 0 HD11 LEU A 55 -3.741 -0.397 8.717 1.00 0.52 H new ATOM 0 HD12 LEU A 55 -4.430 -0.869 10.289 1.00 0.52 H new ATOM 0 HD13 LEU A 55 -5.489 -0.700 8.868 1.00 0.52 H new ATOM 0 HD21 LEU A 55 -4.142 1.851 7.803 1.00 0.46 H new ATOM 0 HD22 LEU A 55 -5.905 1.640 7.919 1.00 0.46 H new ATOM 0 HD23 LEU A 55 -5.122 3.031 8.706 1.00 0.46 H new ATOM 1167 N LYS B 5 -2.054 -10.347 -3.550 1.00 0.41 N ATOM 1168 CA LYS B 5 -0.873 -9.539 -3.264 1.00 0.36 C ATOM 1169 C LYS B 5 -0.437 -8.682 -4.445 1.00 0.27 C ATOM 1170 O LYS B 5 0.018 -7.557 -4.251 1.00 0.25 O ATOM 1171 CB LYS B 5 0.278 -10.434 -2.788 1.00 0.42 C ATOM 1172 CG LYS B 5 0.452 -11.716 -3.593 1.00 0.41 C ATOM 1173 CD LYS B 5 1.568 -12.580 -3.024 1.00 0.54 C ATOM 1174 CE LYS B 5 1.522 -13.998 -3.574 1.00 0.73 C ATOM 1175 NZ LYS B 5 1.703 -14.041 -5.049 1.00 1.14 N ATOM 0 HA LYS B 5 -1.147 -8.847 -2.468 1.00 0.36 H new ATOM 0 HB2 LYS B 5 1.206 -9.864 -2.830 1.00 0.42 H new ATOM 0 HB3 LYS B 5 0.111 -10.695 -1.743 1.00 0.42 H new ATOM 0 HG2 LYS B 5 -0.482 -12.278 -3.592 1.00 0.41 H new ATOM 0 HG3 LYS B 5 0.674 -11.469 -4.631 1.00 0.41 H new ATOM 0 HD2 LYS B 5 2.532 -12.130 -3.260 1.00 0.54 H new ATOM 0 HD3 LYS B 5 1.487 -12.609 -1.937 1.00 0.54 H new ATOM 0 HE2 LYS B 5 2.300 -14.595 -3.098 1.00 0.73 H new ATOM 0 HE3 LYS B 5 0.567 -14.454 -3.315 1.00 0.73 H new ATOM 0 HZ1 LYS B 5 1.681 -15.029 -5.373 1.00 1.14 H new ATOM 0 HZ2 LYS B 5 0.937 -13.509 -5.508 1.00 1.14 H new ATOM 0 HZ3 LYS B 5 2.618 -13.615 -5.299 1.00 1.14 H new ATOM 1189 N GLU B 6 -0.574 -9.205 -5.655 1.00 0.29 N ATOM 1190 CA GLU B 6 -0.223 -8.452 -6.853 1.00 0.36 C ATOM 1191 C GLU B 6 -1.156 -7.258 -7.033 1.00 0.38 C ATOM 1192 O GLU B 6 -0.711 -6.149 -7.334 1.00 0.40 O ATOM 1193 CB GLU B 6 -0.279 -9.353 -8.086 1.00 0.49 C ATOM 1194 CG GLU B 6 0.141 -8.663 -9.372 1.00 0.99 C ATOM 1195 CD GLU B 6 0.160 -9.605 -10.554 1.00 1.46 C ATOM 1196 OE1 GLU B 6 1.121 -10.392 -10.673 1.00 2.00 O ATOM 1197 OE2 GLU B 6 -0.786 -9.572 -11.369 1.00 2.11 O ATOM 0 H GLU B 6 -0.925 -10.146 -5.834 1.00 0.29 H new ATOM 0 HA GLU B 6 0.795 -8.081 -6.735 1.00 0.36 H new ATOM 0 HB2 GLU B 6 0.365 -10.217 -7.922 1.00 0.49 H new ATOM 0 HB3 GLU B 6 -1.295 -9.730 -8.203 1.00 0.49 H new ATOM 0 HG2 GLU B 6 -0.542 -7.839 -9.579 1.00 0.99 H new ATOM 0 HG3 GLU B 6 1.132 -8.229 -9.241 1.00 0.99 H new ATOM 1204 N GLU B 7 -2.450 -7.490 -6.824 1.00 0.41 N ATOM 1205 CA GLU B 7 -3.456 -6.446 -6.985 1.00 0.48 C ATOM 1206 C GLU B 7 -3.207 -5.314 -6.001 1.00 0.40 C ATOM 1207 O GLU B 7 -3.147 -4.142 -6.377 1.00 0.39 O ATOM 1208 CB GLU B 7 -4.857 -7.007 -6.739 1.00 0.61 C ATOM 1209 CG GLU B 7 -5.164 -8.280 -7.500 1.00 0.74 C ATOM 1210 CD GLU B 7 -6.489 -8.892 -7.081 1.00 0.95 C ATOM 1211 OE1 GLU B 7 -6.730 -9.026 -5.861 1.00 1.68 O ATOM 1212 OE2 GLU B 7 -7.295 -9.243 -7.969 1.00 1.25 O ATOM 0 H GLU B 7 -2.826 -8.395 -6.542 1.00 0.41 H new ATOM 0 HA GLU B 7 -3.386 -6.070 -8.006 1.00 0.48 H new ATOM 0 HB2 GLU B 7 -4.977 -7.198 -5.673 1.00 0.61 H new ATOM 0 HB3 GLU B 7 -5.592 -6.249 -7.011 1.00 0.61 H new ATOM 0 HG2 GLU B 7 -5.186 -8.066 -8.569 1.00 0.74 H new ATOM 0 HG3 GLU B 7 -4.364 -9.002 -7.336 1.00 0.74 H new ATOM 1219 N ILE B 8 -3.053 -5.684 -4.737 1.00 0.37 N ATOM 1220 CA ILE B 8 -2.878 -4.711 -3.672 1.00 0.35 C ATOM 1221 C ILE B 8 -1.564 -3.957 -3.839 1.00 0.27 C ATOM 1222 O ILE B 8 -1.535 -2.736 -3.723 1.00 0.24 O ATOM 1223 CB ILE B 8 -2.924 -5.376 -2.280 1.00 0.39 C ATOM 1224 CG1 ILE B 8 -4.210 -6.199 -2.115 1.00 0.54 C ATOM 1225 CG2 ILE B 8 -2.824 -4.324 -1.181 1.00 0.42 C ATOM 1226 CD1 ILE B 8 -5.485 -5.386 -2.229 1.00 0.96 C ATOM 0 H ILE B 8 -3.046 -6.655 -4.425 1.00 0.37 H new ATOM 0 HA ILE B 8 -3.706 -4.006 -3.741 1.00 0.35 H new ATOM 0 HB ILE B 8 -2.071 -6.049 -2.195 1.00 0.39 H new ATOM 0 HG12 ILE B 8 -4.225 -6.985 -2.870 1.00 0.54 H new ATOM 0 HG13 ILE B 8 -4.191 -6.691 -1.143 1.00 0.54 H new ATOM 0 HG21 ILE B 8 -2.858 -4.811 -0.207 1.00 0.42 H new ATOM 0 HG22 ILE B 8 -1.885 -3.780 -1.282 1.00 0.42 H new ATOM 0 HG23 ILE B 8 -3.658 -3.627 -1.267 1.00 0.42 H new ATOM 0 HD11 ILE B 8 -6.347 -6.041 -2.101 1.00 0.96 H new ATOM 0 HD12 ILE B 8 -5.496 -4.616 -1.457 1.00 0.96 H new ATOM 0 HD13 ILE B 8 -5.530 -4.915 -3.211 1.00 0.96 H new ATOM 1238 N ALA B 9 -0.485 -4.683 -4.124 1.00 0.24 N ATOM 1239 CA ALA B 9 0.824 -4.067 -4.333 1.00 0.20 C ATOM 1240 C ALA B 9 0.774 -3.012 -5.432 1.00 0.19 C ATOM 1241 O ALA B 9 1.402 -1.957 -5.320 1.00 0.16 O ATOM 1242 CB ALA B 9 1.863 -5.124 -4.669 1.00 0.21 C ATOM 0 H ALA B 9 -0.491 -5.699 -4.216 1.00 0.24 H new ATOM 0 HA ALA B 9 1.108 -3.573 -3.404 1.00 0.20 H new ATOM 0 HB1 ALA B 9 2.831 -4.647 -4.821 1.00 0.21 H new ATOM 0 HB2 ALA B 9 1.935 -5.837 -3.848 1.00 0.21 H new ATOM 0 HB3 ALA B 9 1.569 -5.647 -5.579 1.00 0.21 H new ATOM 1248 N ALA B 10 0.021 -3.300 -6.489 1.00 0.23 N ATOM 1249 CA ALA B 10 -0.160 -2.354 -7.580 1.00 0.25 C ATOM 1250 C ALA B 10 -0.822 -1.077 -7.074 1.00 0.23 C ATOM 1251 O ALA B 10 -0.369 0.030 -7.362 1.00 0.22 O ATOM 1252 CB ALA B 10 -0.987 -2.983 -8.692 1.00 0.33 C ATOM 0 H ALA B 10 -0.474 -4.183 -6.611 1.00 0.23 H new ATOM 0 HA ALA B 10 0.819 -2.095 -7.983 1.00 0.25 H new ATOM 0 HB1 ALA B 10 -1.115 -2.264 -9.502 1.00 0.33 H new ATOM 0 HB2 ALA B 10 -0.475 -3.868 -9.070 1.00 0.33 H new ATOM 0 HB3 ALA B 10 -1.964 -3.268 -8.302 1.00 0.33 H new ATOM 1258 N LEU B 11 -1.884 -1.244 -6.302 1.00 0.27 N ATOM 1259 CA LEU B 11 -2.596 -0.118 -5.713 1.00 0.29 C ATOM 1260 C LEU B 11 -1.655 0.663 -4.793 1.00 0.26 C ATOM 1261 O LEU B 11 -1.651 1.896 -4.778 1.00 0.29 O ATOM 1262 CB LEU B 11 -3.822 -0.649 -4.940 1.00 0.38 C ATOM 1263 CG LEU B 11 -4.855 0.385 -4.461 1.00 0.75 C ATOM 1264 CD1 LEU B 11 -4.360 1.147 -3.239 1.00 1.56 C ATOM 1265 CD2 LEU B 11 -5.208 1.347 -5.584 1.00 0.63 C ATOM 0 H LEU B 11 -2.275 -2.156 -6.067 1.00 0.27 H new ATOM 0 HA LEU B 11 -2.942 0.560 -6.493 1.00 0.29 H new ATOM 0 HB2 LEU B 11 -4.336 -1.370 -5.576 1.00 0.38 H new ATOM 0 HB3 LEU B 11 -3.461 -1.194 -4.068 1.00 0.38 H new ATOM 0 HG LEU B 11 -5.754 -0.157 -4.170 1.00 0.75 H new ATOM 0 HD11 LEU B 11 -5.116 1.868 -2.929 1.00 1.56 H new ATOM 0 HD12 LEU B 11 -4.172 0.447 -2.425 1.00 1.56 H new ATOM 0 HD13 LEU B 11 -3.437 1.672 -3.487 1.00 1.56 H new ATOM 0 HD21 LEU B 11 -5.940 2.071 -5.226 1.00 0.63 H new ATOM 0 HD22 LEU B 11 -4.309 1.871 -5.911 1.00 0.63 H new ATOM 0 HD23 LEU B 11 -5.628 0.790 -6.422 1.00 0.63 H new ATOM 1277 N ILE B 12 -0.844 -0.080 -4.056 1.00 0.21 N ATOM 1278 CA ILE B 12 0.096 0.482 -3.099 1.00 0.20 C ATOM 1279 C ILE B 12 1.134 1.381 -3.770 1.00 0.18 C ATOM 1280 O ILE B 12 1.288 2.546 -3.394 1.00 0.20 O ATOM 1281 CB ILE B 12 0.797 -0.648 -2.314 1.00 0.18 C ATOM 1282 CG1 ILE B 12 -0.208 -1.319 -1.371 1.00 0.22 C ATOM 1283 CG2 ILE B 12 1.999 -0.118 -1.548 1.00 0.20 C ATOM 1284 CD1 ILE B 12 0.332 -2.533 -0.647 1.00 0.24 C ATOM 0 H ILE B 12 -0.820 -1.098 -4.106 1.00 0.21 H new ATOM 0 HA ILE B 12 -0.475 1.103 -2.409 1.00 0.20 H new ATOM 0 HB ILE B 12 1.166 -1.391 -3.020 1.00 0.18 H new ATOM 0 HG12 ILE B 12 -0.540 -0.588 -0.633 1.00 0.22 H new ATOM 0 HG13 ILE B 12 -1.086 -1.614 -1.945 1.00 0.22 H new ATOM 0 HG21 ILE B 12 2.473 -0.935 -1.004 1.00 0.20 H new ATOM 0 HG22 ILE B 12 2.714 0.316 -2.247 1.00 0.20 H new ATOM 0 HG23 ILE B 12 1.673 0.646 -0.842 1.00 0.20 H new ATOM 0 HD11 ILE B 12 -0.443 -2.946 -0.001 1.00 0.24 H new ATOM 0 HD12 ILE B 12 0.637 -3.285 -1.375 1.00 0.24 H new ATOM 0 HD13 ILE B 12 1.192 -2.244 -0.043 1.00 0.24 H new ATOM 1296 N VAL B 13 1.840 0.853 -4.765 1.00 0.16 N ATOM 1297 CA VAL B 13 2.879 1.630 -5.431 1.00 0.16 C ATOM 1298 C VAL B 13 2.275 2.798 -6.204 1.00 0.16 C ATOM 1299 O VAL B 13 2.859 3.878 -6.263 1.00 0.18 O ATOM 1300 CB VAL B 13 3.758 0.769 -6.368 1.00 0.15 C ATOM 1301 CG1 VAL B 13 4.513 -0.285 -5.574 1.00 0.16 C ATOM 1302 CG2 VAL B 13 2.930 0.116 -7.461 1.00 0.14 C ATOM 0 H VAL B 13 1.715 -0.094 -5.123 1.00 0.16 H new ATOM 0 HA VAL B 13 3.526 2.018 -4.645 1.00 0.16 H new ATOM 0 HB VAL B 13 4.480 1.432 -6.846 1.00 0.15 H new ATOM 0 HG11 VAL B 13 5.126 -0.881 -6.251 1.00 0.16 H new ATOM 0 HG12 VAL B 13 5.153 0.203 -4.839 1.00 0.16 H new ATOM 0 HG13 VAL B 13 3.802 -0.934 -5.062 1.00 0.16 H new ATOM 0 HG21 VAL B 13 3.579 -0.481 -8.101 1.00 0.14 H new ATOM 0 HG22 VAL B 13 2.174 -0.527 -7.010 1.00 0.14 H new ATOM 0 HG23 VAL B 13 2.442 0.887 -8.057 1.00 0.14 H new ATOM 1312 N ASN B 14 1.092 2.581 -6.775 1.00 0.18 N ATOM 1313 CA ASN B 14 0.378 3.641 -7.484 1.00 0.21 C ATOM 1314 C ASN B 14 0.102 4.810 -6.545 1.00 0.19 C ATOM 1315 O ASN B 14 0.179 5.976 -6.938 1.00 0.20 O ATOM 1316 CB ASN B 14 -0.946 3.123 -8.047 1.00 0.30 C ATOM 1317 CG ASN B 14 -1.610 4.118 -8.983 1.00 0.42 C ATOM 1318 OD1 ASN B 14 -0.942 4.822 -9.743 1.00 0.45 O ATOM 1319 ND2 ASN B 14 -2.928 4.204 -8.915 1.00 0.57 N ATOM 0 H ASN B 14 0.608 1.683 -6.761 1.00 0.18 H new ATOM 0 HA ASN B 14 1.007 3.976 -8.309 1.00 0.21 H new ATOM 0 HB2 ASN B 14 -0.769 2.189 -8.581 1.00 0.30 H new ATOM 0 HB3 ASN B 14 -1.623 2.896 -7.224 1.00 0.30 H new ATOM 0 HD21 ASN B 14 -3.427 4.870 -9.505 1.00 0.57 H new ATOM 0 HD22 ASN B 14 -3.446 3.604 -8.273 1.00 0.57 H new ATOM 1326 N TYR B 15 -0.205 4.483 -5.295 1.00 0.22 N ATOM 1327 CA TYR B 15 -0.485 5.497 -4.292 1.00 0.24 C ATOM 1328 C TYR B 15 0.743 6.365 -4.046 1.00 0.21 C ATOM 1329 O TYR B 15 0.668 7.592 -4.116 1.00 0.23 O ATOM 1330 CB TYR B 15 -0.943 4.859 -2.980 1.00 0.29 C ATOM 1331 CG TYR B 15 -1.303 5.880 -1.924 1.00 0.38 C ATOM 1332 CD1 TYR B 15 -2.465 6.628 -2.036 1.00 1.30 C ATOM 1333 CD2 TYR B 15 -0.475 6.110 -0.831 1.00 1.19 C ATOM 1334 CE1 TYR B 15 -2.798 7.575 -1.090 1.00 1.39 C ATOM 1335 CE2 TYR B 15 -0.801 7.060 0.119 1.00 1.21 C ATOM 1336 CZ TYR B 15 -1.965 7.787 -0.017 1.00 0.64 C ATOM 1337 OH TYR B 15 -2.294 8.737 0.918 1.00 0.79 O ATOM 0 H TYR B 15 -0.266 3.523 -4.954 1.00 0.22 H new ATOM 0 HA TYR B 15 -1.291 6.125 -4.672 1.00 0.24 H new ATOM 0 HB2 TYR B 15 -1.807 4.223 -3.173 1.00 0.29 H new ATOM 0 HB3 TYR B 15 -0.151 4.214 -2.600 1.00 0.29 H new ATOM 0 HD1 TYR B 15 -3.121 6.466 -2.879 1.00 1.30 H new ATOM 0 HD2 TYR B 15 0.435 5.539 -0.723 1.00 1.19 H new ATOM 0 HE1 TYR B 15 -3.708 8.147 -1.192 1.00 1.39 H new ATOM 0 HE2 TYR B 15 -0.148 7.232 0.962 1.00 1.21 H new ATOM 0 HH TYR B 15 -3.157 8.512 1.324 1.00 0.79 H new ATOM 1347 N PHE B 16 1.879 5.728 -3.775 1.00 0.20 N ATOM 1348 CA PHE B 16 3.113 6.463 -3.515 1.00 0.20 C ATOM 1349 C PHE B 16 3.552 7.236 -4.750 1.00 0.19 C ATOM 1350 O PHE B 16 4.078 8.345 -4.641 1.00 0.20 O ATOM 1351 CB PHE B 16 4.233 5.525 -3.056 1.00 0.20 C ATOM 1352 CG PHE B 16 3.959 4.842 -1.742 1.00 0.20 C ATOM 1353 CD1 PHE B 16 3.527 5.570 -0.641 1.00 1.04 C ATOM 1354 CD2 PHE B 16 4.131 3.472 -1.606 1.00 0.91 C ATOM 1355 CE1 PHE B 16 3.275 4.944 0.564 1.00 1.04 C ATOM 1356 CE2 PHE B 16 3.879 2.845 -0.403 1.00 0.91 C ATOM 1357 CZ PHE B 16 3.451 3.582 0.682 1.00 0.22 C ATOM 0 H PHE B 16 1.971 4.713 -3.730 1.00 0.20 H new ATOM 0 HA PHE B 16 2.910 7.171 -2.712 1.00 0.20 H new ATOM 0 HB2 PHE B 16 4.394 4.766 -3.822 1.00 0.20 H new ATOM 0 HB3 PHE B 16 5.159 6.095 -2.972 1.00 0.20 H new ATOM 0 HD1 PHE B 16 3.387 6.637 -0.728 1.00 1.04 H new ATOM 0 HD2 PHE B 16 4.466 2.890 -2.452 1.00 0.91 H new ATOM 0 HE1 PHE B 16 2.940 5.521 1.413 1.00 1.04 H new ATOM 0 HE2 PHE B 16 4.017 1.778 -0.311 1.00 0.91 H new ATOM 0 HZ PHE B 16 3.254 3.092 1.624 1.00 0.22 H new ATOM 1367 N SER B 17 3.314 6.659 -5.922 1.00 0.19 N ATOM 1368 CA SER B 17 3.620 7.327 -7.177 1.00 0.20 C ATOM 1369 C SER B 17 2.816 8.618 -7.296 1.00 0.20 C ATOM 1370 O SER B 17 3.298 9.621 -7.820 1.00 0.24 O ATOM 1371 CB SER B 17 3.318 6.405 -8.359 1.00 0.21 C ATOM 1372 OG SER B 17 4.066 5.201 -8.276 1.00 0.90 O ATOM 0 H SER B 17 2.909 5.729 -6.027 1.00 0.19 H new ATOM 0 HA SER B 17 4.682 7.572 -7.191 1.00 0.20 H new ATOM 0 HB2 SER B 17 2.253 6.174 -8.380 1.00 0.21 H new ATOM 0 HB3 SER B 17 3.551 6.918 -9.292 1.00 0.21 H new ATOM 0 HG SER B 17 3.906 4.776 -7.407 1.00 0.90 H new ATOM 1378 N SER B 18 1.597 8.585 -6.778 1.00 0.24 N ATOM 1379 CA SER B 18 0.723 9.744 -6.792 1.00 0.25 C ATOM 1380 C SER B 18 1.173 10.779 -5.760 1.00 0.25 C ATOM 1381 O SER B 18 1.175 11.979 -6.034 1.00 0.29 O ATOM 1382 CB SER B 18 -0.714 9.303 -6.518 1.00 0.26 C ATOM 1383 OG SER B 18 -1.140 8.346 -7.477 1.00 0.84 O ATOM 0 H SER B 18 1.190 7.759 -6.339 1.00 0.24 H new ATOM 0 HA SER B 18 0.773 10.211 -7.776 1.00 0.25 H new ATOM 0 HB2 SER B 18 -0.784 8.877 -5.517 1.00 0.26 H new ATOM 0 HB3 SER B 18 -1.376 10.169 -6.543 1.00 0.26 H new ATOM 0 HG SER B 18 -0.774 7.467 -7.246 1.00 0.84 H new ATOM 1389 N ILE B 19 1.574 10.310 -4.582 1.00 0.23 N ATOM 1390 CA ILE B 19 2.003 11.201 -3.506 1.00 0.24 C ATOM 1391 C ILE B 19 3.248 11.990 -3.907 1.00 0.25 C ATOM 1392 O ILE B 19 3.327 13.199 -3.676 1.00 0.28 O ATOM 1393 CB ILE B 19 2.284 10.424 -2.196 1.00 0.24 C ATOM 1394 CG1 ILE B 19 1.024 9.692 -1.725 1.00 0.25 C ATOM 1395 CG2 ILE B 19 2.787 11.362 -1.104 1.00 0.27 C ATOM 1396 CD1 ILE B 19 -0.151 10.609 -1.445 1.00 0.27 C ATOM 0 H ILE B 19 1.611 9.318 -4.347 1.00 0.23 H new ATOM 0 HA ILE B 19 1.182 11.896 -3.327 1.00 0.24 H new ATOM 0 HB ILE B 19 3.061 9.688 -2.401 1.00 0.24 H new ATOM 0 HG12 ILE B 19 0.733 8.966 -2.484 1.00 0.25 H new ATOM 0 HG13 ILE B 19 1.258 9.131 -0.820 1.00 0.25 H new ATOM 0 HG21 ILE B 19 2.977 10.792 -0.194 1.00 0.27 H new ATOM 0 HG22 ILE B 19 3.710 11.841 -1.432 1.00 0.27 H new ATOM 0 HG23 ILE B 19 2.034 12.124 -0.904 1.00 0.27 H new ATOM 0 HD11 ILE B 19 -1.005 10.016 -1.116 1.00 0.27 H new ATOM 0 HD12 ILE B 19 0.120 11.319 -0.664 1.00 0.27 H new ATOM 0 HD13 ILE B 19 -0.414 11.151 -2.353 1.00 0.27 H new ATOM 1408 N VAL B 20 4.212 11.310 -4.521 1.00 0.25 N ATOM 1409 CA VAL B 20 5.442 11.962 -4.947 1.00 0.28 C ATOM 1410 C VAL B 20 5.198 12.827 -6.185 1.00 0.33 C ATOM 1411 O VAL B 20 5.840 13.861 -6.363 1.00 0.34 O ATOM 1412 CB VAL B 20 6.575 10.943 -5.218 1.00 0.28 C ATOM 1413 CG1 VAL B 20 6.853 10.113 -3.973 1.00 0.26 C ATOM 1414 CG2 VAL B 20 6.245 10.039 -6.397 1.00 0.30 C ATOM 0 H VAL B 20 4.164 10.313 -4.733 1.00 0.25 H new ATOM 0 HA VAL B 20 5.765 12.603 -4.127 1.00 0.28 H new ATOM 0 HB VAL B 20 7.472 11.506 -5.474 1.00 0.28 H new ATOM 0 HG11 VAL B 20 7.652 9.402 -4.181 1.00 0.26 H new ATOM 0 HG12 VAL B 20 7.155 10.770 -3.158 1.00 0.26 H new ATOM 0 HG13 VAL B 20 5.951 9.572 -3.688 1.00 0.26 H new ATOM 0 HG21 VAL B 20 7.063 9.337 -6.557 1.00 0.30 H new ATOM 0 HG22 VAL B 20 5.329 9.487 -6.187 1.00 0.30 H new ATOM 0 HG23 VAL B 20 6.106 10.645 -7.292 1.00 0.30 H new ATOM 1424 N GLU B 21 4.258 12.403 -7.029 1.00 0.39 N ATOM 1425 CA GLU B 21 3.850 13.185 -8.195 1.00 0.49 C ATOM 1426 C GLU B 21 3.341 14.558 -7.769 1.00 0.49 C ATOM 1427 O GLU B 21 3.771 15.589 -8.287 1.00 0.53 O ATOM 1428 CB GLU B 21 2.739 12.460 -8.961 1.00 0.60 C ATOM 1429 CG GLU B 21 2.193 13.254 -10.136 1.00 1.24 C ATOM 1430 CD GLU B 21 0.808 12.803 -10.553 1.00 1.84 C ATOM 1431 OE1 GLU B 21 -0.174 13.208 -9.894 1.00 2.49 O ATOM 1432 OE2 GLU B 21 0.691 12.056 -11.547 1.00 2.40 O ATOM 0 H GLU B 21 3.763 11.517 -6.926 1.00 0.39 H new ATOM 0 HA GLU B 21 4.721 13.305 -8.839 1.00 0.49 H new ATOM 0 HB2 GLU B 21 3.122 11.506 -9.324 1.00 0.60 H new ATOM 0 HB3 GLU B 21 1.923 12.235 -8.274 1.00 0.60 H new ATOM 0 HG2 GLU B 21 2.162 14.311 -9.872 1.00 1.24 H new ATOM 0 HG3 GLU B 21 2.873 13.156 -10.982 1.00 1.24 H new ATOM 1439 N LYS B 22 2.427 14.555 -6.811 1.00 0.47 N ATOM 1440 CA LYS B 22 1.767 15.777 -6.375 1.00 0.50 C ATOM 1441 C LYS B 22 2.582 16.477 -5.292 1.00 0.43 C ATOM 1442 O LYS B 22 2.232 17.563 -4.831 1.00 0.44 O ATOM 1443 CB LYS B 22 0.363 15.450 -5.866 1.00 0.58 C ATOM 1444 CG LYS B 22 -0.406 14.540 -6.809 1.00 0.68 C ATOM 1445 CD LYS B 22 -1.772 14.171 -6.260 1.00 0.81 C ATOM 1446 CE LYS B 22 -2.392 13.021 -7.044 1.00 0.72 C ATOM 1447 NZ LYS B 22 -2.445 13.296 -8.506 1.00 1.41 N ATOM 0 H LYS B 22 2.124 13.715 -6.318 1.00 0.47 H new ATOM 0 HA LYS B 22 1.688 16.456 -7.224 1.00 0.50 H new ATOM 0 HB2 LYS B 22 0.437 14.974 -4.888 1.00 0.58 H new ATOM 0 HB3 LYS B 22 -0.194 16.377 -5.728 1.00 0.58 H new ATOM 0 HG2 LYS B 22 -0.525 15.035 -7.773 1.00 0.68 H new ATOM 0 HG3 LYS B 22 0.170 13.632 -6.986 1.00 0.68 H new ATOM 0 HD2 LYS B 22 -1.681 13.891 -5.211 1.00 0.81 H new ATOM 0 HD3 LYS B 22 -2.430 15.039 -6.302 1.00 0.81 H new ATOM 0 HE2 LYS B 22 -1.816 12.113 -6.868 1.00 0.72 H new ATOM 0 HE3 LYS B 22 -3.401 12.835 -6.675 1.00 0.72 H new ATOM 0 HZ1 LYS B 22 -2.994 12.550 -8.980 1.00 1.41 H new ATOM 0 HZ2 LYS B 22 -2.899 14.217 -8.670 1.00 1.41 H new ATOM 0 HZ3 LYS B 22 -1.479 13.313 -8.891 1.00 1.41 H new ATOM 1461 N LYS B 23 3.683 15.823 -4.912 1.00 0.37 N ATOM 1462 CA LYS B 23 4.622 16.332 -3.914 1.00 0.32 C ATOM 1463 C LYS B 23 3.929 16.720 -2.616 1.00 0.36 C ATOM 1464 O LYS B 23 4.215 17.766 -2.036 1.00 0.41 O ATOM 1465 CB LYS B 23 5.422 17.511 -4.473 1.00 0.36 C ATOM 1466 CG LYS B 23 6.408 17.102 -5.555 1.00 0.42 C ATOM 1467 CD LYS B 23 7.227 18.282 -6.045 1.00 0.57 C ATOM 1468 CE LYS B 23 8.275 17.842 -7.054 1.00 1.21 C ATOM 1469 NZ LYS B 23 9.058 18.988 -7.581 1.00 1.79 N ATOM 0 H LYS B 23 3.949 14.915 -5.294 1.00 0.37 H new ATOM 0 HA LYS B 23 5.311 15.521 -3.680 1.00 0.32 H new ATOM 0 HB2 LYS B 23 4.732 18.251 -4.879 1.00 0.36 H new ATOM 0 HB3 LYS B 23 5.964 17.993 -3.659 1.00 0.36 H new ATOM 0 HG2 LYS B 23 7.075 16.332 -5.167 1.00 0.42 H new ATOM 0 HG3 LYS B 23 5.867 16.662 -6.393 1.00 0.42 H new ATOM 0 HD2 LYS B 23 6.568 19.022 -6.500 1.00 0.57 H new ATOM 0 HD3 LYS B 23 7.714 18.767 -5.199 1.00 0.57 H new ATOM 0 HE2 LYS B 23 8.951 17.126 -6.586 1.00 1.21 H new ATOM 0 HE3 LYS B 23 7.787 17.326 -7.881 1.00 1.21 H new ATOM 0 HZ1 LYS B 23 9.761 18.643 -8.265 1.00 1.79 H new ATOM 0 HZ2 LYS B 23 8.418 19.659 -8.051 1.00 1.79 H new ATOM 0 HZ3 LYS B 23 9.545 19.466 -6.796 1.00 1.79 H new ATOM 1483 N GLU B 24 3.036 15.857 -2.149 1.00 0.38 N ATOM 1484 CA GLU B 24 2.342 16.094 -0.888 1.00 0.46 C ATOM 1485 C GLU B 24 3.177 15.596 0.286 1.00 0.40 C ATOM 1486 O GLU B 24 2.708 15.546 1.422 1.00 0.44 O ATOM 1487 CB GLU B 24 0.969 15.421 -0.886 1.00 0.57 C ATOM 1488 CG GLU B 24 0.000 16.028 -1.885 1.00 0.85 C ATOM 1489 CD GLU B 24 -1.420 15.542 -1.687 1.00 1.09 C ATOM 1490 OE1 GLU B 24 -1.996 15.810 -0.610 1.00 1.66 O ATOM 1491 OE2 GLU B 24 -1.969 14.901 -2.606 1.00 1.84 O ATOM 0 H GLU B 24 2.776 14.991 -2.621 1.00 0.38 H new ATOM 0 HA GLU B 24 2.197 17.169 -0.780 1.00 0.46 H new ATOM 0 HB2 GLU B 24 1.092 14.361 -1.108 1.00 0.57 H new ATOM 0 HB3 GLU B 24 0.540 15.490 0.114 1.00 0.57 H new ATOM 0 HG2 GLU B 24 0.024 17.114 -1.795 1.00 0.85 H new ATOM 0 HG3 GLU B 24 0.326 15.784 -2.896 1.00 0.85 H new ATOM 1498 N ILE B 25 4.416 15.234 -0.006 1.00 0.36 N ATOM 1499 CA ILE B 25 5.353 14.783 1.006 1.00 0.33 C ATOM 1500 C ILE B 25 6.705 15.451 0.770 1.00 0.33 C ATOM 1501 O ILE B 25 7.023 15.826 -0.363 1.00 0.34 O ATOM 1502 CB ILE B 25 5.514 13.240 0.976 1.00 0.29 C ATOM 1503 CG1 ILE B 25 6.385 12.767 2.148 1.00 0.29 C ATOM 1504 CG2 ILE B 25 6.108 12.789 -0.354 1.00 0.26 C ATOM 1505 CD1 ILE B 25 6.564 11.265 2.214 1.00 0.28 C ATOM 0 H ILE B 25 4.799 15.245 -0.951 1.00 0.36 H new ATOM 0 HA ILE B 25 4.966 15.060 1.987 1.00 0.33 H new ATOM 0 HB ILE B 25 4.527 12.788 1.079 1.00 0.29 H new ATOM 0 HG12 ILE B 25 7.366 13.237 2.071 1.00 0.29 H new ATOM 0 HG13 ILE B 25 5.939 13.111 3.081 1.00 0.29 H new ATOM 0 HG21 ILE B 25 6.213 11.704 -0.356 1.00 0.26 H new ATOM 0 HG22 ILE B 25 5.449 13.091 -1.168 1.00 0.26 H new ATOM 0 HG23 ILE B 25 7.087 13.249 -0.490 1.00 0.26 H new ATOM 0 HD11 ILE B 25 7.191 11.011 3.068 1.00 0.28 H new ATOM 0 HD12 ILE B 25 5.590 10.787 2.323 1.00 0.28 H new ATOM 0 HD13 ILE B 25 7.039 10.915 1.298 1.00 0.28 H new ATOM 1517 N SER B 26 7.463 15.643 1.842 1.00 0.35 N ATOM 1518 CA SER B 26 8.816 16.172 1.751 1.00 0.38 C ATOM 1519 C SER B 26 9.647 15.329 0.783 1.00 0.34 C ATOM 1520 O SER B 26 9.536 14.101 0.759 1.00 0.31 O ATOM 1521 CB SER B 26 9.451 16.174 3.140 1.00 0.46 C ATOM 1522 OG SER B 26 8.603 16.812 4.080 1.00 1.47 O ATOM 0 H SER B 26 7.159 15.437 2.794 1.00 0.35 H new ATOM 0 HA SER B 26 8.783 17.193 1.372 1.00 0.38 H new ATOM 0 HB2 SER B 26 9.647 15.150 3.457 1.00 0.46 H new ATOM 0 HB3 SER B 26 10.413 16.686 3.105 1.00 0.46 H new ATOM 0 HG SER B 26 9.027 16.801 4.963 1.00 1.47 H new ATOM 1528 N GLU B 27 10.481 16.002 -0.009 1.00 0.40 N ATOM 1529 CA GLU B 27 11.194 15.365 -1.118 1.00 0.45 C ATOM 1530 C GLU B 27 12.159 14.283 -0.636 1.00 0.40 C ATOM 1531 O GLU B 27 12.469 13.346 -1.373 1.00 0.44 O ATOM 1532 CB GLU B 27 11.944 16.410 -1.945 1.00 0.69 C ATOM 1533 CG GLU B 27 12.912 17.257 -1.138 1.00 0.75 C ATOM 1534 CD GLU B 27 13.709 18.206 -2.007 1.00 1.21 C ATOM 1535 OE1 GLU B 27 14.778 17.801 -2.506 1.00 1.70 O ATOM 1536 OE2 GLU B 27 13.270 19.358 -2.200 1.00 1.87 O ATOM 0 H GLU B 27 10.681 16.996 0.098 1.00 0.40 H new ATOM 0 HA GLU B 27 10.445 14.881 -1.745 1.00 0.45 H new ATOM 0 HB2 GLU B 27 12.494 15.904 -2.738 1.00 0.69 H new ATOM 0 HB3 GLU B 27 11.219 17.065 -2.428 1.00 0.69 H new ATOM 0 HG2 GLU B 27 12.357 17.829 -0.394 1.00 0.75 H new ATOM 0 HG3 GLU B 27 13.596 16.605 -0.595 1.00 0.75 H new ATOM 1543 N ASP B 28 12.639 14.419 0.593 1.00 0.38 N ATOM 1544 CA ASP B 28 13.479 13.391 1.197 1.00 0.39 C ATOM 1545 C ASP B 28 12.662 12.125 1.409 1.00 0.34 C ATOM 1546 O ASP B 28 13.092 11.022 1.061 1.00 0.38 O ATOM 1547 CB ASP B 28 14.049 13.875 2.529 1.00 0.46 C ATOM 1548 CG ASP B 28 15.019 12.886 3.145 1.00 1.00 C ATOM 1549 OD1 ASP B 28 14.571 11.972 3.869 1.00 1.64 O ATOM 1550 OD2 ASP B 28 16.238 13.024 2.912 1.00 1.84 O ATOM 0 H ASP B 28 12.463 15.227 1.190 1.00 0.38 H new ATOM 0 HA ASP B 28 14.311 13.178 0.526 1.00 0.39 H new ATOM 0 HB2 ASP B 28 14.556 14.828 2.378 1.00 0.46 H new ATOM 0 HB3 ASP B 28 13.230 14.056 3.225 1.00 0.46 H new ATOM 1555 N GLY B 29 11.469 12.305 1.966 1.00 0.30 N ATOM 1556 CA GLY B 29 10.555 11.199 2.159 1.00 0.30 C ATOM 1557 C GLY B 29 10.054 10.644 0.844 1.00 0.26 C ATOM 1558 O GLY B 29 9.830 9.442 0.717 1.00 0.24 O ATOM 0 H GLY B 29 11.118 13.207 2.289 1.00 0.30 H new ATOM 0 HA2 GLY B 29 11.055 10.409 2.719 1.00 0.30 H new ATOM 0 HA3 GLY B 29 9.708 11.529 2.760 1.00 0.30 H new ATOM 1562 N ALA B 30 9.873 11.523 -0.140 1.00 0.24 N ATOM 1563 CA ALA B 30 9.486 11.110 -1.484 1.00 0.23 C ATOM 1564 C ALA B 30 10.487 10.116 -2.058 1.00 0.22 C ATOM 1565 O ALA B 30 10.103 9.095 -2.627 1.00 0.21 O ATOM 1566 CB ALA B 30 9.364 12.323 -2.394 1.00 0.24 C ATOM 0 H ALA B 30 9.989 12.530 -0.029 1.00 0.24 H new ATOM 0 HA ALA B 30 8.516 10.617 -1.422 1.00 0.23 H new ATOM 0 HB1 ALA B 30 9.075 12.000 -3.394 1.00 0.24 H new ATOM 0 HB2 ALA B 30 8.607 13.000 -1.998 1.00 0.24 H new ATOM 0 HB3 ALA B 30 10.323 12.839 -2.443 1.00 0.24 H new ATOM 1572 N ASP B 31 11.770 10.414 -1.900 1.00 0.24 N ATOM 1573 CA ASP B 31 12.824 9.506 -2.347 1.00 0.25 C ATOM 1574 C ASP B 31 12.732 8.177 -1.605 1.00 0.24 C ATOM 1575 O ASP B 31 12.940 7.111 -2.183 1.00 0.23 O ATOM 1576 CB ASP B 31 14.202 10.128 -2.129 1.00 0.31 C ATOM 1577 CG ASP B 31 15.328 9.168 -2.464 1.00 0.77 C ATOM 1578 OD1 ASP B 31 15.637 8.998 -3.660 1.00 1.47 O ATOM 1579 OD2 ASP B 31 15.907 8.579 -1.526 1.00 1.34 O ATOM 0 H ASP B 31 12.108 11.274 -1.467 1.00 0.24 H new ATOM 0 HA ASP B 31 12.687 9.327 -3.413 1.00 0.25 H new ATOM 0 HB2 ASP B 31 14.296 11.023 -2.744 1.00 0.31 H new ATOM 0 HB3 ASP B 31 14.295 10.445 -1.090 1.00 0.31 H new ATOM 1584 N SER B 32 12.386 8.253 -0.326 1.00 0.24 N ATOM 1585 CA SER B 32 12.230 7.065 0.497 1.00 0.24 C ATOM 1586 C SER B 32 11.055 6.223 -0.008 1.00 0.20 C ATOM 1587 O SER B 32 11.080 4.996 0.059 1.00 0.23 O ATOM 1588 CB SER B 32 12.022 7.467 1.961 1.00 0.26 C ATOM 1589 OG SER B 32 12.181 6.361 2.832 1.00 0.92 O ATOM 0 H SER B 32 12.208 9.130 0.164 1.00 0.24 H new ATOM 0 HA SER B 32 13.136 6.462 0.429 1.00 0.24 H new ATOM 0 HB2 SER B 32 12.734 8.248 2.229 1.00 0.26 H new ATOM 0 HB3 SER B 32 11.025 7.889 2.085 1.00 0.26 H new ATOM 0 HG SER B 32 11.300 6.025 3.098 1.00 0.92 H new ATOM 1595 N LEU B 33 10.031 6.891 -0.528 1.00 0.17 N ATOM 1596 CA LEU B 33 8.895 6.199 -1.127 1.00 0.15 C ATOM 1597 C LEU B 33 9.285 5.596 -2.470 1.00 0.14 C ATOM 1598 O LEU B 33 8.811 4.522 -2.841 1.00 0.13 O ATOM 1599 CB LEU B 33 7.713 7.152 -1.308 1.00 0.16 C ATOM 1600 CG LEU B 33 7.138 7.735 -0.017 1.00 0.18 C ATOM 1601 CD1 LEU B 33 5.988 8.680 -0.333 1.00 0.21 C ATOM 1602 CD2 LEU B 33 6.683 6.621 0.915 1.00 0.19 C ATOM 0 H LEU B 33 9.964 7.909 -0.547 1.00 0.17 H new ATOM 0 HA LEU B 33 8.596 5.397 -0.453 1.00 0.15 H new ATOM 0 HB2 LEU B 33 8.027 7.975 -1.950 1.00 0.16 H new ATOM 0 HB3 LEU B 33 6.918 6.623 -1.833 1.00 0.16 H new ATOM 0 HG LEU B 33 7.919 8.302 0.489 1.00 0.18 H new ATOM 0 HD11 LEU B 33 5.587 9.088 0.595 1.00 0.21 H new ATOM 0 HD12 LEU B 33 6.348 9.494 -0.962 1.00 0.21 H new ATOM 0 HD13 LEU B 33 5.203 8.135 -0.858 1.00 0.21 H new ATOM 0 HD21 LEU B 33 6.277 7.054 1.829 1.00 0.19 H new ATOM 0 HD22 LEU B 33 5.914 6.026 0.422 1.00 0.19 H new ATOM 0 HD23 LEU B 33 7.532 5.984 1.162 1.00 0.19 H new ATOM 1614 N ASN B 34 10.157 6.292 -3.189 1.00 0.15 N ATOM 1615 CA ASN B 34 10.650 5.807 -4.474 1.00 0.16 C ATOM 1616 C ASN B 34 11.364 4.474 -4.310 1.00 0.16 C ATOM 1617 O ASN B 34 11.040 3.503 -4.995 1.00 0.17 O ATOM 1618 CB ASN B 34 11.587 6.827 -5.128 1.00 0.18 C ATOM 1619 CG ASN B 34 10.849 7.858 -5.963 1.00 0.18 C ATOM 1620 OD1 ASN B 34 10.611 7.652 -7.152 1.00 0.18 O ATOM 1621 ND2 ASN B 34 10.483 8.975 -5.357 1.00 0.21 N ATOM 0 H ASN B 34 10.538 7.194 -2.905 1.00 0.15 H new ATOM 0 HA ASN B 34 9.788 5.666 -5.125 1.00 0.16 H new ATOM 0 HB2 ASN B 34 12.159 7.337 -4.353 1.00 0.18 H new ATOM 0 HB3 ASN B 34 12.304 6.302 -5.759 1.00 0.18 H new ATOM 0 HD21 ASN B 34 9.987 9.699 -5.877 1.00 0.21 H new ATOM 0 HD22 ASN B 34 10.697 9.113 -4.369 1.00 0.21 H new ATOM 1628 N VAL B 35 12.311 4.416 -3.380 1.00 0.18 N ATOM 1629 CA VAL B 35 13.058 3.187 -3.141 1.00 0.20 C ATOM 1630 C VAL B 35 12.156 2.113 -2.538 1.00 0.18 C ATOM 1631 O VAL B 35 12.378 0.918 -2.742 1.00 0.21 O ATOM 1632 CB VAL B 35 14.282 3.418 -2.225 1.00 0.23 C ATOM 1633 CG1 VAL B 35 15.230 4.425 -2.849 1.00 0.26 C ATOM 1634 CG2 VAL B 35 13.858 3.880 -0.840 1.00 0.23 C ATOM 0 H VAL B 35 12.578 5.199 -2.784 1.00 0.18 H new ATOM 0 HA VAL B 35 13.424 2.847 -4.110 1.00 0.20 H new ATOM 0 HB VAL B 35 14.801 2.466 -2.117 1.00 0.23 H new ATOM 0 HG11 VAL B 35 16.086 4.575 -2.191 1.00 0.26 H new ATOM 0 HG12 VAL B 35 15.575 4.051 -3.813 1.00 0.26 H new ATOM 0 HG13 VAL B 35 14.711 5.373 -2.992 1.00 0.26 H new ATOM 0 HG21 VAL B 35 14.742 4.033 -0.221 1.00 0.23 H new ATOM 0 HG22 VAL B 35 13.306 4.816 -0.922 1.00 0.23 H new ATOM 0 HG23 VAL B 35 13.222 3.122 -0.383 1.00 0.23 H new ATOM 1644 N ALA B 36 11.132 2.545 -1.806 1.00 0.17 N ATOM 1645 CA ALA B 36 10.152 1.626 -1.247 1.00 0.17 C ATOM 1646 C ALA B 36 9.409 0.903 -2.362 1.00 0.15 C ATOM 1647 O ALA B 36 9.306 -0.323 -2.355 1.00 0.16 O ATOM 1648 CB ALA B 36 9.169 2.366 -0.351 1.00 0.18 C ATOM 0 H ALA B 36 10.962 3.527 -1.588 1.00 0.17 H new ATOM 0 HA ALA B 36 10.680 0.889 -0.642 1.00 0.17 H new ATOM 0 HB1 ALA B 36 8.445 1.660 0.056 1.00 0.18 H new ATOM 0 HB2 ALA B 36 9.710 2.843 0.466 1.00 0.18 H new ATOM 0 HB3 ALA B 36 8.647 3.126 -0.933 1.00 0.18 H new ATOM 1654 N MET B 37 8.909 1.671 -3.327 1.00 0.14 N ATOM 1655 CA MET B 37 8.189 1.117 -4.463 1.00 0.15 C ATOM 1656 C MET B 37 9.051 0.136 -5.249 1.00 0.15 C ATOM 1657 O MET B 37 8.554 -0.884 -5.723 1.00 0.18 O ATOM 1658 CB MET B 37 7.707 2.239 -5.380 1.00 0.16 C ATOM 1659 CG MET B 37 6.594 3.080 -4.780 1.00 0.16 C ATOM 1660 SD MET B 37 5.973 4.338 -5.916 1.00 0.21 S ATOM 1661 CE MET B 37 7.408 5.393 -6.094 1.00 0.19 C ATOM 0 H MET B 37 8.992 2.687 -3.341 1.00 0.14 H new ATOM 0 HA MET B 37 7.328 0.572 -4.076 1.00 0.15 H new ATOM 0 HB2 MET B 37 8.550 2.886 -5.622 1.00 0.16 H new ATOM 0 HB3 MET B 37 7.358 1.806 -6.318 1.00 0.16 H new ATOM 0 HG2 MET B 37 5.772 2.428 -4.484 1.00 0.16 H new ATOM 0 HG3 MET B 37 6.959 3.564 -3.874 1.00 0.16 H new ATOM 0 HE1 MET B 37 7.162 6.235 -6.741 1.00 0.19 H new ATOM 0 HE2 MET B 37 7.711 5.764 -5.115 1.00 0.19 H new ATOM 0 HE3 MET B 37 8.226 4.823 -6.535 1.00 0.19 H new ATOM 1671 N ASP B 38 10.339 0.444 -5.376 1.00 0.18 N ATOM 1672 CA ASP B 38 11.272 -0.440 -6.072 1.00 0.23 C ATOM 1673 C ASP B 38 11.379 -1.785 -5.367 1.00 0.19 C ATOM 1674 O ASP B 38 11.394 -2.833 -6.012 1.00 0.23 O ATOM 1675 CB ASP B 38 12.660 0.197 -6.189 1.00 0.34 C ATOM 1676 CG ASP B 38 12.851 0.940 -7.496 1.00 0.90 C ATOM 1677 OD1 ASP B 38 13.024 0.277 -8.540 1.00 1.42 O ATOM 1678 OD2 ASP B 38 12.827 2.189 -7.490 1.00 1.68 O ATOM 0 H ASP B 38 10.760 1.297 -5.007 1.00 0.18 H new ATOM 0 HA ASP B 38 10.879 -0.600 -7.076 1.00 0.23 H new ATOM 0 HB2 ASP B 38 12.811 0.886 -5.358 1.00 0.34 H new ATOM 0 HB3 ASP B 38 13.421 -0.579 -6.102 1.00 0.34 H new ATOM 1683 N CYS B 39 11.435 -1.750 -4.043 1.00 0.18 N ATOM 1684 CA CYS B 39 11.511 -2.970 -3.252 1.00 0.18 C ATOM 1685 C CYS B 39 10.216 -3.772 -3.378 1.00 0.16 C ATOM 1686 O CYS B 39 10.230 -5.004 -3.390 1.00 0.19 O ATOM 1687 CB CYS B 39 11.784 -2.634 -1.785 1.00 0.21 C ATOM 1688 SG CYS B 39 13.288 -1.665 -1.518 1.00 0.27 S ATOM 0 H CYS B 39 11.429 -0.890 -3.494 1.00 0.18 H new ATOM 0 HA CYS B 39 12.333 -3.577 -3.632 1.00 0.18 H new ATOM 0 HB2 CYS B 39 10.933 -2.082 -1.385 1.00 0.21 H new ATOM 0 HB3 CYS B 39 11.857 -3.562 -1.218 1.00 0.21 H new ATOM 0 HG CYS B 39 13.113 -0.459 -1.970 1.00 0.27 H new ATOM 1694 N ILE B 40 9.100 -3.063 -3.490 1.00 0.14 N ATOM 1695 CA ILE B 40 7.799 -3.701 -3.643 1.00 0.14 C ATOM 1696 C ILE B 40 7.689 -4.379 -5.007 1.00 0.16 C ATOM 1697 O ILE B 40 7.282 -5.540 -5.106 1.00 0.16 O ATOM 1698 CB ILE B 40 6.652 -2.679 -3.479 1.00 0.13 C ATOM 1699 CG1 ILE B 40 6.723 -2.016 -2.099 1.00 0.14 C ATOM 1700 CG2 ILE B 40 5.302 -3.358 -3.672 1.00 0.16 C ATOM 1701 CD1 ILE B 40 5.742 -0.878 -1.916 1.00 0.16 C ATOM 0 H ILE B 40 9.070 -2.044 -3.478 1.00 0.14 H new ATOM 0 HA ILE B 40 7.709 -4.454 -2.860 1.00 0.14 H new ATOM 0 HB ILE B 40 6.763 -1.908 -4.242 1.00 0.13 H new ATOM 0 HG12 ILE B 40 6.537 -2.770 -1.334 1.00 0.14 H new ATOM 0 HG13 ILE B 40 7.734 -1.641 -1.938 1.00 0.14 H new ATOM 0 HG21 ILE B 40 4.505 -2.624 -3.553 1.00 0.16 H new ATOM 0 HG22 ILE B 40 5.251 -3.790 -4.672 1.00 0.16 H new ATOM 0 HG23 ILE B 40 5.182 -4.147 -2.930 1.00 0.16 H new ATOM 0 HD11 ILE B 40 5.852 -0.460 -0.915 1.00 0.16 H new ATOM 0 HD12 ILE B 40 5.941 -0.104 -2.657 1.00 0.16 H new ATOM 0 HD13 ILE B 40 4.725 -1.250 -2.044 1.00 0.16 H new ATOM 1713 N SER B 41 8.074 -3.661 -6.057 1.00 0.21 N ATOM 1714 CA SER B 41 8.003 -4.191 -7.409 1.00 0.28 C ATOM 1715 C SER B 41 8.962 -5.364 -7.591 1.00 0.30 C ATOM 1716 O SER B 41 8.643 -6.331 -8.280 1.00 0.34 O ATOM 1717 CB SER B 41 8.289 -3.088 -8.431 1.00 0.37 C ATOM 1718 OG SER B 41 9.443 -2.340 -8.085 1.00 1.13 O ATOM 0 H SER B 41 8.438 -2.710 -5.995 1.00 0.21 H new ATOM 0 HA SER B 41 6.992 -4.561 -7.576 1.00 0.28 H new ATOM 0 HB2 SER B 41 8.425 -3.532 -9.417 1.00 0.37 H new ATOM 0 HB3 SER B 41 7.429 -2.421 -8.497 1.00 0.37 H new ATOM 0 HG SER B 41 9.941 -2.812 -7.386 1.00 1.13 H new ATOM 1724 N GLU B 42 10.126 -5.271 -6.960 1.00 0.32 N ATOM 1725 CA GLU B 42 11.113 -6.345 -6.997 1.00 0.38 C ATOM 1726 C GLU B 42 10.556 -7.616 -6.357 1.00 0.32 C ATOM 1727 O GLU B 42 10.805 -8.723 -6.832 1.00 0.44 O ATOM 1728 CB GLU B 42 12.389 -5.907 -6.273 1.00 0.46 C ATOM 1729 CG GLU B 42 13.527 -6.913 -6.361 1.00 0.60 C ATOM 1730 CD GLU B 42 13.938 -7.203 -7.788 1.00 1.45 C ATOM 1731 OE1 GLU B 42 14.510 -6.305 -8.439 1.00 2.00 O ATOM 1732 OE2 GLU B 42 13.690 -8.330 -8.268 1.00 2.23 O ATOM 0 H GLU B 42 10.411 -4.458 -6.413 1.00 0.32 H new ATOM 0 HA GLU B 42 11.349 -6.561 -8.039 1.00 0.38 H new ATOM 0 HB2 GLU B 42 12.724 -4.958 -6.691 1.00 0.46 H new ATOM 0 HB3 GLU B 42 12.156 -5.729 -5.223 1.00 0.46 H new ATOM 0 HG2 GLU B 42 14.387 -6.533 -5.809 1.00 0.60 H new ATOM 0 HG3 GLU B 42 13.224 -7.842 -5.878 1.00 0.60 H new ATOM 1739 N ALA B 43 9.782 -7.444 -5.293 1.00 0.19 N ATOM 1740 CA ALA B 43 9.239 -8.573 -4.547 1.00 0.17 C ATOM 1741 C ALA B 43 8.224 -9.367 -5.364 1.00 0.17 C ATOM 1742 O ALA B 43 8.330 -10.588 -5.476 1.00 0.25 O ATOM 1743 CB ALA B 43 8.607 -8.091 -3.251 1.00 0.20 C ATOM 0 H ALA B 43 9.515 -6.530 -4.926 1.00 0.19 H new ATOM 0 HA ALA B 43 10.069 -9.242 -4.319 1.00 0.17 H new ATOM 0 HB1 ALA B 43 8.205 -8.943 -2.703 1.00 0.20 H new ATOM 0 HB2 ALA B 43 9.361 -7.591 -2.643 1.00 0.20 H new ATOM 0 HB3 ALA B 43 7.801 -7.392 -3.477 1.00 0.20 H new ATOM 1749 N PHE B 44 7.242 -8.678 -5.934 1.00 0.19 N ATOM 1750 CA PHE B 44 6.156 -9.358 -6.639 1.00 0.25 C ATOM 1751 C PHE B 44 6.417 -9.454 -8.142 1.00 0.30 C ATOM 1752 O PHE B 44 5.659 -10.094 -8.875 1.00 0.35 O ATOM 1753 CB PHE B 44 4.823 -8.655 -6.380 1.00 0.27 C ATOM 1754 CG PHE B 44 4.453 -8.592 -4.927 1.00 0.26 C ATOM 1755 CD1 PHE B 44 3.975 -9.713 -4.270 1.00 1.15 C ATOM 1756 CD2 PHE B 44 4.586 -7.411 -4.218 1.00 1.10 C ATOM 1757 CE1 PHE B 44 3.637 -9.654 -2.932 1.00 1.15 C ATOM 1758 CE2 PHE B 44 4.249 -7.348 -2.882 1.00 1.12 C ATOM 1759 CZ PHE B 44 3.774 -8.471 -2.238 1.00 0.31 C ATOM 0 H PHE B 44 7.173 -7.660 -5.924 1.00 0.19 H new ATOM 0 HA PHE B 44 6.107 -10.374 -6.248 1.00 0.25 H new ATOM 0 HB2 PHE B 44 4.872 -7.642 -6.779 1.00 0.27 H new ATOM 0 HB3 PHE B 44 4.035 -9.174 -6.925 1.00 0.27 H new ATOM 0 HD1 PHE B 44 3.865 -10.643 -4.809 1.00 1.15 H new ATOM 0 HD2 PHE B 44 4.958 -6.528 -4.717 1.00 1.10 H new ATOM 0 HE1 PHE B 44 3.265 -10.535 -2.430 1.00 1.15 H new ATOM 0 HE2 PHE B 44 4.357 -6.420 -2.341 1.00 1.12 H new ATOM 0 HZ PHE B 44 3.510 -8.424 -1.192 1.00 0.31 H new ATOM 1769 N GLY B 45 7.481 -8.802 -8.592 1.00 0.29 N ATOM 1770 CA GLY B 45 7.898 -8.904 -9.980 1.00 0.35 C ATOM 1771 C GLY B 45 6.970 -8.181 -10.934 1.00 0.37 C ATOM 1772 O GLY B 45 6.588 -8.730 -11.966 1.00 0.43 O ATOM 0 H GLY B 45 8.068 -8.199 -8.016 1.00 0.29 H new ATOM 0 HA2 GLY B 45 8.904 -8.496 -10.082 1.00 0.35 H new ATOM 0 HA3 GLY B 45 7.951 -9.956 -10.261 1.00 0.35 H new ATOM 1776 N PHE B 46 6.623 -6.947 -10.607 1.00 0.36 N ATOM 1777 CA PHE B 46 5.704 -6.178 -11.435 1.00 0.39 C ATOM 1778 C PHE B 46 6.221 -4.757 -11.630 1.00 0.39 C ATOM 1779 O PHE B 46 7.129 -4.315 -10.926 1.00 0.40 O ATOM 1780 CB PHE B 46 4.301 -6.155 -10.809 1.00 0.36 C ATOM 1781 CG PHE B 46 4.181 -5.298 -9.580 1.00 0.30 C ATOM 1782 CD1 PHE B 46 4.743 -5.697 -8.379 1.00 1.17 C ATOM 1783 CD2 PHE B 46 3.504 -4.091 -9.628 1.00 1.27 C ATOM 1784 CE1 PHE B 46 4.632 -4.908 -7.251 1.00 1.17 C ATOM 1785 CE2 PHE B 46 3.389 -3.299 -8.504 1.00 1.26 C ATOM 1786 CZ PHE B 46 3.954 -3.709 -7.313 1.00 0.21 C ATOM 0 H PHE B 46 6.961 -6.457 -9.779 1.00 0.36 H new ATOM 0 HA PHE B 46 5.639 -6.660 -12.410 1.00 0.39 H new ATOM 0 HB2 PHE B 46 3.590 -5.800 -11.555 1.00 0.36 H new ATOM 0 HB3 PHE B 46 4.014 -7.175 -10.555 1.00 0.36 H new ATOM 0 HD1 PHE B 46 5.274 -6.636 -8.324 1.00 1.17 H new ATOM 0 HD2 PHE B 46 3.060 -3.765 -10.557 1.00 1.27 H new ATOM 0 HE1 PHE B 46 5.076 -5.230 -6.321 1.00 1.17 H new ATOM 0 HE2 PHE B 46 2.858 -2.360 -8.556 1.00 1.26 H new ATOM 0 HZ PHE B 46 3.865 -3.092 -6.431 1.00 0.21 H new ATOM 1796 N GLU B 47 5.642 -4.057 -12.593 1.00 0.41 N ATOM 1797 CA GLU B 47 6.024 -2.684 -12.893 1.00 0.44 C ATOM 1798 C GLU B 47 5.056 -1.715 -12.227 1.00 0.40 C ATOM 1799 O GLU B 47 3.873 -2.017 -12.079 1.00 0.39 O ATOM 1800 CB GLU B 47 6.016 -2.467 -14.403 1.00 0.53 C ATOM 1801 CG GLU B 47 6.990 -3.359 -15.151 1.00 0.59 C ATOM 1802 CD GLU B 47 6.893 -3.179 -16.650 1.00 1.14 C ATOM 1803 OE1 GLU B 47 7.516 -2.233 -17.178 1.00 1.55 O ATOM 1804 OE2 GLU B 47 6.185 -3.972 -17.306 1.00 1.92 O ATOM 0 H GLU B 47 4.897 -4.422 -13.187 1.00 0.41 H new ATOM 0 HA GLU B 47 7.027 -2.502 -12.508 1.00 0.44 H new ATOM 0 HB2 GLU B 47 5.009 -2.645 -14.782 1.00 0.53 H new ATOM 0 HB3 GLU B 47 6.256 -1.425 -14.613 1.00 0.53 H new ATOM 0 HG2 GLU B 47 8.006 -3.138 -14.825 1.00 0.59 H new ATOM 0 HG3 GLU B 47 6.794 -4.401 -14.898 1.00 0.59 H new ATOM 1811 N ARG B 48 5.548 -0.534 -11.859 1.00 0.41 N ATOM 1812 CA ARG B 48 4.750 0.415 -11.091 1.00 0.40 C ATOM 1813 C ARG B 48 3.808 1.181 -12.007 1.00 0.41 C ATOM 1814 O ARG B 48 2.816 1.746 -11.561 1.00 0.43 O ATOM 1815 CB ARG B 48 5.634 1.403 -10.319 1.00 0.44 C ATOM 1816 CG ARG B 48 6.438 0.776 -9.187 1.00 0.61 C ATOM 1817 CD ARG B 48 7.688 0.074 -9.693 1.00 0.91 C ATOM 1818 NE ARG B 48 8.640 1.012 -10.283 1.00 1.19 N ATOM 1819 CZ ARG B 48 9.958 0.951 -10.099 1.00 1.88 C ATOM 1820 NH1 ARG B 48 10.489 -0.025 -9.372 1.00 2.57 N ATOM 1821 NH2 ARG B 48 10.744 1.865 -10.653 1.00 2.20 N ATOM 0 H ARG B 48 6.491 -0.214 -12.080 1.00 0.41 H new ATOM 0 HA ARG B 48 4.168 -0.158 -10.369 1.00 0.40 H new ATOM 0 HB2 ARG B 48 6.323 1.878 -11.018 1.00 0.44 H new ATOM 0 HB3 ARG B 48 5.003 2.191 -9.907 1.00 0.44 H new ATOM 0 HG2 ARG B 48 6.721 1.549 -8.473 1.00 0.61 H new ATOM 0 HG3 ARG B 48 5.813 0.061 -8.652 1.00 0.61 H new ATOM 0 HD2 ARG B 48 8.165 -0.457 -8.869 1.00 0.91 H new ATOM 0 HD3 ARG B 48 7.409 -0.674 -10.435 1.00 0.91 H new ATOM 0 HE ARG B 48 8.273 1.760 -10.872 1.00 1.19 H new ATOM 0 HH11 ARG B 48 9.887 -0.733 -8.951 1.00 2.57 H new ATOM 0 HH12 ARG B 48 11.499 -0.067 -9.234 1.00 2.57 H new ATOM 0 HH21 ARG B 48 10.339 2.611 -11.218 1.00 2.20 H new ATOM 0 HH22 ARG B 48 11.754 1.821 -10.514 1.00 2.20 H new ATOM 1835 N GLU B 49 4.135 1.207 -13.291 1.00 0.42 N ATOM 1836 CA GLU B 49 3.317 1.909 -14.269 1.00 0.46 C ATOM 1837 C GLU B 49 2.302 0.966 -14.903 1.00 0.43 C ATOM 1838 O GLU B 49 1.416 1.389 -15.647 1.00 0.46 O ATOM 1839 CB GLU B 49 4.204 2.540 -15.342 1.00 0.57 C ATOM 1840 CG GLU B 49 5.196 3.546 -14.784 1.00 1.14 C ATOM 1841 CD GLU B 49 6.008 4.227 -15.861 1.00 1.54 C ATOM 1842 OE1 GLU B 49 7.089 3.712 -16.220 1.00 2.04 O ATOM 1843 OE2 GLU B 49 5.574 5.288 -16.353 1.00 2.24 O ATOM 0 H GLU B 49 4.960 0.750 -13.679 1.00 0.42 H new ATOM 0 HA GLU B 49 2.770 2.700 -13.756 1.00 0.46 H new ATOM 0 HB2 GLU B 49 4.749 1.753 -15.863 1.00 0.57 H new ATOM 0 HB3 GLU B 49 3.573 3.033 -16.081 1.00 0.57 H new ATOM 0 HG2 GLU B 49 4.658 4.300 -14.210 1.00 1.14 H new ATOM 0 HG3 GLU B 49 5.870 3.040 -14.093 1.00 1.14 H new ATOM 1850 N ALA B 50 2.429 -0.318 -14.593 1.00 0.41 N ATOM 1851 CA ALA B 50 1.527 -1.326 -15.130 1.00 0.42 C ATOM 1852 C ALA B 50 0.356 -1.556 -14.185 1.00 0.37 C ATOM 1853 O ALA B 50 -0.507 -2.397 -14.436 1.00 0.41 O ATOM 1854 CB ALA B 50 2.277 -2.627 -15.375 1.00 0.48 C ATOM 0 H ALA B 50 3.149 -0.685 -13.971 1.00 0.41 H new ATOM 0 HA ALA B 50 1.133 -0.966 -16.081 1.00 0.42 H new ATOM 0 HB1 ALA B 50 1.591 -3.373 -15.777 1.00 0.48 H new ATOM 0 HB2 ALA B 50 3.083 -2.454 -16.088 1.00 0.48 H new ATOM 0 HB3 ALA B 50 2.696 -2.988 -14.436 1.00 0.48 H new ATOM 1860 N VAL B 51 0.348 -0.802 -13.090 1.00 0.33 N ATOM 1861 CA VAL B 51 -0.701 -0.898 -12.078 1.00 0.31 C ATOM 1862 C VAL B 51 -2.104 -0.813 -12.673 1.00 0.36 C ATOM 1863 O VAL B 51 -3.008 -1.496 -12.210 1.00 0.41 O ATOM 1864 CB VAL B 51 -0.551 0.186 -10.990 1.00 0.29 C ATOM 1865 CG1 VAL B 51 0.736 -0.019 -10.217 1.00 0.26 C ATOM 1866 CG2 VAL B 51 -0.596 1.583 -11.593 1.00 0.33 C ATOM 0 H VAL B 51 1.066 -0.109 -12.879 1.00 0.33 H new ATOM 0 HA VAL B 51 -0.577 -1.882 -11.627 1.00 0.31 H new ATOM 0 HB VAL B 51 -1.392 0.093 -10.302 1.00 0.29 H new ATOM 0 HG11 VAL B 51 0.828 0.753 -9.453 1.00 0.26 H new ATOM 0 HG12 VAL B 51 0.723 -1.000 -9.742 1.00 0.26 H new ATOM 0 HG13 VAL B 51 1.584 0.042 -10.899 1.00 0.26 H new ATOM 0 HG21 VAL B 51 -0.488 2.325 -10.802 1.00 0.33 H new ATOM 0 HG22 VAL B 51 0.217 1.696 -12.310 1.00 0.33 H new ATOM 0 HG23 VAL B 51 -1.550 1.730 -12.100 1.00 0.33 H new ATOM 1876 N SER B 52 -2.282 0.009 -13.699 1.00 0.37 N ATOM 1877 CA SER B 52 -3.586 0.170 -14.328 1.00 0.45 C ATOM 1878 C SER B 52 -4.066 -1.150 -14.929 1.00 0.47 C ATOM 1879 O SER B 52 -5.219 -1.547 -14.742 1.00 0.50 O ATOM 1880 CB SER B 52 -3.509 1.260 -15.397 1.00 0.53 C ATOM 1881 OG SER B 52 -2.326 1.123 -16.168 1.00 1.25 O ATOM 0 H SER B 52 -1.540 0.574 -14.113 1.00 0.37 H new ATOM 0 HA SER B 52 -4.310 0.470 -13.570 1.00 0.45 H new ATOM 0 HB2 SER B 52 -4.382 1.201 -16.047 1.00 0.53 H new ATOM 0 HB3 SER B 52 -3.529 2.242 -14.924 1.00 0.53 H new ATOM 0 HG SER B 52 -2.295 1.828 -16.848 1.00 1.25 H new ATOM 1887 N GLY B 53 -3.171 -1.818 -15.649 1.00 0.50 N ATOM 1888 CA GLY B 53 -3.471 -3.123 -16.212 1.00 0.57 C ATOM 1889 C GLY B 53 -3.899 -4.132 -15.162 1.00 0.54 C ATOM 1890 O GLY B 53 -4.808 -4.928 -15.393 1.00 0.59 O ATOM 0 H GLY B 53 -2.233 -1.475 -15.855 1.00 0.50 H new ATOM 0 HA2 GLY B 53 -4.262 -3.020 -16.954 1.00 0.57 H new ATOM 0 HA3 GLY B 53 -2.591 -3.499 -16.734 1.00 0.57 H new ATOM 1894 N ILE B 54 -3.244 -4.102 -14.008 1.00 0.50 N ATOM 1895 CA ILE B 54 -3.577 -5.006 -12.913 1.00 0.51 C ATOM 1896 C ILE B 54 -4.868 -4.574 -12.217 1.00 0.50 C ATOM 1897 O ILE B 54 -5.812 -5.351 -12.100 1.00 0.57 O ATOM 1898 CB ILE B 54 -2.437 -5.070 -11.871 1.00 0.49 C ATOM 1899 CG1 ILE B 54 -1.119 -5.451 -12.553 1.00 0.48 C ATOM 1900 CG2 ILE B 54 -2.779 -6.068 -10.767 1.00 0.55 C ATOM 1901 CD1 ILE B 54 0.090 -5.347 -11.647 1.00 0.48 C ATOM 0 H ILE B 54 -2.478 -3.460 -13.805 1.00 0.50 H new ATOM 0 HA ILE B 54 -3.717 -5.996 -13.348 1.00 0.51 H new ATOM 0 HB ILE B 54 -2.321 -4.085 -11.418 1.00 0.49 H new ATOM 0 HG12 ILE B 54 -1.195 -6.472 -12.926 1.00 0.48 H new ATOM 0 HG13 ILE B 54 -0.969 -4.806 -13.419 1.00 0.48 H new ATOM 0 HG21 ILE B 54 -1.966 -6.101 -10.042 1.00 0.55 H new ATOM 0 HG22 ILE B 54 -3.698 -5.759 -10.269 1.00 0.55 H new ATOM 0 HG23 ILE B 54 -2.918 -7.058 -11.202 1.00 0.55 H new ATOM 0 HD11 ILE B 54 0.985 -5.632 -12.200 1.00 0.48 H new ATOM 0 HD12 ILE B 54 0.193 -4.321 -11.294 1.00 0.48 H new ATOM 0 HD13 ILE B 54 -0.037 -6.013 -10.793 1.00 0.48 H new ATOM 1913 N LEU B 55 -4.899 -3.324 -11.771 1.00 0.46 N ATOM 1914 CA LEU B 55 -6.034 -2.797 -11.020 1.00 0.48 C ATOM 1915 C LEU B 55 -7.327 -2.860 -11.829 1.00 0.55 C ATOM 1916 O LEU B 55 -8.373 -3.220 -11.297 1.00 0.65 O ATOM 1917 CB LEU B 55 -5.761 -1.358 -10.573 1.00 0.48 C ATOM 1918 CG LEU B 55 -4.576 -1.194 -9.615 1.00 0.46 C ATOM 1919 CD1 LEU B 55 -4.368 0.270 -9.266 1.00 0.51 C ATOM 1920 CD2 LEU B 55 -4.788 -2.017 -8.354 1.00 0.45 C ATOM 0 H LEU B 55 -4.146 -2.652 -11.917 1.00 0.46 H new ATOM 0 HA LEU B 55 -6.162 -3.426 -10.139 1.00 0.48 H new ATOM 0 HB2 LEU B 55 -5.582 -0.746 -11.457 1.00 0.48 H new ATOM 0 HB3 LEU B 55 -6.657 -0.967 -10.090 1.00 0.48 H new ATOM 0 HG LEU B 55 -3.679 -1.558 -10.116 1.00 0.46 H new ATOM 0 HD11 LEU B 55 -3.522 0.365 -8.585 1.00 0.51 H new ATOM 0 HD12 LEU B 55 -4.167 0.836 -10.176 1.00 0.51 H new ATOM 0 HD13 LEU B 55 -5.266 0.661 -8.787 1.00 0.51 H new ATOM 0 HD21 LEU B 55 -3.936 -1.887 -7.687 1.00 0.45 H new ATOM 0 HD22 LEU B 55 -5.696 -1.685 -7.851 1.00 0.45 H new ATOM 0 HD23 LEU B 55 -4.884 -3.070 -8.619 1.00 0.45 H new