USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 417 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0971 K(o=-0.097,f=-1.8!) USER MOD Single : A 21 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.43) USER MOD Single : A 25 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.37) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= -0.0435 K(o=-0.044,f=-1.8!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -6.68! C(o=-6.7!,f=-9.3!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.033 X(o=-0.033,f=-0.0051) USER MOD Single : B 22 LYS NZ :NH3+ -168:sc= -0.245 (180deg=-0.486) USER MOD Single : B 24 GLN : amide:sc= -0.0568 K(o=-0.057,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -14.443 1.273 -3.721 1.00 0.00 N ATOM 66 CA LEU A 5 -13.719 0.945 -2.499 1.00 0.00 C ATOM 67 C LEU A 5 -13.421 -0.550 -2.430 1.00 0.00 C ATOM 68 O LEU A 5 -12.342 -0.958 -1.999 1.00 0.00 O ATOM 69 CB LEU A 5 -14.526 1.372 -1.272 1.00 0.00 C ATOM 70 CG LEU A 5 -14.955 2.840 -1.258 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.156 3.036 -0.347 1.00 0.00 C ATOM 72 CD2 LEU A 5 -13.800 3.728 -0.819 1.00 0.00 C ATOM 0 HA LEU A 5 -12.774 1.487 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.417 0.748 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.933 1.174 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.242 3.125 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.447 4.086 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.987 2.428 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.896 2.734 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.123 4.769 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.482 3.442 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.966 3.609 -1.511 1.00 0.00 H new ATOM 84 N GLU A 6 -14.383 -1.360 -2.856 1.00 0.00 N ATOM 85 CA GLU A 6 -14.224 -2.810 -2.844 1.00 0.00 C ATOM 86 C GLU A 6 -13.037 -3.235 -3.702 1.00 0.00 C ATOM 87 O GLU A 6 -12.391 -4.246 -3.427 1.00 0.00 O ATOM 88 CB GLU A 6 -15.499 -3.488 -3.349 1.00 0.00 C ATOM 89 CG GLU A 6 -16.684 -3.333 -2.408 1.00 0.00 C ATOM 90 CD GLU A 6 -17.222 -4.664 -1.921 1.00 0.00 C ATOM 91 OE1 GLU A 6 -17.057 -5.671 -2.642 1.00 0.00 O ATOM 92 OE2 GLU A 6 -17.807 -4.699 -0.819 1.00 0.00 O ATOM 0 H GLU A 6 -15.282 -1.038 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.037 -3.120 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.761 -3.072 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.301 -4.549 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.385 -2.731 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.479 -2.789 -2.918 1.00 0.00 H new ATOM 99 N LYS A 7 -12.756 -2.457 -4.742 1.00 0.00 N ATOM 100 CA LYS A 7 -11.647 -2.754 -5.641 1.00 0.00 C ATOM 101 C LYS A 7 -10.365 -2.075 -5.170 1.00 0.00 C ATOM 102 O LYS A 7 -9.263 -2.557 -5.435 1.00 0.00 O ATOM 103 CB LYS A 7 -11.979 -2.309 -7.067 1.00 0.00 C ATOM 104 CG LYS A 7 -13.410 -2.612 -7.486 1.00 0.00 C ATOM 105 CD LYS A 7 -13.458 -3.542 -8.688 1.00 0.00 C ATOM 106 CE LYS A 7 -13.177 -2.796 -9.981 1.00 0.00 C ATOM 107 NZ LYS A 7 -13.713 -3.518 -11.168 1.00 0.00 N ATOM 0 H LYS A 7 -13.281 -1.616 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.490 -3.833 -5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.804 -1.237 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.295 -2.800 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.945 -3.067 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.924 -1.681 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.727 -4.340 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.439 -4.014 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.621 -1.802 -9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.102 -2.659 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.500 -2.976 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.271 -4.457 -11.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.743 -3.626 -11.073 1.00 0.00 H new ATOM 121 N GLU A 8 -10.514 -0.954 -4.472 1.00 0.00 N ATOM 122 CA GLU A 8 -9.365 -0.215 -3.968 1.00 0.00 C ATOM 123 C GLU A 8 -8.530 -1.075 -3.024 1.00 0.00 C ATOM 124 O GLU A 8 -7.331 -0.850 -2.863 1.00 0.00 O ATOM 125 CB GLU A 8 -9.820 1.056 -3.256 1.00 0.00 C ATOM 126 CG GLU A 8 -8.741 2.123 -3.170 1.00 0.00 C ATOM 127 CD GLU A 8 -9.273 3.453 -2.672 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.387 3.839 -3.086 1.00 0.00 O ATOM 129 OE2 GLU A 8 -8.576 4.110 -1.871 1.00 0.00 O ATOM 0 H GLU A 8 -11.417 -0.539 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.743 0.060 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.684 1.466 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.148 0.801 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.949 1.781 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.293 2.261 -4.154 1.00 0.00 H new ATOM 136 N VAL A 9 -9.168 -2.067 -2.407 1.00 0.00 N ATOM 137 CA VAL A 9 -8.476 -2.961 -1.486 1.00 0.00 C ATOM 138 C VAL A 9 -7.598 -3.945 -2.251 1.00 0.00 C ATOM 139 O VAL A 9 -6.381 -3.968 -2.079 1.00 0.00 O ATOM 140 CB VAL A 9 -9.467 -3.743 -0.598 1.00 0.00 C ATOM 141 CG1 VAL A 9 -8.738 -4.760 0.272 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.275 -2.784 0.263 1.00 0.00 C ATOM 0 H VAL A 9 -10.160 -2.270 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.853 -2.340 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.150 -4.288 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.460 -5.297 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.206 -5.468 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.026 -4.244 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.970 -3.350 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.601 -2.212 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.834 -2.102 -0.378 1.00 0.00 H new ATOM 152 N ALA A 10 -8.222 -4.753 -3.103 1.00 0.00 N ATOM 153 CA ALA A 10 -7.491 -5.732 -3.900 1.00 0.00 C ATOM 154 C ALA A 10 -6.355 -5.064 -4.671 1.00 0.00 C ATOM 155 O ALA A 10 -5.363 -5.707 -5.017 1.00 0.00 O ATOM 156 CB ALA A 10 -8.435 -6.445 -4.857 1.00 0.00 C ATOM 0 H ALA A 10 -9.230 -4.749 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.057 -6.468 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.876 -7.173 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.211 -6.958 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.896 -5.716 -5.524 1.00 0.00 H new ATOM 162 N GLN A 11 -6.509 -3.770 -4.934 1.00 0.00 N ATOM 163 CA GLN A 11 -5.500 -3.010 -5.659 1.00 0.00 C ATOM 164 C GLN A 11 -4.271 -2.768 -4.786 1.00 0.00 C ATOM 165 O GLN A 11 -3.137 -2.900 -5.248 1.00 0.00 O ATOM 166 CB GLN A 11 -6.079 -1.674 -6.128 1.00 0.00 C ATOM 167 CG GLN A 11 -5.105 -0.841 -6.944 1.00 0.00 C ATOM 168 CD GLN A 11 -5.709 -0.340 -8.242 1.00 0.00 C ATOM 169 OE1 GLN A 11 -6.191 0.790 -8.321 1.00 0.00 O ATOM 170 NE2 GLN A 11 -5.687 -1.181 -9.269 1.00 0.00 N ATOM 0 H GLN A 11 -7.325 -3.226 -4.655 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.196 -3.592 -6.529 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.971 -1.864 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.395 -1.099 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.774 0.010 -6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.220 -1.438 -7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.277 -2.109 -9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.080 -0.899 -10.167 1.00 0.00 H new ATOM 179 N LEU A 12 -4.502 -2.414 -3.525 1.00 0.00 N ATOM 180 CA LEU A 12 -3.409 -2.155 -2.594 1.00 0.00 C ATOM 181 C LEU A 12 -2.943 -3.442 -1.922 1.00 0.00 C ATOM 182 O LEU A 12 -1.746 -3.700 -1.819 1.00 0.00 O ATOM 183 CB LEU A 12 -3.836 -1.139 -1.533 1.00 0.00 C ATOM 184 CG LEU A 12 -4.451 0.149 -2.081 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.154 0.919 -0.974 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.380 1.009 -2.734 1.00 0.00 C ATOM 0 H LEU A 12 -5.434 -2.300 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.577 -1.743 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.557 -1.613 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.966 -0.880 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.191 -0.115 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.585 1.832 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.946 0.303 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.435 1.174 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.832 1.923 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.619 1.264 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.920 0.457 -3.554 1.00 0.00 H new ATOM 198 N GLU A 13 -3.895 -4.248 -1.466 1.00 0.00 N ATOM 199 CA GLU A 13 -3.577 -5.509 -0.802 1.00 0.00 C ATOM 200 C GLU A 13 -2.594 -6.339 -1.629 1.00 0.00 C ATOM 201 O GLU A 13 -1.844 -7.149 -1.087 1.00 0.00 O ATOM 202 CB GLU A 13 -4.854 -6.311 -0.546 1.00 0.00 C ATOM 203 CG GLU A 13 -5.376 -6.182 0.876 1.00 0.00 C ATOM 204 CD GLU A 13 -6.541 -7.111 1.157 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.409 -7.259 0.271 1.00 0.00 O ATOM 206 OE2 GLU A 13 -6.585 -7.691 2.261 1.00 0.00 O ATOM 0 H GLU A 13 -4.893 -4.052 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.105 -5.275 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.627 -5.980 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.662 -7.362 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.569 -6.396 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.687 -5.152 1.053 1.00 0.00 H new ATOM 213 N ALA A 14 -2.605 -6.129 -2.941 1.00 0.00 N ATOM 214 CA ALA A 14 -1.715 -6.858 -3.838 1.00 0.00 C ATOM 215 C ALA A 14 -0.364 -6.159 -3.961 1.00 0.00 C ATOM 216 O ALA A 14 0.673 -6.809 -4.086 1.00 0.00 O ATOM 217 CB ALA A 14 -2.358 -7.012 -5.208 1.00 0.00 C ATOM 0 H ALA A 14 -3.219 -5.461 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.545 -7.848 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.683 -7.558 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.294 -7.562 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.558 -6.027 -5.629 1.00 0.00 H new ATOM 223 N GLU A 15 -0.385 -4.830 -3.926 1.00 0.00 N ATOM 224 CA GLU A 15 0.840 -4.043 -4.034 1.00 0.00 C ATOM 225 C GLU A 15 1.477 -3.831 -2.664 1.00 0.00 C ATOM 226 O GLU A 15 2.640 -4.172 -2.449 1.00 0.00 O ATOM 227 CB GLU A 15 0.546 -2.691 -4.687 1.00 0.00 C ATOM 228 CG GLU A 15 1.746 -2.082 -5.394 1.00 0.00 C ATOM 229 CD GLU A 15 1.723 -2.318 -6.890 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.846 -3.489 -7.308 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.582 -1.334 -7.645 1.00 0.00 O ATOM 0 H GLU A 15 -1.235 -4.276 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 15 1.542 -4.596 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.265 -2.813 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.194 -1.997 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.772 -1.010 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.661 -2.504 -4.978 1.00 0.00 H new ATOM 238 N ASN A 16 0.703 -3.269 -1.740 1.00 0.00 N ATOM 239 CA ASN A 16 1.182 -3.009 -0.386 1.00 0.00 C ATOM 240 C ASN A 16 1.870 -4.239 0.204 1.00 0.00 C ATOM 241 O ASN A 16 2.933 -4.134 0.816 1.00 0.00 O ATOM 242 CB ASN A 16 0.012 -2.585 0.507 1.00 0.00 C ATOM 243 CG ASN A 16 0.430 -2.341 1.943 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.602 -2.095 2.229 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.530 -2.409 2.855 1.00 0.00 N ATOM 0 H ASN A 16 -0.262 -2.984 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 16 1.914 -2.203 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.436 -1.677 0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.756 -3.358 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.310 -2.255 3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.488 -2.616 2.573 1.00 0.00 H new ATOM 252 N TYR A 17 1.257 -5.402 0.015 1.00 0.00 N ATOM 253 CA TYR A 17 1.811 -6.651 0.528 1.00 0.00 C ATOM 254 C TYR A 17 3.119 -6.999 -0.179 1.00 0.00 C ATOM 255 O TYR A 17 4.057 -7.498 0.443 1.00 0.00 O ATOM 256 CB TYR A 17 0.801 -7.789 0.353 1.00 0.00 C ATOM 257 CG TYR A 17 1.348 -9.152 0.719 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.177 -9.843 -0.155 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.036 -9.744 1.936 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.680 -11.088 0.173 1.00 0.00 C ATOM 261 CE2 TYR A 17 1.535 -10.988 2.272 1.00 0.00 C ATOM 262 CZ TYR A 17 2.357 -11.655 1.388 1.00 0.00 C ATOM 263 OH TYR A 17 2.855 -12.895 1.719 1.00 0.00 O ATOM 0 H TYR A 17 0.377 -5.507 -0.489 1.00 0.00 H new ATOM 0 HA TYR A 17 2.020 -6.519 1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.075 -7.582 0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.466 -7.809 -0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.433 -9.400 -1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.393 -9.224 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.322 -11.614 -0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.283 -11.436 3.222 1.00 0.00 H new ATOM 0 HH TYR A 17 2.533 -13.150 2.609 1.00 0.00 H new ATOM 273 N GLN A 18 3.171 -6.737 -1.480 1.00 0.00 N ATOM 274 CA GLN A 18 4.363 -7.028 -2.269 1.00 0.00 C ATOM 275 C GLN A 18 5.505 -6.079 -1.920 1.00 0.00 C ATOM 276 O GLN A 18 6.676 -6.430 -2.054 1.00 0.00 O ATOM 277 CB GLN A 18 4.044 -6.930 -3.763 1.00 0.00 C ATOM 278 CG GLN A 18 5.025 -7.684 -4.645 1.00 0.00 C ATOM 279 CD GLN A 18 4.374 -8.241 -5.896 1.00 0.00 C ATOM 280 OE1 GLN A 18 3.210 -7.963 -6.181 1.00 0.00 O ATOM 281 NE2 GLN A 18 5.126 -9.036 -6.650 1.00 0.00 N ATOM 0 H GLN A 18 2.403 -6.324 -2.010 1.00 0.00 H new ATOM 0 HA GLN A 18 4.680 -8.044 -2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.040 -7.317 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.037 -5.880 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.839 -7.017 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.467 -8.501 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.087 -9.240 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.742 -9.442 -7.503 1.00 0.00 H new ATOM 290 N LEU A 19 5.159 -4.875 -1.476 1.00 0.00 N ATOM 291 CA LEU A 19 6.160 -3.879 -1.113 1.00 0.00 C ATOM 292 C LEU A 19 6.525 -3.977 0.363 1.00 0.00 C ATOM 293 O LEU A 19 7.699 -3.971 0.722 1.00 0.00 O ATOM 294 CB LEU A 19 5.648 -2.476 -1.427 1.00 0.00 C ATOM 295 CG LEU A 19 5.454 -2.175 -2.914 1.00 0.00 C ATOM 296 CD1 LEU A 19 5.005 -0.735 -3.115 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.739 -2.448 -3.682 1.00 0.00 C ATOM 0 H LEU A 19 4.194 -4.566 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 19 7.056 -4.076 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.697 -2.330 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.347 -1.750 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 19 4.675 -2.832 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.872 -0.540 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.060 -0.573 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.760 -0.059 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.585 -2.229 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.537 -1.815 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.017 -3.495 -3.565 1.00 0.00 H new ATOM 309 N GLU A 20 5.512 -4.064 1.218 1.00 0.00 N ATOM 310 CA GLU A 20 5.733 -4.160 2.658 1.00 0.00 C ATOM 311 C GLU A 20 6.704 -5.290 2.991 1.00 0.00 C ATOM 312 O GLU A 20 7.378 -5.259 4.021 1.00 0.00 O ATOM 313 CB GLU A 20 4.407 -4.383 3.386 1.00 0.00 C ATOM 314 CG GLU A 20 4.450 -4.006 4.857 1.00 0.00 C ATOM 315 CD GLU A 20 3.606 -4.925 5.719 1.00 0.00 C ATOM 316 OE1 GLU A 20 4.021 -6.083 5.937 1.00 0.00 O ATOM 317 OE2 GLU A 20 2.529 -4.486 6.176 1.00 0.00 O ATOM 0 H GLU A 20 4.531 -4.070 0.940 1.00 0.00 H new ATOM 0 HA GLU A 20 6.171 -3.220 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.629 -3.800 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.125 -5.432 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.482 -4.034 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.101 -2.980 4.976 1.00 0.00 H new ATOM 324 N GLN A 21 6.772 -6.286 2.113 1.00 0.00 N ATOM 325 CA GLN A 21 7.661 -7.424 2.315 1.00 0.00 C ATOM 326 C GLN A 21 8.967 -7.243 1.547 1.00 0.00 C ATOM 327 O GLN A 21 10.000 -7.795 1.925 1.00 0.00 O ATOM 328 CB GLN A 21 6.975 -8.717 1.873 1.00 0.00 C ATOM 329 CG GLN A 21 7.412 -9.940 2.664 1.00 0.00 C ATOM 330 CD GLN A 21 8.778 -10.448 2.244 1.00 0.00 C ATOM 331 OE1 GLN A 21 9.703 -10.518 3.053 1.00 0.00 O ATOM 332 NE2 GLN A 21 8.911 -10.804 0.971 1.00 0.00 N ATOM 0 H GLN A 21 6.222 -6.328 1.255 1.00 0.00 H new ATOM 0 HA GLN A 21 7.892 -7.485 3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.896 -8.598 1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.182 -8.885 0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.430 -9.694 3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.677 -10.734 2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.117 -10.729 0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.807 -11.152 0.630 1.00 0.00 H new ATOM 341 N GLU A 22 8.917 -6.468 0.467 1.00 0.00 N ATOM 342 CA GLU A 22 10.102 -6.221 -0.349 1.00 0.00 C ATOM 343 C GLU A 22 10.874 -5.005 0.157 1.00 0.00 C ATOM 344 O GLU A 22 12.064 -4.855 -0.123 1.00 0.00 O ATOM 345 CB GLU A 22 9.705 -6.014 -1.811 1.00 0.00 C ATOM 346 CG GLU A 22 10.837 -6.282 -2.791 1.00 0.00 C ATOM 347 CD GLU A 22 11.751 -5.086 -2.967 1.00 0.00 C ATOM 348 OE1 GLU A 22 11.259 -4.021 -3.393 1.00 0.00 O ATOM 349 OE2 GLU A 22 12.959 -5.215 -2.678 1.00 0.00 O ATOM 0 H GLU A 22 8.072 -6.002 0.137 1.00 0.00 H new ATOM 0 HA GLU A 22 10.750 -7.094 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.867 -6.670 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.356 -4.990 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.422 -7.133 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.417 -6.559 -3.758 1.00 0.00 H new ATOM 356 N VAL A 23 10.193 -4.141 0.903 1.00 0.00 N ATOM 357 CA VAL A 23 10.818 -2.941 1.446 1.00 0.00 C ATOM 358 C VAL A 23 11.420 -3.214 2.820 1.00 0.00 C ATOM 359 O VAL A 23 12.416 -2.603 3.205 1.00 0.00 O ATOM 360 CB VAL A 23 9.809 -1.783 1.562 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.517 -0.490 1.942 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.032 -1.615 0.262 1.00 0.00 C ATOM 0 H VAL A 23 9.208 -4.250 1.145 1.00 0.00 H new ATOM 0 HA VAL A 23 11.609 -2.654 0.753 1.00 0.00 H new ATOM 0 HB VAL A 23 9.098 -2.025 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.787 0.316 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.018 -0.618 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.254 -0.240 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.325 -0.792 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.725 -1.398 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.490 -2.534 0.041 1.00 0.00 H new ATOM 372 N ALA A 24 10.808 -4.140 3.553 1.00 0.00 N ATOM 373 CA ALA A 24 11.283 -4.499 4.884 1.00 0.00 C ATOM 374 C ALA A 24 12.746 -4.928 4.846 1.00 0.00 C ATOM 375 O ALA A 24 13.477 -4.767 5.823 1.00 0.00 O ATOM 376 CB ALA A 24 10.421 -5.608 5.468 1.00 0.00 C ATOM 0 H ALA A 24 9.982 -4.655 3.247 1.00 0.00 H new ATOM 0 HA ALA A 24 11.206 -3.619 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.786 -5.867 6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.388 -5.267 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.471 -6.485 4.823 1.00 0.00 H new ATOM 382 N GLN A 25 13.167 -5.475 3.709 1.00 0.00 N ATOM 383 CA GLN A 25 14.543 -5.926 3.542 1.00 0.00 C ATOM 384 C GLN A 25 15.432 -4.786 3.058 1.00 0.00 C ATOM 385 O GLN A 25 16.573 -4.645 3.499 1.00 0.00 O ATOM 386 CB GLN A 25 14.604 -7.091 2.554 1.00 0.00 C ATOM 387 CG GLN A 25 13.715 -8.263 2.939 1.00 0.00 C ATOM 388 CD GLN A 25 13.155 -8.990 1.733 1.00 0.00 C ATOM 389 OE1 GLN A 25 13.285 -10.209 1.611 1.00 0.00 O ATOM 390 NE2 GLN A 25 12.526 -8.245 0.832 1.00 0.00 N ATOM 0 H GLN A 25 12.575 -5.616 2.891 1.00 0.00 H new ATOM 0 HA GLN A 25 14.910 -6.263 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.313 -6.734 1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.635 -7.437 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.287 -8.963 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.892 -7.903 3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.441 -7.238 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.128 -8.679 -0.001 1.00 0.00 H new ATOM 399 N LEU A 26 14.904 -3.973 2.146 1.00 0.00 N ATOM 400 CA LEU A 26 15.653 -2.847 1.603 1.00 0.00 C ATOM 401 C LEU A 26 16.061 -1.880 2.711 1.00 0.00 C ATOM 402 O LEU A 26 17.248 -1.666 2.955 1.00 0.00 O ATOM 403 CB LEU A 26 14.820 -2.118 0.549 1.00 0.00 C ATOM 404 CG LEU A 26 14.369 -2.982 -0.629 1.00 0.00 C ATOM 405 CD1 LEU A 26 13.148 -2.373 -1.302 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.502 -3.151 -1.628 1.00 0.00 C ATOM 0 H LEU A 26 13.962 -4.074 1.769 1.00 0.00 H new ATOM 0 HA LEU A 26 16.558 -3.233 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.937 -1.699 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.401 -1.280 0.164 1.00 0.00 H new ATOM 0 HG LEU A 26 14.095 -3.966 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.842 -3.002 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.332 -2.304 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.394 -1.376 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.164 -3.769 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.806 -2.173 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.349 -3.632 -1.139 1.00 0.00 H new ATOM 418 N GLU A 27 15.070 -1.296 3.377 1.00 0.00 N ATOM 419 CA GLU A 27 15.329 -0.351 4.458 1.00 0.00 C ATOM 420 C GLU A 27 15.424 -1.070 5.801 1.00 0.00 C ATOM 421 O GLU A 27 14.662 -0.787 6.726 1.00 0.00 O ATOM 422 CB GLU A 27 14.231 0.713 4.511 1.00 0.00 C ATOM 423 CG GLU A 27 12.827 0.135 4.590 1.00 0.00 C ATOM 424 CD GLU A 27 12.009 0.738 5.716 1.00 0.00 C ATOM 425 OE1 GLU A 27 11.663 1.935 5.623 1.00 0.00 O ATOM 426 OE2 GLU A 27 11.714 0.014 6.690 1.00 0.00 O ATOM 0 H GLU A 27 14.081 -1.460 3.188 1.00 0.00 H new ATOM 0 HA GLU A 27 16.284 0.134 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.400 1.355 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.306 1.345 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.315 0.305 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.890 -0.944 4.730 1.00 0.00 H new ATOM 513 N GLN B 3 -18.206 1.941 4.240 1.00 0.00 N ATOM 514 CA GLN B 3 -17.422 2.308 5.419 1.00 0.00 C ATOM 515 C GLN B 3 -16.362 1.261 5.762 1.00 0.00 C ATOM 516 O GLN B 3 -15.164 1.543 5.736 1.00 0.00 O ATOM 517 CB GLN B 3 -18.342 2.527 6.621 1.00 0.00 C ATOM 518 CG GLN B 3 -19.049 3.873 6.608 1.00 0.00 C ATOM 519 CD GLN B 3 -20.547 3.747 6.804 1.00 0.00 C ATOM 520 OE1 GLN B 3 -21.009 3.134 7.767 1.00 0.00 O ATOM 521 NE2 GLN B 3 -21.314 4.326 5.890 1.00 0.00 N ATOM 0 HA GLN B 3 -16.902 3.236 5.180 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -19.089 1.734 6.646 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -17.757 2.442 7.537 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -18.635 4.504 7.395 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -18.851 4.374 5.660 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -20.888 4.824 5.108 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -22.330 4.273 5.969 1.00 0.00 H new ATOM 530 N ALA B 4 -16.816 0.058 6.113 1.00 0.00 N ATOM 531 CA ALA B 4 -15.920 -1.032 6.500 1.00 0.00 C ATOM 532 C ALA B 4 -14.856 -1.329 5.443 1.00 0.00 C ATOM 533 O ALA B 4 -13.894 -2.046 5.716 1.00 0.00 O ATOM 534 CB ALA B 4 -16.720 -2.287 6.805 1.00 0.00 C ATOM 0 H ALA B 4 -17.806 -0.187 6.137 1.00 0.00 H new ATOM 0 HA ALA B 4 -15.394 -0.705 7.397 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -16.041 -3.090 7.092 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -17.412 -2.087 7.623 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -17.281 -2.585 5.919 1.00 0.00 H new ATOM 540 N LEU B 5 -15.017 -0.778 4.247 1.00 0.00 N ATOM 541 CA LEU B 5 -14.050 -0.993 3.178 1.00 0.00 C ATOM 542 C LEU B 5 -13.299 0.295 2.905 1.00 0.00 C ATOM 543 O LEU B 5 -12.087 0.308 2.699 1.00 0.00 O ATOM 544 CB LEU B 5 -14.754 -1.456 1.908 1.00 0.00 C ATOM 545 CG LEU B 5 -14.895 -2.971 1.754 1.00 0.00 C ATOM 546 CD1 LEU B 5 -16.148 -3.313 0.962 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.661 -3.552 1.081 1.00 0.00 C ATOM 0 H LEU B 5 -15.804 -0.181 3.993 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.348 -1.766 3.490 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.748 -1.011 1.881 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.208 -1.069 1.048 1.00 0.00 H new ATOM 0 HG LEU B 5 -14.987 -3.413 2.746 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.232 -4.395 0.863 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -17.024 -2.928 1.483 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -16.087 -2.861 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.776 -4.631 0.979 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.540 -3.105 0.094 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -12.781 -3.337 1.687 1.00 0.00 H new ATOM 559 N LYS B 6 -14.051 1.375 2.918 1.00 0.00 N ATOM 560 CA LYS B 6 -13.517 2.700 2.688 1.00 0.00 C ATOM 561 C LYS B 6 -12.390 3.008 3.662 1.00 0.00 C ATOM 562 O LYS B 6 -11.337 3.516 3.277 1.00 0.00 O ATOM 563 CB LYS B 6 -14.649 3.697 2.856 1.00 0.00 C ATOM 564 CG LYS B 6 -14.221 5.150 2.818 1.00 0.00 C ATOM 565 CD LYS B 6 -15.197 6.000 2.020 1.00 0.00 C ATOM 566 CE LYS B 6 -16.483 6.246 2.793 1.00 0.00 C ATOM 567 NZ LYS B 6 -16.373 7.428 3.693 1.00 0.00 N ATOM 0 H LYS B 6 -15.056 1.358 3.090 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.103 2.762 1.681 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.384 3.528 2.069 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.148 3.504 3.806 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -14.149 5.535 3.835 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -13.227 5.226 2.377 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -14.732 6.954 1.772 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -15.427 5.503 1.077 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -17.304 6.398 2.092 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -16.727 5.362 3.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.270 7.562 4.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -15.606 7.272 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -16.166 8.276 3.128 1.00 0.00 H new ATOM 581 N LYS B 7 -12.628 2.701 4.928 1.00 0.00 N ATOM 582 CA LYS B 7 -11.645 2.945 5.970 1.00 0.00 C ATOM 583 C LYS B 7 -10.569 1.860 5.991 1.00 0.00 C ATOM 584 O LYS B 7 -9.417 2.127 6.331 1.00 0.00 O ATOM 585 CB LYS B 7 -12.340 3.008 7.326 1.00 0.00 C ATOM 586 CG LYS B 7 -13.493 3.999 7.376 1.00 0.00 C ATOM 587 CD LYS B 7 -14.716 3.398 8.049 1.00 0.00 C ATOM 588 CE LYS B 7 -14.629 3.508 9.563 1.00 0.00 C ATOM 589 NZ LYS B 7 -15.122 4.825 10.053 1.00 0.00 N ATOM 0 H LYS B 7 -13.497 2.281 5.258 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.158 3.897 5.759 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.714 2.016 7.579 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -11.608 3.277 8.088 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.182 4.893 7.916 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -13.750 4.311 6.364 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.613 3.907 7.697 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.811 2.350 7.764 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -15.213 2.709 10.019 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -13.595 3.367 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.046 4.860 11.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -14.548 5.587 9.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -16.116 4.949 9.774 1.00 0.00 H new ATOM 603 N ARG B 8 -10.950 0.636 5.635 1.00 0.00 N ATOM 604 CA ARG B 8 -10.008 -0.480 5.630 1.00 0.00 C ATOM 605 C ARG B 8 -8.969 -0.326 4.520 1.00 0.00 C ATOM 606 O ARG B 8 -7.833 -0.782 4.657 1.00 0.00 O ATOM 607 CB ARG B 8 -10.754 -1.818 5.505 1.00 0.00 C ATOM 608 CG ARG B 8 -10.984 -2.292 4.076 1.00 0.00 C ATOM 609 CD ARG B 8 -11.661 -3.655 4.046 1.00 0.00 C ATOM 610 NE ARG B 8 -10.908 -4.629 3.258 1.00 0.00 N ATOM 611 CZ ARG B 8 -9.880 -5.332 3.730 1.00 0.00 C ATOM 612 NH1 ARG B 8 -9.465 -5.158 4.978 1.00 0.00 N ATOM 613 NH2 ARG B 8 -9.265 -6.211 2.951 1.00 0.00 N ATOM 0 H ARG B 8 -11.898 0.392 5.348 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.475 -0.473 6.581 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.191 -2.583 6.040 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.720 -1.727 6.002 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -11.600 -1.566 3.545 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.030 -2.346 3.551 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -11.775 -4.025 5.065 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -12.664 -3.552 3.631 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.187 -4.779 2.288 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.934 -4.483 5.582 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.677 -5.699 5.334 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -9.579 -6.349 1.990 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.478 -6.750 3.312 1.00 0.00 H new ATOM 627 N VAL B 9 -9.355 0.325 3.426 1.00 0.00 N ATOM 628 CA VAL B 9 -8.440 0.539 2.311 1.00 0.00 C ATOM 629 C VAL B 9 -7.310 1.479 2.719 1.00 0.00 C ATOM 630 O VAL B 9 -6.169 1.320 2.288 1.00 0.00 O ATOM 631 CB VAL B 9 -9.168 1.121 1.078 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.191 1.381 -0.063 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.278 0.184 0.626 1.00 0.00 C ATOM 0 H VAL B 9 -10.289 0.711 3.289 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.029 -0.434 2.041 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.611 2.074 1.365 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.730 1.790 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.433 2.093 0.262 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.711 0.446 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.781 0.608 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -9.852 -0.784 0.362 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -10.997 0.056 1.435 1.00 0.00 H new ATOM 643 N GLN B 10 -7.639 2.455 3.557 1.00 0.00 N ATOM 644 CA GLN B 10 -6.654 3.420 4.029 1.00 0.00 C ATOM 645 C GLN B 10 -5.508 2.726 4.760 1.00 0.00 C ATOM 646 O GLN B 10 -4.431 3.297 4.925 1.00 0.00 O ATOM 647 CB GLN B 10 -7.315 4.444 4.952 1.00 0.00 C ATOM 648 CG GLN B 10 -8.587 5.048 4.381 1.00 0.00 C ATOM 649 CD GLN B 10 -8.989 6.331 5.080 1.00 0.00 C ATOM 650 OE1 GLN B 10 -8.233 6.877 5.884 1.00 0.00 O ATOM 651 NE2 GLN B 10 -10.186 6.821 4.778 1.00 0.00 N ATOM 0 H GLN B 10 -8.580 2.599 3.923 1.00 0.00 H new ATOM 0 HA GLN B 10 -6.244 3.933 3.159 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -7.546 3.966 5.904 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -6.605 5.244 5.160 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.445 5.247 3.319 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -9.398 4.324 4.464 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -10.781 6.336 4.106 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -10.510 7.682 5.218 1.00 0.00 H new ATOM 660 N ALA B 11 -5.744 1.492 5.202 1.00 0.00 N ATOM 661 CA ALA B 11 -4.726 0.731 5.918 1.00 0.00 C ATOM 662 C ALA B 11 -3.817 -0.042 4.961 1.00 0.00 C ATOM 663 O ALA B 11 -3.026 -0.880 5.393 1.00 0.00 O ATOM 664 CB ALA B 11 -5.381 -0.221 6.906 1.00 0.00 C ATOM 0 H ALA B 11 -6.629 1.000 5.077 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.103 1.442 6.462 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -4.611 -0.783 7.434 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -5.971 0.349 7.624 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.031 -0.912 6.369 1.00 0.00 H new ATOM 670 N LEU B 12 -3.927 0.239 3.663 1.00 0.00 N ATOM 671 CA LEU B 12 -3.104 -0.441 2.668 1.00 0.00 C ATOM 672 C LEU B 12 -2.247 0.559 1.898 1.00 0.00 C ATOM 673 O LEU B 12 -1.049 0.350 1.705 1.00 0.00 O ATOM 674 CB LEU B 12 -3.975 -1.230 1.682 1.00 0.00 C ATOM 675 CG LEU B 12 -5.299 -1.757 2.242 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.307 -1.958 1.122 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.079 -3.058 2.997 1.00 0.00 C ATOM 0 H LEU B 12 -4.574 0.928 3.279 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.453 -1.135 3.200 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.192 -0.591 0.826 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.396 -2.076 1.310 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.697 -1.018 2.938 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.242 -2.333 1.537 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.488 -1.007 0.620 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.914 -2.678 0.404 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.031 -3.417 3.388 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.659 -3.804 2.322 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.389 -2.887 3.823 1.00 0.00 H new ATOM 689 N LYS B 13 -2.875 1.641 1.450 1.00 0.00 N ATOM 690 CA LYS B 13 -2.182 2.674 0.687 1.00 0.00 C ATOM 691 C LYS B 13 -1.473 3.668 1.604 1.00 0.00 C ATOM 692 O LYS B 13 -0.461 4.257 1.225 1.00 0.00 O ATOM 693 CB LYS B 13 -3.169 3.411 -0.218 1.00 0.00 C ATOM 694 CG LYS B 13 -4.340 4.027 0.531 1.00 0.00 C ATOM 695 CD LYS B 13 -4.181 5.533 0.661 1.00 0.00 C ATOM 696 CE LYS B 13 -5.244 6.282 -0.128 1.00 0.00 C ATOM 697 NZ LYS B 13 -4.676 6.942 -1.337 1.00 0.00 N ATOM 0 H LYS B 13 -3.866 1.826 1.603 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.425 2.184 0.074 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.639 4.197 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.552 2.716 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.269 3.801 0.007 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.416 3.580 1.522 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.241 5.816 1.712 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.192 5.826 0.308 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.029 5.588 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.709 7.033 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.432 7.442 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.944 7.623 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.255 6.223 -1.959 1.00 0.00 H new ATOM 711 N ALA B 14 -2.008 3.855 2.806 1.00 0.00 N ATOM 712 CA ALA B 14 -1.418 4.786 3.766 1.00 0.00 C ATOM 713 C ALA B 14 0.072 4.522 3.952 1.00 0.00 C ATOM 714 O ALA B 14 0.888 5.442 3.891 1.00 0.00 O ATOM 715 CB ALA B 14 -2.139 4.696 5.102 1.00 0.00 C ATOM 0 H ALA B 14 -2.845 3.377 3.139 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.533 5.794 3.367 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.688 5.395 5.806 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.191 4.946 4.965 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.055 3.682 5.493 1.00 0.00 H new ATOM 721 N ARG B 15 0.420 3.261 4.182 1.00 0.00 N ATOM 722 CA ARG B 15 1.813 2.877 4.379 1.00 0.00 C ATOM 723 C ARG B 15 2.483 2.552 3.048 1.00 0.00 C ATOM 724 O ARG B 15 3.605 2.985 2.786 1.00 0.00 O ATOM 725 CB ARG B 15 1.904 1.671 5.317 1.00 0.00 C ATOM 726 CG ARG B 15 3.327 1.210 5.581 1.00 0.00 C ATOM 727 CD ARG B 15 4.100 2.229 6.403 1.00 0.00 C ATOM 728 NE ARG B 15 3.764 2.155 7.822 1.00 0.00 N ATOM 729 CZ ARG B 15 4.159 3.050 8.726 1.00 0.00 C ATOM 730 NH1 ARG B 15 4.902 4.088 8.361 1.00 0.00 N ATOM 731 NH2 ARG B 15 3.809 2.907 9.996 1.00 0.00 N ATOM 0 H ARG B 15 -0.243 2.488 4.237 1.00 0.00 H new ATOM 0 HA ARG B 15 2.335 3.721 4.831 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.431 1.923 6.266 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.337 0.845 4.888 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.310 0.255 6.106 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.838 1.043 4.633 1.00 0.00 H new ATOM 0 HD2 ARG B 15 5.169 2.062 6.274 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.887 3.231 6.032 1.00 0.00 H new ATOM 0 HE ARG B 15 3.193 1.372 8.140 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.173 4.203 7.384 1.00 0.00 H new ATOM 0 HH12 ARG B 15 5.202 4.771 9.057 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.237 2.112 10.281 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.111 3.592 10.689 1.00 0.00 H new ATOM 745 N ASN B 16 1.787 1.788 2.212 1.00 0.00 N ATOM 746 CA ASN B 16 2.314 1.400 0.908 1.00 0.00 C ATOM 747 C ASN B 16 2.696 2.625 0.079 1.00 0.00 C ATOM 748 O ASN B 16 3.695 2.611 -0.639 1.00 0.00 O ATOM 749 CB ASN B 16 1.285 0.552 0.154 1.00 0.00 C ATOM 750 CG ASN B 16 1.728 0.208 -1.256 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.859 -0.226 -1.475 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.836 0.401 -2.220 1.00 0.00 N ATOM 0 H ASN B 16 0.856 1.425 2.415 1.00 0.00 H new ATOM 0 HA ASN B 16 3.215 0.808 1.070 1.00 0.00 H new ATOM 0 HB2 ASN B 16 1.104 -0.369 0.708 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.338 1.090 0.112 1.00 0.00 H new ATOM 0 HD21 ASN B 16 1.077 0.188 -3.188 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.090 0.763 -1.993 1.00 0.00 H new ATOM 759 N TYR B 17 1.894 3.680 0.180 1.00 0.00 N ATOM 760 CA TYR B 17 2.152 4.908 -0.565 1.00 0.00 C ATOM 761 C TYR B 17 3.568 5.415 -0.311 1.00 0.00 C ATOM 762 O TYR B 17 4.259 5.844 -1.235 1.00 0.00 O ATOM 763 CB TYR B 17 1.133 5.986 -0.187 1.00 0.00 C ATOM 764 CG TYR B 17 1.347 7.301 -0.903 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.359 7.363 -2.291 1.00 0.00 C ATOM 766 CD2 TYR B 17 1.536 8.479 -0.192 1.00 0.00 C ATOM 767 CE1 TYR B 17 1.554 8.563 -2.949 1.00 0.00 C ATOM 768 CE2 TYR B 17 1.731 9.682 -0.843 1.00 0.00 C ATOM 769 CZ TYR B 17 1.739 9.719 -2.221 1.00 0.00 C ATOM 770 OH TYR B 17 1.933 10.915 -2.872 1.00 0.00 O ATOM 0 H TYR B 17 1.062 3.710 0.769 1.00 0.00 H new ATOM 0 HA TYR B 17 2.053 4.684 -1.627 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.131 5.620 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.179 6.156 0.889 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.214 6.460 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR B 17 1.530 8.454 0.888 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.561 8.595 -4.029 1.00 0.00 H new ATOM 0 HE2 TYR B 17 1.876 10.589 -0.275 1.00 0.00 H new ATOM 0 HH TYR B 17 2.046 11.632 -2.213 1.00 0.00 H new ATOM 780 N ALA B 18 3.996 5.363 0.946 1.00 0.00 N ATOM 781 CA ALA B 18 5.331 5.816 1.313 1.00 0.00 C ATOM 782 C ALA B 18 6.396 4.887 0.748 1.00 0.00 C ATOM 783 O ALA B 18 7.370 5.339 0.147 1.00 0.00 O ATOM 784 CB ALA B 18 5.460 5.917 2.826 1.00 0.00 C ATOM 0 H ALA B 18 3.439 5.013 1.725 1.00 0.00 H new ATOM 0 HA ALA B 18 5.484 6.806 0.883 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.463 6.257 3.084 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.727 6.628 3.207 1.00 0.00 H new ATOM 0 HB3 ALA B 18 5.282 4.939 3.272 1.00 0.00 H new ATOM 790 N LEU B 19 6.203 3.584 0.931 1.00 0.00 N ATOM 791 CA LEU B 19 7.154 2.604 0.421 1.00 0.00 C ATOM 792 C LEU B 19 7.221 2.684 -1.098 1.00 0.00 C ATOM 793 O LEU B 19 8.281 2.934 -1.667 1.00 0.00 O ATOM 794 CB LEU B 19 6.777 1.181 0.847 1.00 0.00 C ATOM 795 CG LEU B 19 6.042 1.057 2.184 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.852 -0.406 2.553 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.795 1.790 3.284 1.00 0.00 C ATOM 0 H LEU B 19 5.404 3.186 1.424 1.00 0.00 H new ATOM 0 HA LEU B 19 8.131 2.837 0.844 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.152 0.743 0.069 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.688 0.584 0.898 1.00 0.00 H new ATOM 0 HG LEU B 19 5.060 1.518 2.077 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.328 -0.476 3.506 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.266 -0.903 1.780 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.825 -0.889 2.638 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.254 1.688 4.225 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.792 1.362 3.390 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.879 2.846 3.026 1.00 0.00 H new ATOM 809 N LYS B 20 6.072 2.480 -1.743 1.00 0.00 N ATOM 810 CA LYS B 20 5.972 2.529 -3.202 1.00 0.00 C ATOM 811 C LYS B 20 6.802 3.670 -3.786 1.00 0.00 C ATOM 812 O LYS B 20 7.315 3.572 -4.901 1.00 0.00 O ATOM 813 CB LYS B 20 4.511 2.700 -3.621 1.00 0.00 C ATOM 814 CG LYS B 20 4.159 1.992 -4.919 1.00 0.00 C ATOM 815 CD LYS B 20 2.664 2.039 -5.191 1.00 0.00 C ATOM 816 CE LYS B 20 2.292 1.208 -6.408 1.00 0.00 C ATOM 817 NZ LYS B 20 2.100 2.053 -7.619 1.00 0.00 N ATOM 0 H LYS B 20 5.190 2.277 -1.273 1.00 0.00 H new ATOM 0 HA LYS B 20 6.363 1.589 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.868 2.322 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.295 3.763 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.695 2.458 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS B 20 4.489 0.954 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.123 1.671 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS B 20 2.354 3.072 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.074 0.473 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.376 0.654 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.847 1.449 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.337 2.738 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.982 2.563 -7.830 1.00 0.00 H new ATOM 831 N GLN B 21 6.918 4.751 -3.028 1.00 0.00 N ATOM 832 CA GLN B 21 7.673 5.916 -3.470 1.00 0.00 C ATOM 833 C GLN B 21 9.168 5.772 -3.188 1.00 0.00 C ATOM 834 O GLN B 21 10.001 6.121 -4.026 1.00 0.00 O ATOM 835 CB GLN B 21 7.138 7.177 -2.787 1.00 0.00 C ATOM 836 CG GLN B 21 7.838 8.452 -3.229 1.00 0.00 C ATOM 837 CD GLN B 21 8.806 8.977 -2.186 1.00 0.00 C ATOM 838 OE1 GLN B 21 10.016 9.008 -2.405 1.00 0.00 O ATOM 839 NE2 GLN B 21 8.275 9.393 -1.043 1.00 0.00 N ATOM 0 H GLN B 21 6.499 4.846 -2.103 1.00 0.00 H new ATOM 0 HA GLN B 21 7.545 5.997 -4.549 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.072 7.267 -2.994 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.245 7.069 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.377 8.263 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN B 21 7.091 9.216 -3.444 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.265 9.349 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN B 21 8.876 9.756 -0.304 1.00 0.00 H new ATOM 848 N LYS B 22 9.506 5.285 -1.998 1.00 0.00 N ATOM 849 CA LYS B 22 10.905 5.133 -1.603 1.00 0.00 C ATOM 850 C LYS B 22 11.487 3.763 -1.965 1.00 0.00 C ATOM 851 O LYS B 22 12.673 3.525 -1.742 1.00 0.00 O ATOM 852 CB LYS B 22 11.054 5.373 -0.101 1.00 0.00 C ATOM 853 CG LYS B 22 10.179 4.466 0.749 1.00 0.00 C ATOM 854 CD LYS B 22 11.011 3.483 1.558 1.00 0.00 C ATOM 855 CE LYS B 22 11.292 4.006 2.958 1.00 0.00 C ATOM 856 NZ LYS B 22 11.686 5.441 2.947 1.00 0.00 N ATOM 0 H LYS B 22 8.833 4.989 -1.291 1.00 0.00 H new ATOM 0 HA LYS B 22 11.470 5.878 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.097 5.226 0.180 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.808 6.412 0.119 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.573 5.072 1.423 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.490 3.918 0.106 1.00 0.00 H new ATOM 0 HD2 LYS B 22 10.487 2.530 1.624 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.953 3.294 1.044 1.00 0.00 H new ATOM 0 HE2 LYS B 22 10.405 3.878 3.578 1.00 0.00 H new ATOM 0 HE3 LYS B 22 12.087 3.415 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 12.062 5.705 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 12.416 5.595 2.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 10.855 6.028 2.731 1.00 0.00 H new ATOM 870 N VAL B 23 10.670 2.860 -2.511 1.00 0.00 N ATOM 871 CA VAL B 23 11.158 1.524 -2.872 1.00 0.00 C ATOM 872 C VAL B 23 12.492 1.602 -3.611 1.00 0.00 C ATOM 873 O VAL B 23 13.512 1.112 -3.124 1.00 0.00 O ATOM 874 CB VAL B 23 10.159 0.749 -3.754 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.610 -0.695 -3.918 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.760 0.807 -3.169 1.00 0.00 C ATOM 0 H VAL B 23 9.683 3.023 -2.711 1.00 0.00 H new ATOM 0 HA VAL B 23 11.282 0.990 -1.930 1.00 0.00 H new ATOM 0 HB VAL B 23 10.133 1.221 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.895 -1.231 -4.543 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.593 -0.718 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.665 -1.172 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.074 0.253 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL B 23 8.764 0.364 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.436 1.846 -3.103 1.00 0.00 H new ATOM 886 N GLN B 24 12.476 2.219 -4.786 1.00 0.00 N ATOM 887 CA GLN B 24 13.684 2.360 -5.591 1.00 0.00 C ATOM 888 C GLN B 24 14.746 3.152 -4.835 1.00 0.00 C ATOM 889 O GLN B 24 15.942 2.886 -4.964 1.00 0.00 O ATOM 890 CB GLN B 24 13.367 3.048 -6.919 1.00 0.00 C ATOM 891 CG GLN B 24 12.084 2.556 -7.571 1.00 0.00 C ATOM 892 CD GLN B 24 12.251 2.276 -9.052 1.00 0.00 C ATOM 893 OE1 GLN B 24 13.100 2.871 -9.715 1.00 0.00 O ATOM 894 NE2 GLN B 24 11.439 1.368 -9.578 1.00 0.00 N ATOM 0 H GLN B 24 11.641 2.630 -5.203 1.00 0.00 H new ATOM 0 HA GLN B 24 14.072 1.362 -5.796 1.00 0.00 H new ATOM 0 HB2 GLN B 24 13.291 4.122 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN B 24 14.198 2.890 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN B 24 11.751 1.648 -7.069 1.00 0.00 H new ATOM 0 HG3 GLN B 24 11.301 3.302 -7.432 1.00 0.00 H new ATOM 0 HE21 GLN B 24 10.749 0.899 -8.991 1.00 0.00 H new ATOM 0 HE22 GLN B 24 11.504 1.139 -10.570 1.00 0.00 H new ATOM 903 N ALA B 25 14.301 4.122 -4.044 1.00 0.00 N ATOM 904 CA ALA B 25 15.213 4.951 -3.266 1.00 0.00 C ATOM 905 C ALA B 25 16.025 4.106 -2.292 1.00 0.00 C ATOM 906 O ALA B 25 17.161 4.444 -1.961 1.00 0.00 O ATOM 907 CB ALA B 25 14.439 6.027 -2.519 1.00 0.00 C ATOM 0 H ALA B 25 13.315 4.353 -3.925 1.00 0.00 H new ATOM 0 HA ALA B 25 15.908 5.432 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.132 6.639 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.908 6.656 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.722 5.558 -1.846 1.00 0.00 H new ATOM 913 N LEU B 26 15.435 3.006 -1.836 1.00 0.00 N ATOM 914 CA LEU B 26 16.108 2.111 -0.898 1.00 0.00 C ATOM 915 C LEU B 26 17.096 1.204 -1.623 1.00 0.00 C ATOM 916 O LEU B 26 18.298 1.239 -1.357 1.00 0.00 O ATOM 917 CB LEU B 26 15.083 1.265 -0.141 1.00 0.00 C ATOM 918 CG LEU B 26 14.090 2.056 0.712 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.139 1.115 1.434 1.00 0.00 C ATOM 920 CD2 LEU B 26 14.828 2.940 1.706 1.00 0.00 C ATOM 0 H LEU B 26 14.494 2.712 -2.099 1.00 0.00 H new ATOM 0 HA LEU B 26 16.660 2.724 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.524 0.669 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.617 0.567 0.504 1.00 0.00 H new ATOM 0 HG LEU B 26 13.503 2.696 0.054 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.440 1.696 2.036 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.586 0.525 0.703 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.709 0.448 2.082 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.106 3.496 2.305 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.441 2.319 2.360 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.467 3.639 1.167 1.00 0.00 H new ATOM 932 N ARG B 27 16.582 0.387 -2.538 1.00 0.00 N ATOM 933 CA ARG B 27 17.419 -0.536 -3.300 1.00 0.00 C ATOM 934 C ARG B 27 18.550 0.202 -4.010 1.00 0.00 C ATOM 935 O ARG B 27 19.691 -0.262 -4.027 1.00 0.00 O ATOM 936 CB ARG B 27 16.575 -1.303 -4.323 1.00 0.00 C ATOM 937 CG ARG B 27 15.643 -0.420 -5.136 1.00 0.00 C ATOM 938 CD ARG B 27 14.267 -1.051 -5.290 1.00 0.00 C ATOM 939 NE ARG B 27 13.784 -0.985 -6.666 1.00 0.00 N ATOM 940 CZ ARG B 27 12.749 -1.685 -7.124 1.00 0.00 C ATOM 941 NH1 ARG B 27 12.086 -2.505 -6.318 1.00 0.00 N ATOM 942 NH2 ARG B 27 12.378 -1.566 -8.391 1.00 0.00 N ATOM 0 H ARG B 27 15.590 0.345 -2.770 1.00 0.00 H new ATOM 0 HA ARG B 27 17.859 -1.243 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG B 27 17.240 -1.835 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG B 27 15.984 -2.055 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG B 27 15.546 0.552 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG B 27 16.075 -0.243 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG B 27 14.308 -2.092 -4.970 1.00 0.00 H new ATOM 0 HD3 ARG B 27 13.560 -0.544 -4.633 1.00 0.00 H new ATOM 0 HE ARG B 27 14.269 -0.365 -7.315 1.00 0.00 H new ATOM 0 HH11 ARG B 27 12.369 -2.601 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG B 27 11.293 -3.039 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG B 27 12.886 -0.938 -9.014 1.00 0.00 H new ATOM 0 HH22 ARG B 27 11.585 -2.102 -8.743 1.00 0.00 H new