USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=2 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= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 16 ASN : amide:sc= -3.34! C(o=-3.3!,f=-3.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.3!) USER MOD Single : A 25 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.3!) USER MOD Single : B 3 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.49) 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= -2.32 K(o=-2.3,f=-3.7!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -1.45! C(o=-1.4!,f=-5.2!) 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= -0.475 X(o=-0.47,f=-0.11) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -15.412 0.137 -4.536 1.00 0.00 N ATOM 66 CA LEU A 5 -14.814 0.372 -3.227 1.00 0.00 C ATOM 67 C LEU A 5 -14.124 -0.886 -2.708 1.00 0.00 C ATOM 68 O LEU A 5 -13.060 -0.813 -2.095 1.00 0.00 O ATOM 69 CB LEU A 5 -15.881 0.831 -2.231 1.00 0.00 C ATOM 70 CG LEU A 5 -16.686 2.057 -2.663 1.00 0.00 C ATOM 71 CD1 LEU A 5 -17.882 2.260 -1.747 1.00 0.00 C ATOM 72 CD2 LEU A 5 -15.804 3.296 -2.675 1.00 0.00 C ATOM 0 HA LEU A 5 -14.065 1.156 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.571 0.006 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.397 1.050 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.055 1.888 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.443 3.137 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.526 1.382 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.536 2.407 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.393 4.159 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.405 3.469 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.980 3.149 -3.374 1.00 0.00 H new ATOM 84 N GLU A 6 -14.738 -2.038 -2.959 1.00 0.00 N ATOM 85 CA GLU A 6 -14.181 -3.311 -2.517 1.00 0.00 C ATOM 86 C GLU A 6 -12.862 -3.600 -3.225 1.00 0.00 C ATOM 87 O GLU A 6 -11.853 -3.894 -2.582 1.00 0.00 O ATOM 88 CB GLU A 6 -15.174 -4.445 -2.778 1.00 0.00 C ATOM 89 CG GLU A 6 -16.467 -4.315 -1.987 1.00 0.00 C ATOM 90 CD GLU A 6 -16.845 -5.598 -1.273 1.00 0.00 C ATOM 91 OE1 GLU A 6 -15.930 -6.357 -0.890 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.056 -5.843 -1.093 1.00 0.00 O ATOM 0 H GLU A 6 -15.620 -2.116 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.991 -3.245 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.410 -4.473 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.701 -5.395 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.362 -3.514 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.274 -4.027 -2.661 1.00 0.00 H new ATOM 99 N LYS A 7 -12.875 -3.512 -4.551 1.00 0.00 N ATOM 100 CA LYS A 7 -11.675 -3.760 -5.345 1.00 0.00 C ATOM 101 C LYS A 7 -10.562 -2.794 -4.958 1.00 0.00 C ATOM 102 O LYS A 7 -9.379 -3.112 -5.083 1.00 0.00 O ATOM 103 CB LYS A 7 -11.986 -3.629 -6.837 1.00 0.00 C ATOM 104 CG LYS A 7 -13.244 -4.368 -7.264 1.00 0.00 C ATOM 105 CD LYS A 7 -13.048 -5.091 -8.587 1.00 0.00 C ATOM 106 CE LYS A 7 -13.241 -4.155 -9.768 1.00 0.00 C ATOM 107 NZ LYS A 7 -13.955 -4.820 -10.892 1.00 0.00 N ATOM 0 H LYS A 7 -13.701 -3.271 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.338 -4.777 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.093 -2.573 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.140 -4.008 -7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.523 -5.087 -6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.069 -3.661 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.047 -5.521 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.754 -5.919 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.804 -3.278 -9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.270 -3.801 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.067 -4.148 -11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.405 -5.642 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.892 -5.135 -10.570 1.00 0.00 H new ATOM 121 N GLU A 8 -10.948 -1.614 -4.481 1.00 0.00 N ATOM 122 CA GLU A 8 -9.981 -0.605 -4.069 1.00 0.00 C ATOM 123 C GLU A 8 -9.060 -1.149 -2.980 1.00 0.00 C ATOM 124 O GLU A 8 -7.923 -0.702 -2.835 1.00 0.00 O ATOM 125 CB GLU A 8 -10.702 0.647 -3.572 1.00 0.00 C ATOM 126 CG GLU A 8 -9.818 1.882 -3.528 1.00 0.00 C ATOM 127 CD GLU A 8 -10.552 3.107 -3.020 1.00 0.00 C ATOM 128 OE1 GLU A 8 -11.794 3.150 -3.150 1.00 0.00 O ATOM 129 OE2 GLU A 8 -9.887 4.023 -2.495 1.00 0.00 O ATOM 0 H GLU A 8 -11.923 -1.335 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.372 -0.342 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.556 0.845 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.096 0.457 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.958 1.686 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.431 2.083 -4.527 1.00 0.00 H new ATOM 136 N VAL A 9 -9.559 -2.123 -2.222 1.00 0.00 N ATOM 137 CA VAL A 9 -8.780 -2.733 -1.153 1.00 0.00 C ATOM 138 C VAL A 9 -7.763 -3.716 -1.721 1.00 0.00 C ATOM 139 O VAL A 9 -6.558 -3.563 -1.522 1.00 0.00 O ATOM 140 CB VAL A 9 -9.689 -3.464 -0.142 1.00 0.00 C ATOM 141 CG1 VAL A 9 -8.861 -4.172 0.923 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.664 -2.489 0.498 1.00 0.00 C ATOM 0 H VAL A 9 -10.499 -2.505 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.256 -1.930 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.259 -4.219 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.525 -4.679 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.207 -4.903 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.258 -3.441 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.297 -3.021 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.109 -1.709 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.286 -2.036 -0.274 1.00 0.00 H new ATOM 152 N ALA A 10 -8.256 -4.724 -2.436 1.00 0.00 N ATOM 153 CA ALA A 10 -7.389 -5.728 -3.041 1.00 0.00 C ATOM 154 C ALA A 10 -6.311 -5.073 -3.898 1.00 0.00 C ATOM 155 O ALA A 10 -5.237 -5.639 -4.106 1.00 0.00 O ATOM 156 CB ALA A 10 -8.210 -6.702 -3.874 1.00 0.00 C ATOM 0 H ALA A 10 -9.251 -4.866 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.896 -6.280 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.550 -7.446 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.940 -7.200 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.729 -6.158 -4.663 1.00 0.00 H new ATOM 162 N GLN A 11 -6.603 -3.871 -4.389 1.00 0.00 N ATOM 163 CA GLN A 11 -5.660 -3.132 -5.217 1.00 0.00 C ATOM 164 C GLN A 11 -4.400 -2.794 -4.427 1.00 0.00 C ATOM 165 O GLN A 11 -3.284 -3.020 -4.894 1.00 0.00 O ATOM 166 CB GLN A 11 -6.315 -1.852 -5.746 1.00 0.00 C ATOM 167 CG GLN A 11 -5.372 -0.965 -6.544 1.00 0.00 C ATOM 168 CD GLN A 11 -5.121 -1.491 -7.944 1.00 0.00 C ATOM 169 OE1 GLN A 11 -3.997 -1.848 -8.293 1.00 0.00 O ATOM 170 NE2 GLN A 11 -6.172 -1.541 -8.754 1.00 0.00 N ATOM 0 H GLN A 11 -7.487 -3.389 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.376 -3.759 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.164 -2.122 -6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.710 -1.282 -4.905 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.790 0.040 -6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.422 -0.882 -6.015 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.087 -1.234 -8.422 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.065 -1.886 -9.708 1.00 0.00 H new ATOM 179 N LEU A 12 -4.584 -2.255 -3.224 1.00 0.00 N ATOM 180 CA LEU A 12 -3.459 -1.894 -2.372 1.00 0.00 C ATOM 181 C LEU A 12 -2.960 -3.104 -1.593 1.00 0.00 C ATOM 182 O LEU A 12 -1.758 -3.304 -1.445 1.00 0.00 O ATOM 183 CB LEU A 12 -3.852 -0.786 -1.397 1.00 0.00 C ATOM 184 CG LEU A 12 -4.446 0.468 -2.039 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.207 1.287 -1.009 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.350 1.306 -2.679 1.00 0.00 C ATOM 0 H LEU A 12 -5.500 -2.060 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.658 -1.532 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.575 -1.188 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.970 -0.498 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.145 0.158 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.622 2.175 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.016 0.687 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.529 1.587 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.789 2.195 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.629 1.605 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.845 0.720 -3.447 1.00 0.00 H new ATOM 198 N GLU A 13 -3.894 -3.911 -1.097 1.00 0.00 N ATOM 199 CA GLU A 13 -3.547 -5.106 -0.330 1.00 0.00 C ATOM 200 C GLU A 13 -2.445 -5.906 -1.023 1.00 0.00 C ATOM 201 O GLU A 13 -1.675 -6.612 -0.373 1.00 0.00 O ATOM 202 CB GLU A 13 -4.783 -5.987 -0.134 1.00 0.00 C ATOM 203 CG GLU A 13 -5.514 -5.727 1.174 1.00 0.00 C ATOM 204 CD GLU A 13 -6.699 -6.652 1.372 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.214 -7.181 0.365 1.00 0.00 O ATOM 206 OE2 GLU A 13 -7.111 -6.847 2.534 1.00 0.00 O ATOM 0 H GLU A 13 -4.896 -3.760 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.176 -4.784 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.471 -5.824 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.482 -7.034 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.819 -5.849 2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.857 -4.693 1.195 1.00 0.00 H new ATOM 213 N ALA A 14 -2.378 -5.788 -2.345 1.00 0.00 N ATOM 214 CA ALA A 14 -1.373 -6.497 -3.126 1.00 0.00 C ATOM 215 C ALA A 14 -0.024 -5.785 -3.075 1.00 0.00 C ATOM 216 O ALA A 14 1.006 -6.412 -2.823 1.00 0.00 O ATOM 217 CB ALA A 14 -1.836 -6.645 -4.567 1.00 0.00 C ATOM 0 H ALA A 14 -3.009 -5.207 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.245 -7.487 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.076 -7.176 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.770 -7.207 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.994 -5.658 -5.002 1.00 0.00 H new ATOM 223 N GLU A 15 -0.031 -4.478 -3.327 1.00 0.00 N ATOM 224 CA GLU A 15 1.177 -3.694 -3.324 1.00 0.00 C ATOM 225 C GLU A 15 1.626 -3.361 -1.903 1.00 0.00 C ATOM 226 O GLU A 15 2.803 -3.499 -1.569 1.00 0.00 O ATOM 227 CB GLU A 15 0.943 -2.420 -4.125 1.00 0.00 C ATOM 228 CG GLU A 15 -0.442 -1.810 -3.971 1.00 0.00 C ATOM 229 CD GLU A 15 -0.514 -0.391 -4.498 1.00 0.00 C ATOM 230 OE1 GLU A 15 0.464 0.363 -4.309 1.00 0.00 O ATOM 231 OE2 GLU A 15 -1.548 -0.031 -5.099 1.00 0.00 O ATOM 0 H GLU A 15 -0.875 -3.946 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 15 1.975 -4.277 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.685 -1.679 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.114 -2.635 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.168 -2.428 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.724 -1.818 -2.918 1.00 0.00 H new ATOM 238 N ASN A 16 0.687 -2.921 -1.068 1.00 0.00 N ATOM 239 CA ASN A 16 0.997 -2.574 0.314 1.00 0.00 C ATOM 240 C ASN A 16 1.665 -3.741 1.033 1.00 0.00 C ATOM 241 O ASN A 16 2.496 -3.544 1.919 1.00 0.00 O ATOM 242 CB ASN A 16 -0.277 -2.161 1.054 1.00 0.00 C ATOM 243 CG ASN A 16 -0.007 -1.775 2.495 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.121 -1.441 2.859 1.00 0.00 O ATOM 245 ND2 ASN A 16 -1.041 -1.819 3.323 1.00 0.00 N ATOM 0 H ASN A 16 -0.292 -2.797 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 16 1.692 -1.734 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.739 -1.321 0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.992 -2.983 1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.919 -1.570 4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.959 -2.102 2.979 1.00 0.00 H new ATOM 252 N TYR A 17 1.297 -4.957 0.642 1.00 0.00 N ATOM 253 CA TYR A 17 1.862 -6.157 1.247 1.00 0.00 C ATOM 254 C TYR A 17 3.123 -6.592 0.506 1.00 0.00 C ATOM 255 O TYR A 17 4.081 -7.069 1.117 1.00 0.00 O ATOM 256 CB TYR A 17 0.830 -7.289 1.240 1.00 0.00 C ATOM 257 CG TYR A 17 1.387 -8.626 1.678 1.00 0.00 C ATOM 258 CD1 TYR A 17 1.935 -9.507 0.753 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.364 -9.007 3.013 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.446 -10.729 1.148 1.00 0.00 C ATOM 261 CE2 TYR A 17 1.873 -10.228 3.416 1.00 0.00 C ATOM 262 CZ TYR A 17 2.413 -11.084 2.479 1.00 0.00 C ATOM 263 OH TYR A 17 2.921 -12.300 2.876 1.00 0.00 O ATOM 0 H TYR A 17 0.610 -5.137 -0.091 1.00 0.00 H new ATOM 0 HA TYR A 17 2.130 -5.928 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.003 -7.018 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.420 -7.388 0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.962 -9.232 -0.291 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.942 -8.339 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.869 -11.402 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.848 -10.510 4.458 1.00 0.00 H new ATOM 0 HH TYR A 17 2.822 -12.395 3.846 1.00 0.00 H new ATOM 273 N GLN A 18 3.117 -6.425 -0.813 1.00 0.00 N ATOM 274 CA GLN A 18 4.259 -6.800 -1.636 1.00 0.00 C ATOM 275 C GLN A 18 5.481 -5.955 -1.289 1.00 0.00 C ATOM 276 O GLN A 18 6.601 -6.463 -1.227 1.00 0.00 O ATOM 277 CB GLN A 18 3.920 -6.641 -3.119 1.00 0.00 C ATOM 278 CG GLN A 18 5.056 -7.037 -4.048 1.00 0.00 C ATOM 279 CD GLN A 18 4.827 -6.581 -5.476 1.00 0.00 C ATOM 280 OE1 GLN A 18 4.580 -7.394 -6.368 1.00 0.00 O ATOM 281 NE2 GLN A 18 4.910 -5.275 -5.702 1.00 0.00 N ATOM 0 H GLN A 18 2.333 -6.032 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 18 4.493 -7.845 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.044 -7.248 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.649 -5.603 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.988 -6.609 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.174 -8.120 -4.031 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.117 -4.637 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.767 -4.910 -6.644 1.00 0.00 H new ATOM 290 N LEU A 19 5.259 -4.664 -1.064 1.00 0.00 N ATOM 291 CA LEU A 19 6.342 -3.752 -0.723 1.00 0.00 C ATOM 292 C LEU A 19 6.835 -4.001 0.696 1.00 0.00 C ATOM 293 O LEU A 19 8.036 -4.062 0.942 1.00 0.00 O ATOM 294 CB LEU A 19 5.881 -2.302 -0.867 1.00 0.00 C ATOM 295 CG LEU A 19 5.681 -1.822 -2.306 1.00 0.00 C ATOM 296 CD1 LEU A 19 5.332 -0.342 -2.332 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.928 -2.092 -3.135 1.00 0.00 C ATOM 0 H LEU A 19 4.339 -4.227 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 19 7.166 -3.934 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.942 -2.181 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.613 -1.655 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 19 4.851 -2.377 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.194 -0.019 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.411 -0.175 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.141 0.231 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.769 -1.745 -4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.776 -1.563 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.134 -3.162 -3.144 1.00 0.00 H new ATOM 309 N GLU A 20 5.899 -4.145 1.631 1.00 0.00 N ATOM 310 CA GLU A 20 6.244 -4.387 3.030 1.00 0.00 C ATOM 311 C GLU A 20 7.295 -5.486 3.157 1.00 0.00 C ATOM 312 O GLU A 20 8.091 -5.493 4.096 1.00 0.00 O ATOM 313 CB GLU A 20 4.993 -4.766 3.825 1.00 0.00 C ATOM 314 CG GLU A 20 4.982 -4.213 5.241 1.00 0.00 C ATOM 315 CD GLU A 20 3.607 -3.740 5.670 1.00 0.00 C ATOM 316 OE1 GLU A 20 3.259 -2.578 5.373 1.00 0.00 O ATOM 317 OE2 GLU A 20 2.879 -4.533 6.303 1.00 0.00 O ATOM 0 H GLU A 20 4.897 -4.098 1.446 1.00 0.00 H new ATOM 0 HA GLU A 20 6.663 -3.467 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.112 -4.403 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.915 -5.852 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.329 -4.982 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.685 -3.383 5.309 1.00 0.00 H new ATOM 324 N GLN A 21 7.294 -6.412 2.203 1.00 0.00 N ATOM 325 CA GLN A 21 8.250 -7.512 2.205 1.00 0.00 C ATOM 326 C GLN A 21 9.452 -7.188 1.324 1.00 0.00 C ATOM 327 O GLN A 21 10.560 -7.664 1.568 1.00 0.00 O ATOM 328 CB GLN A 21 7.579 -8.798 1.719 1.00 0.00 C ATOM 329 CG GLN A 21 8.167 -10.062 2.327 1.00 0.00 C ATOM 330 CD GLN A 21 7.206 -10.758 3.271 1.00 0.00 C ATOM 331 OE1 GLN A 21 6.292 -10.139 3.814 1.00 0.00 O ATOM 332 NE2 GLN A 21 7.411 -12.055 3.473 1.00 0.00 N ATOM 0 H GLN A 21 6.642 -6.422 1.419 1.00 0.00 H new ATOM 0 HA GLN A 21 8.599 -7.656 3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.515 -8.753 1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.664 -8.854 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.447 -10.749 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.081 -9.810 2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.182 -12.529 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.798 -12.577 4.099 1.00 0.00 H new ATOM 341 N GLU A 22 9.225 -6.371 0.298 1.00 0.00 N ATOM 342 CA GLU A 22 10.290 -5.982 -0.618 1.00 0.00 C ATOM 343 C GLU A 22 11.145 -4.869 -0.018 1.00 0.00 C ATOM 344 O GLU A 22 12.316 -4.716 -0.364 1.00 0.00 O ATOM 345 CB GLU A 22 9.701 -5.523 -1.953 1.00 0.00 C ATOM 346 CG GLU A 22 10.731 -5.406 -3.064 1.00 0.00 C ATOM 347 CD GLU A 22 10.098 -5.277 -4.436 1.00 0.00 C ATOM 348 OE1 GLU A 22 9.151 -6.038 -4.726 1.00 0.00 O ATOM 349 OE2 GLU A 22 10.548 -4.415 -5.219 1.00 0.00 O ATOM 0 H GLU A 22 8.314 -5.967 0.082 1.00 0.00 H new ATOM 0 HA GLU A 22 10.924 -6.852 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.926 -6.226 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.217 -4.556 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.364 -4.539 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.378 -6.283 -3.048 1.00 0.00 H new ATOM 356 N VAL A 23 10.551 -4.094 0.883 1.00 0.00 N ATOM 357 CA VAL A 23 11.254 -2.996 1.533 1.00 0.00 C ATOM 358 C VAL A 23 12.186 -3.516 2.621 1.00 0.00 C ATOM 359 O VAL A 23 13.228 -2.921 2.897 1.00 0.00 O ATOM 360 CB VAL A 23 10.269 -1.987 2.154 1.00 0.00 C ATOM 361 CG1 VAL A 23 11.005 -0.746 2.635 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.177 -1.617 1.157 1.00 0.00 C ATOM 0 H VAL A 23 9.582 -4.207 1.180 1.00 0.00 H new ATOM 0 HA VAL A 23 11.839 -2.492 0.764 1.00 0.00 H new ATOM 0 HB VAL A 23 9.796 -2.457 3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.292 -0.046 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.741 -1.028 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.510 -0.273 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.492 -0.904 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.629 -1.169 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.628 -2.514 0.869 1.00 0.00 H new ATOM 372 N ALA A 24 11.805 -4.632 3.234 1.00 0.00 N ATOM 373 CA ALA A 24 12.606 -5.237 4.291 1.00 0.00 C ATOM 374 C ALA A 24 13.907 -5.806 3.734 1.00 0.00 C ATOM 375 O ALA A 24 14.926 -5.839 4.423 1.00 0.00 O ATOM 376 CB ALA A 24 11.809 -6.326 4.996 1.00 0.00 C ATOM 0 H ALA A 24 10.945 -5.136 3.016 1.00 0.00 H new ATOM 0 HA ALA A 24 12.859 -4.461 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.418 -6.770 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.909 -5.893 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.528 -7.095 4.276 1.00 0.00 H new ATOM 382 N GLN A 25 13.863 -6.254 2.484 1.00 0.00 N ATOM 383 CA GLN A 25 15.039 -6.822 1.833 1.00 0.00 C ATOM 384 C GLN A 25 15.834 -5.742 1.106 1.00 0.00 C ATOM 385 O GLN A 25 17.056 -5.836 0.982 1.00 0.00 O ATOM 386 CB GLN A 25 14.624 -7.916 0.847 1.00 0.00 C ATOM 387 CG GLN A 25 13.647 -8.924 1.429 1.00 0.00 C ATOM 388 CD GLN A 25 12.708 -9.496 0.385 1.00 0.00 C ATOM 389 OE1 GLN A 25 12.397 -8.842 -0.611 1.00 0.00 O ATOM 390 NE2 GLN A 25 12.252 -10.723 0.606 1.00 0.00 N ATOM 0 H GLN A 25 13.026 -6.235 1.901 1.00 0.00 H new ATOM 0 HA GLN A 25 15.674 -7.259 2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.173 -7.451 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.515 -8.442 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.204 -9.737 1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.062 -8.446 2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.536 -11.229 1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.618 -11.160 -0.063 1.00 0.00 H new ATOM 399 N LEU A 26 15.136 -4.718 0.627 1.00 0.00 N ATOM 400 CA LEU A 26 15.781 -3.622 -0.087 1.00 0.00 C ATOM 401 C LEU A 26 16.692 -2.828 0.843 1.00 0.00 C ATOM 402 O LEU A 26 17.835 -2.523 0.497 1.00 0.00 O ATOM 403 CB LEU A 26 14.730 -2.696 -0.703 1.00 0.00 C ATOM 404 CG LEU A 26 14.093 -3.207 -1.996 1.00 0.00 C ATOM 405 CD1 LEU A 26 12.783 -2.484 -2.269 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.052 -3.035 -3.164 1.00 0.00 C ATOM 0 H LEU A 26 14.125 -4.624 0.720 1.00 0.00 H new ATOM 0 HA LEU A 26 16.389 -4.050 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.941 -2.528 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.192 -1.729 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 26 13.879 -4.269 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.345 -2.861 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.093 -2.657 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.971 -1.415 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.584 -3.403 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.296 -1.979 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.965 -3.599 -2.971 1.00 0.00 H new ATOM 418 N GLU A 27 16.183 -2.497 2.025 1.00 0.00 N ATOM 419 CA GLU A 27 16.952 -1.737 3.005 1.00 0.00 C ATOM 420 C GLU A 27 17.732 -2.666 3.935 1.00 0.00 C ATOM 421 O GLU A 27 17.767 -2.458 5.147 1.00 0.00 O ATOM 422 CB GLU A 27 16.025 -0.837 3.824 1.00 0.00 C ATOM 423 CG GLU A 27 15.001 -1.603 4.645 1.00 0.00 C ATOM 424 CD GLU A 27 15.340 -1.628 6.124 1.00 0.00 C ATOM 425 OE1 GLU A 27 15.937 -0.646 6.612 1.00 0.00 O ATOM 426 OE2 GLU A 27 15.008 -2.631 6.792 1.00 0.00 O ATOM 0 H GLU A 27 15.241 -2.743 2.328 1.00 0.00 H new ATOM 0 HA GLU A 27 17.666 -1.117 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.627 -0.222 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.503 -0.158 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.019 -1.150 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.935 -2.626 4.274 1.00 0.00 H new ATOM 513 N GLN B 3 -18.744 2.609 3.205 1.00 0.00 N ATOM 514 CA GLN B 3 -17.802 3.164 4.170 1.00 0.00 C ATOM 515 C GLN B 3 -17.059 2.062 4.917 1.00 0.00 C ATOM 516 O GLN B 3 -15.861 2.170 5.168 1.00 0.00 O ATOM 517 CB GLN B 3 -18.537 4.061 5.169 1.00 0.00 C ATOM 518 CG GLN B 3 -17.638 5.085 5.844 1.00 0.00 C ATOM 519 CD GLN B 3 -18.128 6.508 5.656 1.00 0.00 C ATOM 520 OE1 GLN B 3 -18.609 6.874 4.584 1.00 0.00 O ATOM 521 NE2 GLN B 3 -18.007 7.317 6.701 1.00 0.00 N ATOM 0 HA GLN B 3 -17.071 3.756 3.620 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -19.343 4.582 4.652 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -19.000 3.436 5.933 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -17.578 4.863 6.910 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -16.628 4.997 5.443 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -17.602 6.970 7.570 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -18.319 8.286 6.635 1.00 0.00 H new ATOM 530 N ALA B 4 -17.782 1.005 5.271 1.00 0.00 N ATOM 531 CA ALA B 4 -17.192 -0.117 6.000 1.00 0.00 C ATOM 532 C ALA B 4 -15.930 -0.635 5.316 1.00 0.00 C ATOM 533 O ALA B 4 -15.021 -1.143 5.972 1.00 0.00 O ATOM 534 CB ALA B 4 -18.207 -1.236 6.157 1.00 0.00 C ATOM 0 H ALA B 4 -18.776 0.900 5.066 1.00 0.00 H new ATOM 0 HA ALA B 4 -16.905 0.245 6.988 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -17.754 -2.064 6.701 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -19.072 -0.868 6.710 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -18.525 -1.580 5.173 1.00 0.00 H new ATOM 540 N LEU B 5 -15.873 -0.496 3.996 1.00 0.00 N ATOM 541 CA LEU B 5 -14.714 -0.942 3.228 1.00 0.00 C ATOM 542 C LEU B 5 -13.982 0.257 2.653 1.00 0.00 C ATOM 543 O LEU B 5 -12.755 0.349 2.700 1.00 0.00 O ATOM 544 CB LEU B 5 -15.154 -1.872 2.097 1.00 0.00 C ATOM 545 CG LEU B 5 -15.193 -3.359 2.450 1.00 0.00 C ATOM 546 CD1 LEU B 5 -16.069 -4.118 1.466 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.786 -3.938 2.468 1.00 0.00 C ATOM 0 H LEU B 5 -16.615 -0.078 3.435 1.00 0.00 H new ATOM 0 HA LEU B 5 -14.043 -1.487 3.892 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -16.147 -1.568 1.765 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.479 -1.734 1.252 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.623 -3.466 3.446 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.085 -5.175 1.733 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -17.083 -3.720 1.500 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.668 -4.004 0.459 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.832 -4.997 2.721 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.331 -3.819 1.485 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.186 -3.413 3.211 1.00 0.00 H new ATOM 559 N LYS B 6 -14.768 1.173 2.117 1.00 0.00 N ATOM 560 CA LYS B 6 -14.267 2.400 1.521 1.00 0.00 C ATOM 561 C LYS B 6 -13.292 3.115 2.458 1.00 0.00 C ATOM 562 O LYS B 6 -12.389 3.818 2.007 1.00 0.00 O ATOM 563 CB LYS B 6 -15.460 3.302 1.204 1.00 0.00 C ATOM 564 CG LYS B 6 -15.090 4.739 0.869 1.00 0.00 C ATOM 565 CD LYS B 6 -16.151 5.401 0.006 1.00 0.00 C ATOM 566 CE LYS B 6 -17.333 5.870 0.840 1.00 0.00 C ATOM 567 NZ LYS B 6 -17.163 7.274 1.306 1.00 0.00 N ATOM 0 H LYS B 6 -15.784 1.086 2.082 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.721 2.161 0.608 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -16.009 2.876 0.364 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -16.136 3.304 2.059 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -14.963 5.307 1.790 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -14.133 4.757 0.348 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -15.716 6.250 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -16.495 4.698 -0.753 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -18.247 5.791 0.251 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -17.452 5.214 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.990 7.555 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -16.305 7.345 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -17.075 7.904 0.484 1.00 0.00 H new ATOM 581 N LYS B 7 -13.487 2.936 3.761 1.00 0.00 N ATOM 582 CA LYS B 7 -12.626 3.573 4.754 1.00 0.00 C ATOM 583 C LYS B 7 -11.430 2.692 5.109 1.00 0.00 C ATOM 584 O LYS B 7 -10.414 3.183 5.598 1.00 0.00 O ATOM 585 CB LYS B 7 -13.428 3.910 6.016 1.00 0.00 C ATOM 586 CG LYS B 7 -13.779 2.698 6.867 1.00 0.00 C ATOM 587 CD LYS B 7 -15.014 2.953 7.716 1.00 0.00 C ATOM 588 CE LYS B 7 -14.779 4.074 8.716 1.00 0.00 C ATOM 589 NZ LYS B 7 -15.431 3.796 10.026 1.00 0.00 N ATOM 0 H LYS B 7 -14.230 2.358 4.153 1.00 0.00 H new ATOM 0 HA LYS B 7 -12.243 4.495 4.317 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.856 4.613 6.621 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -14.349 4.416 5.725 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.951 1.836 6.222 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -12.937 2.449 7.513 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.854 3.209 7.071 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.287 2.041 8.247 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -13.708 4.209 8.865 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.164 5.009 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.247 4.584 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.457 3.693 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.045 2.917 10.426 1.00 0.00 H new ATOM 603 N ARG B 8 -11.554 1.390 4.864 1.00 0.00 N ATOM 604 CA ARG B 8 -10.473 0.457 5.167 1.00 0.00 C ATOM 605 C ARG B 8 -9.341 0.576 4.147 1.00 0.00 C ATOM 606 O ARG B 8 -8.194 0.240 4.438 1.00 0.00 O ATOM 607 CB ARG B 8 -11.005 -0.982 5.217 1.00 0.00 C ATOM 608 CG ARG B 8 -11.181 -1.633 3.849 1.00 0.00 C ATOM 609 CD ARG B 8 -10.263 -2.835 3.677 1.00 0.00 C ATOM 610 NE ARG B 8 -11.010 -4.088 3.598 1.00 0.00 N ATOM 611 CZ ARG B 8 -11.402 -4.789 4.660 1.00 0.00 C ATOM 612 NH1 ARG B 8 -11.122 -4.366 5.886 1.00 0.00 N ATOM 613 NH2 ARG B 8 -12.079 -5.918 4.493 1.00 0.00 N ATOM 0 H ARG B 8 -12.386 0.960 4.460 1.00 0.00 H new ATOM 0 HA ARG B 8 -10.070 0.713 6.147 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.322 -1.589 5.810 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.965 -0.985 5.734 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.218 -1.946 3.725 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.973 -0.901 3.068 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.668 -2.710 2.772 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.566 -2.881 4.513 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.246 -4.448 2.673 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.603 -3.498 6.020 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -11.426 -4.909 6.695 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -12.298 -6.247 3.553 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -12.380 -6.457 5.305 1.00 0.00 H new ATOM 627 N VAL B 9 -9.674 1.056 2.952 1.00 0.00 N ATOM 628 CA VAL B 9 -8.687 1.218 1.890 1.00 0.00 C ATOM 629 C VAL B 9 -7.540 2.121 2.335 1.00 0.00 C ATOM 630 O VAL B 9 -6.369 1.781 2.166 1.00 0.00 O ATOM 631 CB VAL B 9 -9.327 1.806 0.616 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.300 1.936 -0.501 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.502 0.948 0.169 1.00 0.00 C ATOM 0 H VAL B 9 -10.620 1.339 2.695 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.296 0.225 1.667 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.696 2.805 0.850 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.778 2.353 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.494 2.595 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.893 0.953 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.943 1.376 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -10.154 -0.063 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.251 0.916 0.960 1.00 0.00 H new ATOM 643 N GLN B 10 -7.884 3.274 2.900 1.00 0.00 N ATOM 644 CA GLN B 10 -6.881 4.228 3.364 1.00 0.00 C ATOM 645 C GLN B 10 -5.844 3.550 4.256 1.00 0.00 C ATOM 646 O GLN B 10 -4.701 3.997 4.339 1.00 0.00 O ATOM 647 CB GLN B 10 -7.552 5.378 4.121 1.00 0.00 C ATOM 648 CG GLN B 10 -8.117 4.974 5.473 1.00 0.00 C ATOM 649 CD GLN B 10 -9.397 5.712 5.814 1.00 0.00 C ATOM 650 OE1 GLN B 10 -9.839 6.590 5.073 1.00 0.00 O ATOM 651 NE2 GLN B 10 -10.000 5.360 6.944 1.00 0.00 N ATOM 0 H GLN B 10 -8.849 3.571 3.048 1.00 0.00 H new ATOM 0 HA GLN B 10 -6.368 4.627 2.489 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.826 6.178 4.265 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.357 5.784 3.508 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.309 3.901 5.477 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.373 5.168 6.246 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -9.599 4.627 7.529 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -10.864 5.823 7.227 1.00 0.00 H new ATOM 660 N ALA B 11 -6.249 2.473 4.920 1.00 0.00 N ATOM 661 CA ALA B 11 -5.353 1.740 5.807 1.00 0.00 C ATOM 662 C ALA B 11 -4.291 0.968 5.026 1.00 0.00 C ATOM 663 O ALA B 11 -3.304 0.507 5.600 1.00 0.00 O ATOM 664 CB ALA B 11 -6.150 0.791 6.690 1.00 0.00 C ATOM 0 H ALA B 11 -7.192 2.088 4.861 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.838 2.468 6.434 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.471 0.249 7.348 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.859 1.361 7.290 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.692 0.082 6.065 1.00 0.00 H new ATOM 670 N LEU B 12 -4.494 0.824 3.718 1.00 0.00 N ATOM 671 CA LEU B 12 -3.544 0.101 2.878 1.00 0.00 C ATOM 672 C LEU B 12 -2.620 1.066 2.141 1.00 0.00 C ATOM 673 O LEU B 12 -1.407 0.862 2.088 1.00 0.00 O ATOM 674 CB LEU B 12 -4.280 -0.777 1.858 1.00 0.00 C ATOM 675 CG LEU B 12 -5.648 -1.300 2.303 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.508 -1.631 1.092 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.493 -2.522 3.199 1.00 0.00 C ATOM 0 H LEU B 12 -5.303 1.196 3.220 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.945 -0.533 3.532 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.411 -0.205 0.940 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.646 -1.630 1.615 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.144 -0.518 2.878 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.478 -2.002 1.425 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.650 -0.733 0.490 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.014 -2.395 0.493 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.478 -2.877 3.504 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.976 -3.311 2.652 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.915 -2.254 4.083 1.00 0.00 H new ATOM 689 N LYS B 13 -3.207 2.108 1.563 1.00 0.00 N ATOM 690 CA LYS B 13 -2.442 3.101 0.815 1.00 0.00 C ATOM 691 C LYS B 13 -1.763 4.107 1.742 1.00 0.00 C ATOM 692 O LYS B 13 -0.836 4.808 1.333 1.00 0.00 O ATOM 693 CB LYS B 13 -3.346 3.832 -0.186 1.00 0.00 C ATOM 694 CG LYS B 13 -4.642 4.358 0.412 1.00 0.00 C ATOM 695 CD LYS B 13 -4.398 5.570 1.296 1.00 0.00 C ATOM 696 CE LYS B 13 -5.475 6.625 1.103 1.00 0.00 C ATOM 697 NZ LYS B 13 -4.950 7.839 0.419 1.00 0.00 N ATOM 0 H LYS B 13 -4.210 2.288 1.598 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.661 2.570 0.270 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.792 4.667 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.586 3.153 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.332 4.624 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -5.120 3.571 0.996 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.373 5.261 2.341 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.422 5.998 1.067 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.293 6.205 0.518 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.887 6.905 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.716 8.533 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.186 8.255 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.580 7.577 -0.517 1.00 0.00 H new ATOM 711 N ALA B 14 -2.219 4.176 2.988 1.00 0.00 N ATOM 712 CA ALA B 14 -1.640 5.100 3.958 1.00 0.00 C ATOM 713 C ALA B 14 -0.170 4.784 4.205 1.00 0.00 C ATOM 714 O ALA B 14 0.701 5.625 3.985 1.00 0.00 O ATOM 715 CB ALA B 14 -2.416 5.054 5.265 1.00 0.00 C ATOM 0 H ALA B 14 -2.984 3.606 3.349 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.707 6.107 3.545 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.971 5.749 5.977 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.453 5.336 5.083 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.381 4.044 5.673 1.00 0.00 H new ATOM 721 N ARG B 15 0.098 3.567 4.667 1.00 0.00 N ATOM 722 CA ARG B 15 1.463 3.139 4.948 1.00 0.00 C ATOM 723 C ARG B 15 2.176 2.698 3.673 1.00 0.00 C ATOM 724 O ARG B 15 3.397 2.813 3.562 1.00 0.00 O ATOM 725 CB ARG B 15 1.461 1.994 5.963 1.00 0.00 C ATOM 726 CG ARG B 15 2.844 1.645 6.489 1.00 0.00 C ATOM 727 CD ARG B 15 3.323 2.657 7.518 1.00 0.00 C ATOM 728 NE ARG B 15 3.802 2.012 8.738 1.00 0.00 N ATOM 729 CZ ARG B 15 4.999 1.441 8.854 1.00 0.00 C ATOM 730 NH1 ARG B 15 5.840 1.434 7.828 1.00 0.00 N ATOM 731 NH2 ARG B 15 5.355 0.876 10.000 1.00 0.00 N ATOM 0 H ARG B 15 -0.613 2.860 4.855 1.00 0.00 H new ATOM 0 HA ARG B 15 2.001 3.990 5.366 1.00 0.00 H new ATOM 0 HB2 ARG B 15 0.820 2.264 6.802 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.024 1.110 5.500 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.824 0.652 6.937 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.550 1.606 5.660 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.123 3.260 7.088 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.508 3.338 7.764 1.00 0.00 H new ATOM 0 HE ARG B 15 3.183 1.998 9.549 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.571 1.868 6.945 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.756 0.995 7.922 1.00 0.00 H new ATOM 0 HH21 ARG B 15 4.712 0.879 10.792 1.00 0.00 H new ATOM 0 HH22 ARG B 15 6.272 0.438 10.090 1.00 0.00 H new ATOM 745 N ASN B 16 1.408 2.192 2.712 1.00 0.00 N ATOM 746 CA ASN B 16 1.970 1.733 1.447 1.00 0.00 C ATOM 747 C ASN B 16 2.562 2.897 0.659 1.00 0.00 C ATOM 748 O ASN B 16 3.680 2.808 0.150 1.00 0.00 O ATOM 749 CB ASN B 16 0.895 1.026 0.620 1.00 0.00 C ATOM 750 CG ASN B 16 1.375 0.648 -0.769 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.484 0.143 -0.938 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.538 0.891 -1.770 1.00 0.00 N ATOM 0 H ASN B 16 0.396 2.090 2.786 1.00 0.00 H new ATOM 0 HA ASN B 16 2.772 1.028 1.665 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.572 0.127 1.145 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.024 1.675 0.534 1.00 0.00 H new ATOM 0 HD21 ASN B 16 0.805 0.657 -2.726 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.372 1.311 -1.583 1.00 0.00 H new ATOM 759 N TYR B 17 1.808 3.986 0.560 1.00 0.00 N ATOM 760 CA TYR B 17 2.263 5.164 -0.170 1.00 0.00 C ATOM 761 C TYR B 17 3.618 5.637 0.349 1.00 0.00 C ATOM 762 O TYR B 17 4.435 6.162 -0.407 1.00 0.00 O ATOM 763 CB TYR B 17 1.238 6.294 -0.053 1.00 0.00 C ATOM 764 CG TYR B 17 1.665 7.569 -0.744 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.361 7.793 -2.080 1.00 0.00 C ATOM 766 CD2 TYR B 17 2.378 8.545 -0.060 1.00 0.00 C ATOM 767 CE1 TYR B 17 1.754 8.956 -2.715 1.00 0.00 C ATOM 768 CE2 TYR B 17 2.774 9.711 -0.688 1.00 0.00 C ATOM 769 CZ TYR B 17 2.459 9.912 -2.015 1.00 0.00 C ATOM 770 OH TYR B 17 2.852 11.070 -2.645 1.00 0.00 O ATOM 0 H TYR B 17 0.881 4.078 0.975 1.00 0.00 H new ATOM 0 HA TYR B 17 2.371 4.888 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.291 5.960 -0.477 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.059 6.504 1.002 1.00 0.00 H new ATOM 0 HD1 TYR B 17 0.809 7.047 -2.632 1.00 0.00 H new ATOM 0 HD2 TYR B 17 2.627 8.390 0.979 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.510 9.115 -3.755 1.00 0.00 H new ATOM 0 HE2 TYR B 17 3.327 10.461 -0.142 1.00 0.00 H new ATOM 0 HH TYR B 17 3.338 11.638 -2.011 1.00 0.00 H new ATOM 780 N ALA B 18 3.848 5.446 1.644 1.00 0.00 N ATOM 781 CA ALA B 18 5.104 5.853 2.262 1.00 0.00 C ATOM 782 C ALA B 18 6.264 5.010 1.751 1.00 0.00 C ATOM 783 O ALA B 18 7.323 5.538 1.411 1.00 0.00 O ATOM 784 CB ALA B 18 5.003 5.757 3.777 1.00 0.00 C ATOM 0 H ALA B 18 3.182 5.013 2.284 1.00 0.00 H new ATOM 0 HA ALA B 18 5.296 6.890 1.989 1.00 0.00 H new ATOM 0 HB1 ALA B 18 5.948 6.064 4.225 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.205 6.410 4.131 1.00 0.00 H new ATOM 0 HB3 ALA B 18 4.783 4.728 4.063 1.00 0.00 H new ATOM 790 N LEU B 19 6.060 3.697 1.691 1.00 0.00 N ATOM 791 CA LEU B 19 7.100 2.796 1.208 1.00 0.00 C ATOM 792 C LEU B 19 7.378 3.060 -0.264 1.00 0.00 C ATOM 793 O LEU B 19 8.521 3.246 -0.664 1.00 0.00 O ATOM 794 CB LEU B 19 6.701 1.328 1.403 1.00 0.00 C ATOM 795 CG LEU B 19 5.780 1.043 2.593 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.553 -0.453 2.742 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.360 1.627 3.874 1.00 0.00 C ATOM 0 H LEU B 19 5.193 3.237 1.968 1.00 0.00 H new ATOM 0 HA LEU B 19 8.002 2.985 1.789 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.209 0.981 0.495 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.609 0.736 1.520 1.00 0.00 H new ATOM 0 HG LEU B 19 4.819 1.521 2.406 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.896 -0.639 3.592 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.091 -0.843 1.835 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.508 -0.951 2.906 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.690 1.413 4.707 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.335 1.180 4.069 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.470 2.706 3.765 1.00 0.00 H new ATOM 809 N LYS B 20 6.318 3.086 -1.067 1.00 0.00 N ATOM 810 CA LYS B 20 6.441 3.336 -2.501 1.00 0.00 C ATOM 811 C LYS B 20 7.389 4.499 -2.784 1.00 0.00 C ATOM 812 O LYS B 20 8.035 4.549 -3.831 1.00 0.00 O ATOM 813 CB LYS B 20 5.066 3.639 -3.096 1.00 0.00 C ATOM 814 CG LYS B 20 4.850 3.030 -4.474 1.00 0.00 C ATOM 815 CD LYS B 20 3.604 2.161 -4.510 1.00 0.00 C ATOM 816 CE LYS B 20 2.342 2.985 -4.303 1.00 0.00 C ATOM 817 NZ LYS B 20 1.638 3.256 -5.587 1.00 0.00 N ATOM 0 H LYS B 20 5.361 2.936 -0.748 1.00 0.00 H new ATOM 0 HA LYS B 20 6.853 2.439 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.297 3.267 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.938 4.719 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.762 3.825 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.719 2.433 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.548 1.643 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.671 1.396 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS B 20 1.671 2.457 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.600 3.930 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.784 3.820 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 2.269 3.782 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.369 2.355 -6.032 1.00 0.00 H new ATOM 831 N GLN B 21 7.455 5.438 -1.847 1.00 0.00 N ATOM 832 CA GLN B 21 8.310 6.609 -1.995 1.00 0.00 C ATOM 833 C GLN B 21 9.771 6.286 -1.675 1.00 0.00 C ATOM 834 O GLN B 21 10.679 6.748 -2.366 1.00 0.00 O ATOM 835 CB GLN B 21 7.808 7.737 -1.089 1.00 0.00 C ATOM 836 CG GLN B 21 8.715 8.959 -1.068 1.00 0.00 C ATOM 837 CD GLN B 21 8.697 9.720 -2.378 1.00 0.00 C ATOM 838 OE1 GLN B 21 8.146 10.818 -2.465 1.00 0.00 O ATOM 839 NE2 GLN B 21 9.300 9.139 -3.409 1.00 0.00 N ATOM 0 H GLN B 21 6.926 5.411 -0.976 1.00 0.00 H new ATOM 0 HA GLN B 21 8.263 6.930 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.814 8.040 -1.418 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.705 7.356 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.405 9.624 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.736 8.646 -0.848 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.744 8.228 -3.293 1.00 0.00 H new ATOM 0 HE22 GLN B 21 9.319 9.604 -4.317 1.00 0.00 H new ATOM 848 N LYS B 22 9.994 5.505 -0.622 1.00 0.00 N ATOM 849 CA LYS B 22 11.349 5.143 -0.215 1.00 0.00 C ATOM 850 C LYS B 22 11.817 3.855 -0.890 1.00 0.00 C ATOM 851 O LYS B 22 13.017 3.629 -1.039 1.00 0.00 O ATOM 852 CB LYS B 22 11.423 4.989 1.304 1.00 0.00 C ATOM 853 CG LYS B 22 10.408 4.008 1.867 1.00 0.00 C ATOM 854 CD LYS B 22 11.085 2.823 2.537 1.00 0.00 C ATOM 855 CE LYS B 22 11.777 3.230 3.828 1.00 0.00 C ATOM 856 NZ LYS B 22 10.990 2.835 5.028 1.00 0.00 N ATOM 0 H LYS B 22 9.257 5.112 -0.037 1.00 0.00 H new ATOM 0 HA LYS B 22 12.012 5.948 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.425 4.660 1.579 1.00 0.00 H new ATOM 0 HB3 LYS B 22 11.269 5.964 1.767 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.770 4.518 2.588 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.762 3.652 1.065 1.00 0.00 H new ATOM 0 HD2 LYS B 22 10.344 2.052 2.748 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.814 2.386 1.855 1.00 0.00 H new ATOM 0 HE2 LYS B 22 12.763 2.768 3.872 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.930 4.309 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 11.496 3.130 5.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 10.058 3.296 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 10.866 1.803 5.037 1.00 0.00 H new ATOM 870 N VAL B 23 10.866 3.014 -1.293 1.00 0.00 N ATOM 871 CA VAL B 23 11.179 1.743 -1.947 1.00 0.00 C ATOM 872 C VAL B 23 12.296 1.905 -2.976 1.00 0.00 C ATOM 873 O VAL B 23 13.354 1.288 -2.858 1.00 0.00 O ATOM 874 CB VAL B 23 9.934 1.144 -2.639 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.316 -0.043 -3.515 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.894 0.734 -1.606 1.00 0.00 C ATOM 0 H VAL B 23 9.868 3.190 -1.178 1.00 0.00 H new ATOM 0 HA VAL B 23 11.513 1.062 -1.164 1.00 0.00 H new ATOM 0 HB VAL B 23 9.500 1.912 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.422 -0.447 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.020 0.282 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.780 -0.815 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.024 0.314 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.321 -0.014 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.591 1.607 -1.028 1.00 0.00 H new ATOM 886 N GLN B 24 12.053 2.733 -3.986 1.00 0.00 N ATOM 887 CA GLN B 24 13.042 2.963 -5.030 1.00 0.00 C ATOM 888 C GLN B 24 14.290 3.646 -4.471 1.00 0.00 C ATOM 889 O GLN B 24 15.339 3.664 -5.113 1.00 0.00 O ATOM 890 CB GLN B 24 12.448 3.800 -6.162 1.00 0.00 C ATOM 891 CG GLN B 24 11.817 5.102 -5.695 1.00 0.00 C ATOM 892 CD GLN B 24 11.334 5.961 -6.846 1.00 0.00 C ATOM 893 OE1 GLN B 24 10.170 6.357 -6.896 1.00 0.00 O ATOM 894 NE2 GLN B 24 12.231 6.255 -7.782 1.00 0.00 N ATOM 0 H GLN B 24 11.184 3.253 -4.103 1.00 0.00 H new ATOM 0 HA GLN B 24 13.334 1.991 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN B 24 13.232 4.026 -6.885 1.00 0.00 H new ATOM 0 HB3 GLN B 24 11.695 3.208 -6.683 1.00 0.00 H new ATOM 0 HG2 GLN B 24 10.978 4.879 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN B 24 12.543 5.663 -5.107 1.00 0.00 H new ATOM 0 HE21 GLN B 24 13.186 5.906 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN B 24 11.964 6.830 -8.581 1.00 0.00 H new ATOM 903 N ALA B 25 14.176 4.200 -3.269 1.00 0.00 N ATOM 904 CA ALA B 25 15.302 4.867 -2.631 1.00 0.00 C ATOM 905 C ALA B 25 16.203 3.851 -1.934 1.00 0.00 C ATOM 906 O ALA B 25 17.394 4.091 -1.739 1.00 0.00 O ATOM 907 CB ALA B 25 14.807 5.911 -1.640 1.00 0.00 C ATOM 0 H ALA B 25 13.317 4.200 -2.719 1.00 0.00 H new ATOM 0 HA ALA B 25 15.887 5.371 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.660 6.401 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA B 25 14.205 6.653 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.201 5.427 -0.874 1.00 0.00 H new ATOM 913 N LEU B 26 15.621 2.714 -1.560 1.00 0.00 N ATOM 914 CA LEU B 26 16.363 1.656 -0.882 1.00 0.00 C ATOM 915 C LEU B 26 17.186 0.835 -1.871 1.00 0.00 C ATOM 916 O LEU B 26 18.386 0.637 -1.679 1.00 0.00 O ATOM 917 CB LEU B 26 15.400 0.737 -0.129 1.00 0.00 C ATOM 918 CG LEU B 26 14.446 1.449 0.828 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.465 0.460 1.437 1.00 0.00 C ATOM 920 CD2 LEU B 26 15.225 2.170 1.919 1.00 0.00 C ATOM 0 H LEU B 26 14.635 2.502 -1.716 1.00 0.00 H new ATOM 0 HA LEU B 26 17.046 2.128 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.811 0.178 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.983 0.010 0.436 1.00 0.00 H new ATOM 0 HG LEU B 26 13.880 2.190 0.263 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.793 0.985 2.116 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.884 -0.011 0.644 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.013 -0.304 1.988 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.529 2.672 2.592 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.817 1.448 2.481 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.888 2.908 1.466 1.00 0.00 H new ATOM 932 N ARG B 27 16.532 0.349 -2.923 1.00 0.00 N ATOM 933 CA ARG B 27 17.200 -0.463 -3.938 1.00 0.00 C ATOM 934 C ARG B 27 18.493 0.199 -4.417 1.00 0.00 C ATOM 935 O ARG B 27 19.437 -0.481 -4.821 1.00 0.00 O ATOM 936 CB ARG B 27 16.238 -0.734 -5.111 1.00 0.00 C ATOM 937 CG ARG B 27 16.420 0.167 -6.329 1.00 0.00 C ATOM 938 CD ARG B 27 15.313 1.197 -6.417 1.00 0.00 C ATOM 939 NE ARG B 27 15.687 2.336 -7.251 1.00 0.00 N ATOM 940 CZ ARG B 27 15.577 2.353 -8.579 1.00 0.00 C ATOM 941 NH1 ARG B 27 15.111 1.293 -9.229 1.00 0.00 N ATOM 942 NH2 ARG B 27 15.937 3.433 -9.258 1.00 0.00 N ATOM 0 H ARG B 27 15.539 0.503 -3.095 1.00 0.00 H new ATOM 0 HA ARG B 27 17.477 -1.418 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG B 27 16.359 -1.771 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG B 27 15.215 -0.628 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG B 27 17.385 0.670 -6.272 1.00 0.00 H new ATOM 0 HG3 ARG B 27 16.430 -0.439 -7.235 1.00 0.00 H new ATOM 0 HD2 ARG B 27 14.416 0.730 -6.823 1.00 0.00 H new ATOM 0 HD3 ARG B 27 15.064 1.548 -5.415 1.00 0.00 H new ATOM 0 HE ARG B 27 16.054 3.168 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG B 27 14.834 0.459 -8.712 1.00 0.00 H new ATOM 0 HH12 ARG B 27 15.030 1.313 -10.246 1.00 0.00 H new ATOM 0 HH21 ARG B 27 16.298 4.249 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG B 27 15.853 3.448 -10.274 1.00 0.00 H new