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 Set 1.1: A 17 TYR OH : rot -71:sc= 0.899 USER MOD Set 1.2: A 21 GLN : amide:sc= -1.3 K(o=-0.4,f=-1!) USER MOD Single : A 7 LYS NZ :NH3+ -115:sc= -1.13 (180deg=-2.8!) USER MOD Single : A 11 GLN : amide:sc= -0.235 K(o=-0.24,f=-0.86) USER MOD Single : A 16 ASN : amide:sc= -3.55! C(o=-3.6!,f=-3.9!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : B 3 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.2!) 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= -2.39 K(o=-2.4,f=-3.8!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -3.68! C(o=-3.7!,f=-7.3!) 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= -0.393 K(o=-0.39,f=-2.9!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.0435 K(o=-0.044,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -14.667 0.982 -4.423 1.00 0.00 N ATOM 66 CA LEU A 5 -14.190 0.980 -3.045 1.00 0.00 C ATOM 67 C LEU A 5 -13.763 -0.420 -2.618 1.00 0.00 C ATOM 68 O LEU A 5 -12.855 -0.581 -1.802 1.00 0.00 O ATOM 69 CB LEU A 5 -15.279 1.505 -2.107 1.00 0.00 C ATOM 70 CG LEU A 5 -15.415 3.027 -2.062 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.662 3.430 -1.290 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.175 3.654 -1.444 1.00 0.00 C ATOM 0 HA LEU A 5 -13.322 1.636 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.235 1.079 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.074 1.144 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.513 3.395 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.741 4.517 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.543 3.011 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.597 3.051 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.289 4.738 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.046 3.280 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.300 3.394 -2.040 1.00 0.00 H new ATOM 84 N GLU A 6 -14.422 -1.430 -3.176 1.00 0.00 N ATOM 85 CA GLU A 6 -14.108 -2.816 -2.855 1.00 0.00 C ATOM 86 C GLU A 6 -12.855 -3.272 -3.595 1.00 0.00 C ATOM 87 O GLU A 6 -12.062 -4.055 -3.072 1.00 0.00 O ATOM 88 CB GLU A 6 -15.287 -3.723 -3.213 1.00 0.00 C ATOM 89 CG GLU A 6 -16.458 -3.604 -2.254 1.00 0.00 C ATOM 90 CD GLU A 6 -17.384 -4.803 -2.312 1.00 0.00 C ATOM 91 OE1 GLU A 6 -16.885 -5.930 -2.507 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.610 -4.614 -2.162 1.00 0.00 O ATOM 0 H GLU A 6 -15.177 -1.314 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.920 -2.884 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.627 -3.482 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.946 -4.758 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.080 -3.490 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.023 -2.702 -2.487 1.00 0.00 H new ATOM 99 N LYS A 7 -12.683 -2.775 -4.815 1.00 0.00 N ATOM 100 CA LYS A 7 -11.526 -3.128 -5.630 1.00 0.00 C ATOM 101 C LYS A 7 -10.292 -2.354 -5.182 1.00 0.00 C ATOM 102 O LYS A 7 -9.165 -2.832 -5.314 1.00 0.00 O ATOM 103 CB LYS A 7 -11.810 -2.852 -7.109 1.00 0.00 C ATOM 104 CG LYS A 7 -13.183 -3.321 -7.566 1.00 0.00 C ATOM 105 CD LYS A 7 -13.102 -4.628 -8.339 1.00 0.00 C ATOM 106 CE LYS A 7 -12.324 -4.463 -9.634 1.00 0.00 C ATOM 107 NZ LYS A 7 -10.900 -4.877 -9.487 1.00 0.00 N ATOM 0 H LYS A 7 -13.331 -2.126 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.333 -4.193 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.722 -1.781 -7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.048 -3.343 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.831 -3.451 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.639 -2.555 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.624 -5.388 -7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.108 -4.984 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.795 -5.056 -10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.368 -3.422 -9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.283 -4.050 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.751 -5.277 -8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.671 -5.593 -10.205 1.00 0.00 H new ATOM 121 N GLU A 8 -10.510 -1.155 -4.647 1.00 0.00 N ATOM 122 CA GLU A 8 -9.412 -0.319 -4.177 1.00 0.00 C ATOM 123 C GLU A 8 -8.601 -1.041 -3.104 1.00 0.00 C ATOM 124 O GLU A 8 -7.417 -0.764 -2.915 1.00 0.00 O ATOM 125 CB GLU A 8 -9.946 1.003 -3.629 1.00 0.00 C ATOM 126 CG GLU A 8 -8.878 2.074 -3.474 1.00 0.00 C ATOM 127 CD GLU A 8 -9.452 3.416 -3.066 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.625 3.687 -3.399 1.00 0.00 O ATOM 129 OE2 GLU A 8 -8.728 4.196 -2.412 1.00 0.00 O ATOM 0 H GLU A 8 -11.435 -0.743 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.758 -0.112 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.726 1.373 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.412 0.823 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.152 1.752 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.340 2.184 -4.416 1.00 0.00 H new ATOM 136 N VAL A 9 -9.246 -1.973 -2.407 1.00 0.00 N ATOM 137 CA VAL A 9 -8.583 -2.739 -1.359 1.00 0.00 C ATOM 138 C VAL A 9 -7.629 -3.762 -1.965 1.00 0.00 C ATOM 139 O VAL A 9 -6.423 -3.720 -1.722 1.00 0.00 O ATOM 140 CB VAL A 9 -9.607 -3.461 -0.456 1.00 0.00 C ATOM 141 CG1 VAL A 9 -8.909 -4.375 0.542 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.481 -2.450 0.268 1.00 0.00 C ATOM 0 H VAL A 9 -10.227 -2.215 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.018 -2.035 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.241 -4.079 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.654 -4.870 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.329 -5.125 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.244 -3.785 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.197 -2.975 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.856 -1.805 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.017 -1.844 -0.462 1.00 0.00 H new ATOM 152 N ALA A 10 -8.176 -4.678 -2.760 1.00 0.00 N ATOM 153 CA ALA A 10 -7.371 -5.707 -3.407 1.00 0.00 C ATOM 154 C ALA A 10 -6.201 -5.087 -4.164 1.00 0.00 C ATOM 155 O ALA A 10 -5.166 -5.724 -4.362 1.00 0.00 O ATOM 156 CB ALA A 10 -8.232 -6.535 -4.349 1.00 0.00 C ATOM 0 H ALA A 10 -9.173 -4.728 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.967 -6.361 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.618 -7.300 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.033 -7.012 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.662 -5.887 -5.113 1.00 0.00 H new ATOM 162 N GLN A 11 -6.373 -3.836 -4.580 1.00 0.00 N ATOM 163 CA GLN A 11 -5.335 -3.121 -5.311 1.00 0.00 C ATOM 164 C GLN A 11 -4.146 -2.817 -4.403 1.00 0.00 C ATOM 165 O GLN A 11 -2.996 -3.051 -4.775 1.00 0.00 O ATOM 166 CB GLN A 11 -5.901 -1.824 -5.894 1.00 0.00 C ATOM 167 CG GLN A 11 -4.861 -0.964 -6.599 1.00 0.00 C ATOM 168 CD GLN A 11 -4.628 0.361 -5.902 1.00 0.00 C ATOM 169 OE1 GLN A 11 -5.547 0.945 -5.329 1.00 0.00 O ATOM 170 NE2 GLN A 11 -3.391 0.844 -5.947 1.00 0.00 N ATOM 0 H GLN A 11 -7.224 -3.296 -4.422 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.989 -3.755 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.695 -2.069 -6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.356 -1.243 -5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.920 -1.511 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.183 -0.779 -7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.659 0.327 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.174 1.732 -5.495 1.00 0.00 H new ATOM 179 N LEU A 12 -4.429 -2.294 -3.213 1.00 0.00 N ATOM 180 CA LEU A 12 -3.377 -1.962 -2.258 1.00 0.00 C ATOM 181 C LEU A 12 -2.954 -3.188 -1.458 1.00 0.00 C ATOM 182 O LEU A 12 -1.794 -3.320 -1.076 1.00 0.00 O ATOM 183 CB LEU A 12 -3.844 -0.859 -1.308 1.00 0.00 C ATOM 184 CG LEU A 12 -4.419 0.383 -1.988 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.180 1.234 -0.986 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.307 1.192 -2.640 1.00 0.00 C ATOM 0 H LEU A 12 -5.375 -2.092 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.516 -1.605 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.601 -1.272 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.002 -0.556 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.114 0.063 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.582 2.114 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.998 0.652 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.506 1.547 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.732 2.073 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.590 1.503 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.802 0.580 -3.387 1.00 0.00 H new ATOM 198 N GLU A 13 -3.901 -4.083 -1.203 1.00 0.00 N ATOM 199 CA GLU A 13 -3.615 -5.295 -0.445 1.00 0.00 C ATOM 200 C GLU A 13 -2.551 -6.138 -1.144 1.00 0.00 C ATOM 201 O GLU A 13 -1.852 -6.926 -0.506 1.00 0.00 O ATOM 202 CB GLU A 13 -4.891 -6.114 -0.248 1.00 0.00 C ATOM 203 CG GLU A 13 -5.575 -5.861 1.086 1.00 0.00 C ATOM 204 CD GLU A 13 -6.842 -6.676 1.259 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.006 -7.678 0.533 1.00 0.00 O ATOM 206 OE2 GLU A 13 -7.670 -6.311 2.120 1.00 0.00 O ATOM 0 H GLU A 13 -4.870 -3.993 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.231 -5.000 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.588 -5.885 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.649 -7.174 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.883 -6.097 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.815 -4.801 1.171 1.00 0.00 H new ATOM 213 N ALA A 14 -2.431 -5.966 -2.457 1.00 0.00 N ATOM 214 CA ALA A 14 -1.451 -6.710 -3.239 1.00 0.00 C ATOM 215 C ALA A 14 -0.124 -5.960 -3.311 1.00 0.00 C ATOM 216 O ALA A 14 0.945 -6.570 -3.308 1.00 0.00 O ATOM 217 CB ALA A 14 -1.984 -6.977 -4.638 1.00 0.00 C ATOM 0 H ALA A 14 -3.000 -5.318 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.274 -7.664 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.242 -7.533 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.903 -7.560 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.190 -6.029 -5.136 1.00 0.00 H new ATOM 223 N GLU A 15 -0.201 -4.634 -3.375 1.00 0.00 N ATOM 224 CA GLU A 15 0.994 -3.801 -3.448 1.00 0.00 C ATOM 225 C GLU A 15 1.531 -3.498 -2.052 1.00 0.00 C ATOM 226 O GLU A 15 2.695 -3.765 -1.753 1.00 0.00 O ATOM 227 CB GLU A 15 0.688 -2.495 -4.184 1.00 0.00 C ATOM 228 CG GLU A 15 1.929 -1.702 -4.559 1.00 0.00 C ATOM 229 CD GLU A 15 2.328 -1.894 -6.009 1.00 0.00 C ATOM 230 OE1 GLU A 15 3.066 -2.859 -6.300 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.901 -1.079 -6.855 1.00 0.00 O ATOM 0 H GLU A 15 -1.078 -4.114 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 15 1.756 -4.350 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.125 -2.721 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.047 -1.876 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.749 -0.643 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.756 -2.003 -3.916 1.00 0.00 H new ATOM 238 N ASN A 16 0.675 -2.939 -1.201 1.00 0.00 N ATOM 239 CA ASN A 16 1.057 -2.599 0.166 1.00 0.00 C ATOM 240 C ASN A 16 1.721 -3.784 0.864 1.00 0.00 C ATOM 241 O ASN A 16 2.560 -3.606 1.747 1.00 0.00 O ATOM 242 CB ASN A 16 -0.172 -2.150 0.957 1.00 0.00 C ATOM 243 CG ASN A 16 0.173 -1.716 2.367 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.305 -1.321 2.649 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.802 -1.789 3.262 1.00 0.00 N ATOM 0 H ASN A 16 -0.291 -2.711 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 16 1.777 -1.782 0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.655 -1.325 0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.892 -2.967 0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.629 -1.512 4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.725 -2.122 2.984 1.00 0.00 H new ATOM 252 N TYR A 17 1.338 -4.991 0.461 1.00 0.00 N ATOM 253 CA TYR A 17 1.894 -6.206 1.048 1.00 0.00 C ATOM 254 C TYR A 17 3.180 -6.616 0.335 1.00 0.00 C ATOM 255 O TYR A 17 4.169 -6.972 0.974 1.00 0.00 O ATOM 256 CB TYR A 17 0.870 -7.342 0.975 1.00 0.00 C ATOM 257 CG TYR A 17 1.403 -8.678 1.442 1.00 0.00 C ATOM 258 CD1 TYR A 17 1.573 -8.947 2.795 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.737 -9.671 0.529 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.059 -10.167 3.224 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.224 -10.894 0.952 1.00 0.00 C ATOM 262 CZ TYR A 17 2.383 -11.137 2.300 1.00 0.00 C ATOM 263 OH TYR A 17 2.867 -12.353 2.724 1.00 0.00 O ATOM 0 H TYR A 17 0.645 -5.155 -0.269 1.00 0.00 H new ATOM 0 HA TYR A 17 2.130 -6.003 2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.003 -7.076 1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.523 -7.440 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.321 -8.190 3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.614 -9.485 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.185 -10.360 4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.479 -11.656 0.230 1.00 0.00 H new ATOM 0 HH TYR A 17 3.779 -12.241 3.065 1.00 0.00 H new ATOM 273 N GLN A 18 3.155 -6.567 -0.992 1.00 0.00 N ATOM 274 CA GLN A 18 4.315 -6.938 -1.794 1.00 0.00 C ATOM 275 C GLN A 18 5.493 -6.000 -1.538 1.00 0.00 C ATOM 276 O GLN A 18 6.639 -6.343 -1.826 1.00 0.00 O ATOM 277 CB GLN A 18 3.954 -6.927 -3.281 1.00 0.00 C ATOM 278 CG GLN A 18 3.501 -8.280 -3.805 1.00 0.00 C ATOM 279 CD GLN A 18 3.887 -8.502 -5.254 1.00 0.00 C ATOM 280 OE1 GLN A 18 3.495 -7.738 -6.137 1.00 0.00 O ATOM 281 NE2 GLN A 18 4.656 -9.555 -5.508 1.00 0.00 N ATOM 0 H GLN A 18 2.343 -6.274 -1.536 1.00 0.00 H new ATOM 0 HA GLN A 18 4.614 -7.945 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.162 -6.197 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.820 -6.595 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.938 -9.068 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.419 -8.361 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.958 -10.162 -4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.945 -9.757 -6.465 1.00 0.00 H new ATOM 290 N LEU A 19 5.209 -4.817 -1.000 1.00 0.00 N ATOM 291 CA LEU A 19 6.253 -3.842 -0.712 1.00 0.00 C ATOM 292 C LEU A 19 6.741 -3.970 0.725 1.00 0.00 C ATOM 293 O LEU A 19 7.933 -4.144 0.972 1.00 0.00 O ATOM 294 CB LEU A 19 5.736 -2.425 -0.961 1.00 0.00 C ATOM 295 CG LEU A 19 5.232 -2.160 -2.380 1.00 0.00 C ATOM 296 CD1 LEU A 19 4.420 -0.875 -2.427 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.398 -2.089 -3.354 1.00 0.00 C ATOM 0 H LEU A 19 4.267 -4.512 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 19 7.092 -4.041 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.926 -2.222 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.535 -1.718 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 19 4.585 -2.986 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.070 -0.703 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.564 -0.961 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.044 -0.039 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.021 -1.900 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.069 -1.282 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.940 -3.034 -3.342 1.00 0.00 H new ATOM 309 N GLU A 20 5.812 -3.881 1.674 1.00 0.00 N ATOM 310 CA GLU A 20 6.148 -3.985 3.093 1.00 0.00 C ATOM 311 C GLU A 20 7.079 -5.165 3.360 1.00 0.00 C ATOM 312 O GLU A 20 7.875 -5.138 4.300 1.00 0.00 O ATOM 313 CB GLU A 20 4.874 -4.128 3.926 1.00 0.00 C ATOM 314 CG GLU A 20 5.075 -3.821 5.402 1.00 0.00 C ATOM 315 CD GLU A 20 3.789 -3.927 6.199 1.00 0.00 C ATOM 316 OE1 GLU A 20 2.955 -3.001 6.106 1.00 0.00 O ATOM 317 OE2 GLU A 20 3.617 -4.934 6.916 1.00 0.00 O ATOM 0 H GLU A 20 4.820 -3.737 1.486 1.00 0.00 H new ATOM 0 HA GLU A 20 6.669 -3.072 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.111 -3.461 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.495 -5.145 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.812 -4.509 5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.482 -2.816 5.508 1.00 0.00 H new ATOM 324 N GLN A 21 6.976 -6.198 2.532 1.00 0.00 N ATOM 325 CA GLN A 21 7.810 -7.385 2.682 1.00 0.00 C ATOM 326 C GLN A 21 9.122 -7.231 1.917 1.00 0.00 C ATOM 327 O GLN A 21 10.145 -7.795 2.305 1.00 0.00 O ATOM 328 CB GLN A 21 7.059 -8.626 2.195 1.00 0.00 C ATOM 329 CG GLN A 21 7.029 -9.755 3.211 1.00 0.00 C ATOM 330 CD GLN A 21 5.983 -10.804 2.886 1.00 0.00 C ATOM 331 OE1 GLN A 21 4.876 -10.782 3.424 1.00 0.00 O ATOM 332 NE2 GLN A 21 6.331 -11.731 2.000 1.00 0.00 N ATOM 0 H GLN A 21 6.323 -6.238 1.749 1.00 0.00 H new ATOM 0 HA GLN A 21 8.043 -7.504 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.036 -8.346 1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.525 -8.986 1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.011 -10.227 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.830 -9.343 4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.260 -11.711 1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.669 -12.463 1.741 1.00 0.00 H new ATOM 341 N GLU A 22 9.085 -6.468 0.829 1.00 0.00 N ATOM 342 CA GLU A 22 10.273 -6.247 0.013 1.00 0.00 C ATOM 343 C GLU A 22 11.136 -5.134 0.599 1.00 0.00 C ATOM 344 O GLU A 22 12.365 -5.191 0.540 1.00 0.00 O ATOM 345 CB GLU A 22 9.874 -5.898 -1.424 1.00 0.00 C ATOM 346 CG GLU A 22 10.449 -6.848 -2.462 1.00 0.00 C ATOM 347 CD GLU A 22 9.821 -6.667 -3.830 1.00 0.00 C ATOM 348 OE1 GLU A 22 9.387 -5.537 -4.139 1.00 0.00 O ATOM 349 OE2 GLU A 22 9.761 -7.655 -4.591 1.00 0.00 O ATOM 0 H GLU A 22 8.247 -5.993 0.493 1.00 0.00 H new ATOM 0 HA GLU A 22 10.855 -7.168 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.787 -5.903 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.205 -4.884 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.525 -6.690 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.299 -7.876 -2.131 1.00 0.00 H new ATOM 356 N VAL A 23 10.485 -4.125 1.164 1.00 0.00 N ATOM 357 CA VAL A 23 11.191 -2.998 1.763 1.00 0.00 C ATOM 358 C VAL A 23 12.107 -3.463 2.889 1.00 0.00 C ATOM 359 O VAL A 23 13.146 -2.856 3.148 1.00 0.00 O ATOM 360 CB VAL A 23 10.209 -1.944 2.313 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.942 -0.653 2.643 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.080 -1.690 1.322 1.00 0.00 C ATOM 0 H VAL A 23 9.468 -4.063 1.220 1.00 0.00 H new ATOM 0 HA VAL A 23 11.790 -2.544 0.974 1.00 0.00 H new ATOM 0 HB VAL A 23 9.769 -2.330 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.233 0.079 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.706 -0.850 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.413 -0.261 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.399 -0.943 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.496 -1.327 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.537 -2.618 1.144 1.00 0.00 H new ATOM 372 N ALA A 24 11.714 -4.545 3.553 1.00 0.00 N ATOM 373 CA ALA A 24 12.499 -5.095 4.651 1.00 0.00 C ATOM 374 C ALA A 24 13.851 -5.598 4.155 1.00 0.00 C ATOM 375 O ALA A 24 14.841 -5.573 4.888 1.00 0.00 O ATOM 376 CB ALA A 24 11.735 -6.218 5.334 1.00 0.00 C ATOM 0 H ALA A 24 10.856 -5.058 3.349 1.00 0.00 H new ATOM 0 HA ALA A 24 12.677 -4.300 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.333 -6.620 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.795 -5.832 5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.529 -7.009 4.613 1.00 0.00 H new ATOM 382 N GLN A 25 13.886 -6.052 2.906 1.00 0.00 N ATOM 383 CA GLN A 25 15.116 -6.560 2.310 1.00 0.00 C ATOM 384 C GLN A 25 15.919 -5.428 1.678 1.00 0.00 C ATOM 385 O GLN A 25 17.149 -5.442 1.694 1.00 0.00 O ATOM 386 CB GLN A 25 14.796 -7.623 1.258 1.00 0.00 C ATOM 387 CG GLN A 25 14.766 -9.038 1.812 1.00 0.00 C ATOM 388 CD GLN A 25 14.730 -10.089 0.719 1.00 0.00 C ATOM 389 OE1 GLN A 25 13.827 -10.925 0.675 1.00 0.00 O ATOM 390 NE2 GLN A 25 15.716 -10.053 -0.170 1.00 0.00 N ATOM 0 H GLN A 25 13.076 -6.078 2.287 1.00 0.00 H new ATOM 0 HA GLN A 25 15.716 -7.011 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.829 -7.397 0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.538 -7.569 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.644 -9.199 2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.892 -9.155 2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.444 -9.343 -0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.745 -10.736 -0.927 1.00 0.00 H new ATOM 399 N LEU A 26 15.213 -4.447 1.122 1.00 0.00 N ATOM 400 CA LEU A 26 15.860 -3.306 0.485 1.00 0.00 C ATOM 401 C LEU A 26 16.768 -2.575 1.469 1.00 0.00 C ATOM 402 O LEU A 26 17.988 -2.563 1.311 1.00 0.00 O ATOM 403 CB LEU A 26 14.809 -2.343 -0.070 1.00 0.00 C ATOM 404 CG LEU A 26 13.938 -2.910 -1.192 1.00 0.00 C ATOM 405 CD1 LEU A 26 12.873 -1.904 -1.602 1.00 0.00 C ATOM 406 CD2 LEU A 26 14.795 -3.301 -2.386 1.00 0.00 C ATOM 0 H LEU A 26 14.194 -4.420 1.100 1.00 0.00 H new ATOM 0 HA LEU A 26 16.472 -3.679 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.161 -2.027 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.315 -1.451 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 26 13.438 -3.805 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.263 -2.325 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.240 -1.675 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.352 -0.990 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.159 -3.702 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.323 -2.423 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.518 -4.058 -2.083 1.00 0.00 H new ATOM 418 N GLU A 27 16.164 -1.969 2.485 1.00 0.00 N ATOM 419 CA GLU A 27 16.919 -1.238 3.496 1.00 0.00 C ATOM 420 C GLU A 27 17.311 -2.158 4.650 1.00 0.00 C ATOM 421 O GLU A 27 17.061 -1.850 5.816 1.00 0.00 O ATOM 422 CB GLU A 27 16.099 -0.056 4.021 1.00 0.00 C ATOM 423 CG GLU A 27 14.756 -0.460 4.610 1.00 0.00 C ATOM 424 CD GLU A 27 14.530 0.114 5.995 1.00 0.00 C ATOM 425 OE1 GLU A 27 14.802 1.317 6.190 1.00 0.00 O ATOM 426 OE2 GLU A 27 14.082 -0.640 6.885 1.00 0.00 O ATOM 0 H GLU A 27 15.154 -1.969 2.630 1.00 0.00 H new ATOM 0 HA GLU A 27 17.830 -0.858 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.678 0.467 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.932 0.649 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.958 -0.126 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.697 -1.547 4.657 1.00 0.00 H new ATOM 513 N GLN B 3 -18.588 2.044 3.539 1.00 0.00 N ATOM 514 CA GLN B 3 -17.699 2.539 4.586 1.00 0.00 C ATOM 515 C GLN B 3 -16.905 1.401 5.210 1.00 0.00 C ATOM 516 O GLN B 3 -15.730 1.554 5.541 1.00 0.00 O ATOM 517 CB GLN B 3 -18.507 3.261 5.667 1.00 0.00 C ATOM 518 CG GLN B 3 -17.813 4.493 6.223 1.00 0.00 C ATOM 519 CD GLN B 3 -18.790 5.510 6.780 1.00 0.00 C ATOM 520 OE1 GLN B 3 -19.968 5.514 6.425 1.00 0.00 O ATOM 521 NE2 GLN B 3 -18.304 6.380 7.658 1.00 0.00 N ATOM 0 HA GLN B 3 -16.999 3.240 4.131 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -19.472 3.553 5.253 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -18.707 2.567 6.484 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -17.120 4.192 7.009 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -17.220 4.958 5.436 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -17.320 6.340 7.924 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -18.915 7.088 8.066 1.00 0.00 H new ATOM 530 N ALA B 4 -17.557 0.256 5.364 1.00 0.00 N ATOM 531 CA ALA B 4 -16.913 -0.916 5.947 1.00 0.00 C ATOM 532 C ALA B 4 -15.646 -1.279 5.179 1.00 0.00 C ATOM 533 O ALA B 4 -14.656 -1.719 5.762 1.00 0.00 O ATOM 534 CB ALA B 4 -17.877 -2.092 5.974 1.00 0.00 C ATOM 0 H ALA B 4 -18.530 0.113 5.094 1.00 0.00 H new ATOM 0 HA ALA B 4 -16.630 -0.675 6.972 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -17.382 -2.959 6.412 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -18.750 -1.833 6.572 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -18.191 -2.329 4.957 1.00 0.00 H new ATOM 540 N LEU B 5 -15.688 -1.083 3.866 1.00 0.00 N ATOM 541 CA LEU B 5 -14.549 -1.377 3.005 1.00 0.00 C ATOM 542 C LEU B 5 -13.942 -0.097 2.431 1.00 0.00 C ATOM 543 O LEU B 5 -12.885 -0.125 1.801 1.00 0.00 O ATOM 544 CB LEU B 5 -14.980 -2.296 1.865 1.00 0.00 C ATOM 545 CG LEU B 5 -14.845 -3.793 2.147 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.835 -4.586 1.306 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.421 -4.259 1.878 1.00 0.00 C ATOM 0 H LEU B 5 -16.503 -0.720 3.373 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.791 -1.874 3.610 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -16.020 -2.081 1.620 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.389 -2.054 0.982 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.071 -3.968 3.199 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -15.724 -5.649 1.520 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.851 -4.271 1.546 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.640 -4.406 0.249 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.343 -5.327 2.084 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.168 -4.071 0.835 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -12.732 -3.714 2.523 1.00 0.00 H new ATOM 559 N LYS B 6 -14.630 1.016 2.642 1.00 0.00 N ATOM 560 CA LYS B 6 -14.191 2.309 2.145 1.00 0.00 C ATOM 561 C LYS B 6 -13.140 2.919 3.072 1.00 0.00 C ATOM 562 O LYS B 6 -12.224 3.606 2.622 1.00 0.00 O ATOM 563 CB LYS B 6 -15.420 3.223 2.010 1.00 0.00 C ATOM 564 CG LYS B 6 -15.235 4.650 2.515 1.00 0.00 C ATOM 565 CD LYS B 6 -14.416 5.485 1.544 1.00 0.00 C ATOM 566 CE LYS B 6 -14.921 6.918 1.477 1.00 0.00 C ATOM 567 NZ LYS B 6 -13.855 7.900 1.822 1.00 0.00 N ATOM 0 H LYS B 6 -15.507 1.047 3.162 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.721 2.191 1.168 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.708 3.262 0.960 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -16.250 2.769 2.552 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -16.210 5.114 2.662 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -14.741 4.632 3.487 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -13.370 5.481 1.851 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -14.458 5.036 0.551 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -15.294 7.125 0.474 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -15.761 7.039 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -14.240 8.865 1.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -13.516 7.719 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -13.064 7.803 1.154 1.00 0.00 H new ATOM 581 N LYS B 7 -13.284 2.664 4.368 1.00 0.00 N ATOM 582 CA LYS B 7 -12.352 3.188 5.358 1.00 0.00 C ATOM 583 C LYS B 7 -11.183 2.230 5.581 1.00 0.00 C ATOM 584 O LYS B 7 -10.138 2.625 6.094 1.00 0.00 O ATOM 585 CB LYS B 7 -13.074 3.446 6.681 1.00 0.00 C ATOM 586 CG LYS B 7 -13.624 2.186 7.331 1.00 0.00 C ATOM 587 CD LYS B 7 -14.959 2.447 8.011 1.00 0.00 C ATOM 588 CE LYS B 7 -14.804 3.387 9.195 1.00 0.00 C ATOM 589 NZ LYS B 7 -15.939 3.268 10.152 1.00 0.00 N ATOM 0 H LYS B 7 -14.038 2.097 4.757 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.954 4.128 4.977 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.385 3.930 7.373 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -13.894 4.143 6.508 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.745 1.409 6.576 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -12.909 1.811 8.063 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.657 2.877 7.293 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.388 1.503 8.348 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -13.869 3.169 9.712 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.738 4.414 8.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.795 3.925 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.829 3.501 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.987 2.294 10.514 1.00 0.00 H new ATOM 603 N ARG B 8 -11.365 0.970 5.197 1.00 0.00 N ATOM 604 CA ARG B 8 -10.320 -0.034 5.364 1.00 0.00 C ATOM 605 C ARG B 8 -9.205 0.155 4.333 1.00 0.00 C ATOM 606 O ARG B 8 -8.059 -0.228 4.569 1.00 0.00 O ATOM 607 CB ARG B 8 -10.914 -1.445 5.262 1.00 0.00 C ATOM 608 CG ARG B 8 -11.086 -1.951 3.835 1.00 0.00 C ATOM 609 CD ARG B 8 -10.063 -3.025 3.495 1.00 0.00 C ATOM 610 NE ARG B 8 -10.676 -4.346 3.371 1.00 0.00 N ATOM 611 CZ ARG B 8 -10.780 -5.220 4.372 1.00 0.00 C ATOM 612 NH1 ARG B 8 -10.318 -4.921 5.581 1.00 0.00 N ATOM 613 NH2 ARG B 8 -11.350 -6.399 4.163 1.00 0.00 N ATOM 0 H ARG B 8 -12.223 0.621 4.770 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.885 0.091 6.356 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.271 -2.137 5.806 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.885 -1.455 5.758 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.092 -2.353 3.709 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.986 -1.119 3.138 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.564 -2.768 2.561 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.296 -3.053 4.269 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.048 -4.616 2.460 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.879 -4.016 5.750 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.402 -5.597 6.341 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -11.708 -6.636 3.238 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.431 -7.069 4.928 1.00 0.00 H new ATOM 627 N VAL B 9 -9.550 0.743 3.191 1.00 0.00 N ATOM 628 CA VAL B 9 -8.578 0.975 2.128 1.00 0.00 C ATOM 629 C VAL B 9 -7.476 1.926 2.585 1.00 0.00 C ATOM 630 O VAL B 9 -6.294 1.678 2.349 1.00 0.00 O ATOM 631 CB VAL B 9 -9.251 1.548 0.864 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.234 1.742 -0.252 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.383 0.640 0.409 1.00 0.00 C ATOM 0 H VAL B 9 -10.494 1.067 2.979 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.138 0.008 1.887 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.669 2.524 1.111 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.733 2.147 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.460 2.435 0.078 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.780 0.783 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.848 1.058 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -9.987 -0.350 0.182 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.127 0.560 1.202 1.00 0.00 H new ATOM 643 N GLN B 10 -7.868 3.020 3.232 1.00 0.00 N ATOM 644 CA GLN B 10 -6.907 4.007 3.712 1.00 0.00 C ATOM 645 C GLN B 10 -5.815 3.349 4.554 1.00 0.00 C ATOM 646 O GLN B 10 -4.705 3.867 4.658 1.00 0.00 O ATOM 647 CB GLN B 10 -7.618 5.095 4.525 1.00 0.00 C ATOM 648 CG GLN B 10 -8.058 4.641 5.910 1.00 0.00 C ATOM 649 CD GLN B 10 -9.387 5.242 6.324 1.00 0.00 C ATOM 650 OE1 GLN B 10 -9.951 6.077 5.619 1.00 0.00 O ATOM 651 NE2 GLN B 10 -9.894 4.816 7.475 1.00 0.00 N ATOM 0 H GLN B 10 -8.842 3.245 3.435 1.00 0.00 H new ATOM 0 HA GLN B 10 -6.436 4.466 2.843 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.952 5.951 4.629 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.492 5.437 3.970 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.134 3.554 5.925 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.296 4.917 6.638 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -9.391 4.122 8.028 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -10.786 5.183 7.806 1.00 0.00 H new ATOM 660 N ALA B 11 -6.139 2.207 5.151 1.00 0.00 N ATOM 661 CA ALA B 11 -5.185 1.481 5.984 1.00 0.00 C ATOM 662 C ALA B 11 -4.146 0.743 5.141 1.00 0.00 C ATOM 663 O ALA B 11 -3.141 0.266 5.667 1.00 0.00 O ATOM 664 CB ALA B 11 -5.920 0.504 6.890 1.00 0.00 C ATOM 0 H ALA B 11 -7.054 1.764 5.074 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.655 2.210 6.596 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.199 -0.032 7.507 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.611 1.052 7.531 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.477 -0.208 6.281 1.00 0.00 H new ATOM 670 N LEU B 12 -4.390 0.645 3.835 1.00 0.00 N ATOM 671 CA LEU B 12 -3.465 -0.043 2.940 1.00 0.00 C ATOM 672 C LEU B 12 -2.557 0.949 2.219 1.00 0.00 C ATOM 673 O LEU B 12 -1.338 0.779 2.183 1.00 0.00 O ATOM 674 CB LEU B 12 -4.228 -0.881 1.907 1.00 0.00 C ATOM 675 CG LEU B 12 -5.584 -1.424 2.365 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.485 -1.684 1.168 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.403 -2.696 3.179 1.00 0.00 C ATOM 0 H LEU B 12 -5.215 1.031 3.377 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.850 -0.703 3.552 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.383 -0.273 1.016 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.600 -1.723 1.614 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.058 -0.674 2.998 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.445 -2.070 1.512 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.642 -0.754 0.622 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.015 -2.415 0.511 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.378 -3.067 3.496 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.908 -3.451 2.569 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.793 -2.482 4.057 1.00 0.00 H new ATOM 689 N LYS B 13 -3.162 1.980 1.635 1.00 0.00 N ATOM 690 CA LYS B 13 -2.411 2.994 0.902 1.00 0.00 C ATOM 691 C LYS B 13 -1.714 3.972 1.847 1.00 0.00 C ATOM 692 O LYS B 13 -0.771 4.658 1.452 1.00 0.00 O ATOM 693 CB LYS B 13 -3.330 3.755 -0.061 1.00 0.00 C ATOM 694 CG LYS B 13 -4.622 4.250 0.571 1.00 0.00 C ATOM 695 CD LYS B 13 -4.355 5.307 1.629 1.00 0.00 C ATOM 696 CE LYS B 13 -5.432 6.381 1.633 1.00 0.00 C ATOM 697 NZ LYS B 13 -4.877 7.724 1.305 1.00 0.00 N ATOM 0 H LYS B 13 -4.170 2.135 1.655 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.642 2.478 0.326 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.786 4.609 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.575 3.105 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.271 4.663 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -5.154 3.411 1.020 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.307 4.836 2.611 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.383 5.766 1.448 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.206 6.122 0.911 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.908 6.414 2.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.642 8.428 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.156 7.983 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.445 7.700 0.359 1.00 0.00 H new ATOM 711 N ALA B 14 -2.179 4.035 3.091 1.00 0.00 N ATOM 712 CA ALA B 14 -1.591 4.935 4.079 1.00 0.00 C ATOM 713 C ALA B 14 -0.093 4.689 4.226 1.00 0.00 C ATOM 714 O ALA B 14 0.716 5.599 4.052 1.00 0.00 O ATOM 715 CB ALA B 14 -2.284 4.774 5.423 1.00 0.00 C ATOM 0 H ALA B 14 -2.958 3.476 3.439 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.734 5.957 3.728 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.834 5.452 6.148 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.343 5.008 5.317 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.172 3.746 5.769 1.00 0.00 H new ATOM 721 N ARG B 15 0.267 3.452 4.549 1.00 0.00 N ATOM 722 CA ARG B 15 1.667 3.085 4.721 1.00 0.00 C ATOM 723 C ARG B 15 2.327 2.798 3.377 1.00 0.00 C ATOM 724 O ARG B 15 3.467 3.193 3.138 1.00 0.00 O ATOM 725 CB ARG B 15 1.785 1.859 5.630 1.00 0.00 C ATOM 726 CG ARG B 15 3.203 1.591 6.109 1.00 0.00 C ATOM 727 CD ARG B 15 3.802 2.812 6.790 1.00 0.00 C ATOM 728 NE ARG B 15 2.874 3.417 7.743 1.00 0.00 N ATOM 729 CZ ARG B 15 2.979 4.667 8.190 1.00 0.00 C ATOM 730 NH1 ARG B 15 3.968 5.448 7.773 1.00 0.00 N ATOM 731 NH2 ARG B 15 2.091 5.137 9.055 1.00 0.00 N ATOM 0 H ARG B 15 -0.391 2.687 4.697 1.00 0.00 H new ATOM 0 HA ARG B 15 2.181 3.927 5.184 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.137 1.996 6.496 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.420 0.983 5.094 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.201 0.751 6.803 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.826 1.303 5.262 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.718 2.526 7.307 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.079 3.549 6.036 1.00 0.00 H new ATOM 0 HE ARG B 15 2.100 2.848 8.086 1.00 0.00 H new ATOM 0 HH11 ARG B 15 4.653 5.092 7.106 1.00 0.00 H new ATOM 0 HH12 ARG B 15 4.043 6.405 8.119 1.00 0.00 H new ATOM 0 HH21 ARG B 15 1.328 4.541 9.377 1.00 0.00 H new ATOM 0 HH22 ARG B 15 2.170 6.094 9.398 1.00 0.00 H new ATOM 745 N ASN B 16 1.602 2.105 2.504 1.00 0.00 N ATOM 746 CA ASN B 16 2.116 1.759 1.183 1.00 0.00 C ATOM 747 C ASN B 16 2.596 3.001 0.435 1.00 0.00 C ATOM 748 O ASN B 16 3.651 2.984 -0.200 1.00 0.00 O ATOM 749 CB ASN B 16 1.036 1.039 0.371 1.00 0.00 C ATOM 750 CG ASN B 16 1.467 0.755 -1.056 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.631 0.937 -1.412 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.528 0.307 -1.881 1.00 0.00 N ATOM 0 H ASN B 16 0.656 1.772 2.688 1.00 0.00 H new ATOM 0 HA ASN B 16 2.969 1.093 1.315 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.783 0.100 0.863 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.131 1.647 0.359 1.00 0.00 H new ATOM 0 HD21 ASN B 16 0.759 0.099 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.425 0.171 -1.543 1.00 0.00 H new ATOM 759 N TYR B 17 1.818 4.076 0.512 1.00 0.00 N ATOM 760 CA TYR B 17 2.169 5.322 -0.163 1.00 0.00 C ATOM 761 C TYR B 17 3.575 5.774 0.223 1.00 0.00 C ATOM 762 O TYR B 17 4.311 6.314 -0.604 1.00 0.00 O ATOM 763 CB TYR B 17 1.155 6.416 0.177 1.00 0.00 C ATOM 764 CG TYR B 17 1.491 7.761 -0.431 1.00 0.00 C ATOM 765 CD1 TYR B 17 2.303 8.664 0.240 1.00 0.00 C ATOM 766 CD2 TYR B 17 0.996 8.122 -1.679 1.00 0.00 C ATOM 767 CE1 TYR B 17 2.614 9.892 -0.313 1.00 0.00 C ATOM 768 CE2 TYR B 17 1.303 9.348 -2.238 1.00 0.00 C ATOM 769 CZ TYR B 17 2.112 10.229 -1.552 1.00 0.00 C ATOM 770 OH TYR B 17 2.419 11.450 -2.106 1.00 0.00 O ATOM 0 H TYR B 17 0.942 4.110 1.034 1.00 0.00 H new ATOM 0 HA TYR B 17 2.149 5.141 -1.238 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.169 6.106 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.095 6.521 1.260 1.00 0.00 H new ATOM 0 HD1 TYR B 17 2.699 8.403 1.210 1.00 0.00 H new ATOM 0 HD2 TYR B 17 0.362 7.434 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR B 17 3.247 10.584 0.223 1.00 0.00 H new ATOM 0 HE2 TYR B 17 0.911 9.615 -3.208 1.00 0.00 H new ATOM 0 HH TYR B 17 1.987 11.530 -2.982 1.00 0.00 H new ATOM 780 N ALA B 18 3.940 5.551 1.480 1.00 0.00 N ATOM 781 CA ALA B 18 5.258 5.937 1.969 1.00 0.00 C ATOM 782 C ALA B 18 6.335 5.008 1.427 1.00 0.00 C ATOM 783 O ALA B 18 7.371 5.464 0.942 1.00 0.00 O ATOM 784 CB ALA B 18 5.278 5.946 3.490 1.00 0.00 C ATOM 0 H ALA B 18 3.344 5.106 2.178 1.00 0.00 H new ATOM 0 HA ALA B 18 5.471 6.945 1.612 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.269 6.236 3.839 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.540 6.658 3.859 1.00 0.00 H new ATOM 0 HB3 ALA B 18 5.039 4.950 3.863 1.00 0.00 H new ATOM 790 N LEU B 19 6.086 3.705 1.500 1.00 0.00 N ATOM 791 CA LEU B 19 7.045 2.727 1.002 1.00 0.00 C ATOM 792 C LEU B 19 7.182 2.852 -0.509 1.00 0.00 C ATOM 793 O LEU B 19 8.277 3.042 -1.024 1.00 0.00 O ATOM 794 CB LEU B 19 6.631 1.299 1.370 1.00 0.00 C ATOM 795 CG LEU B 19 5.834 1.157 2.670 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.676 -0.310 3.040 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.511 1.922 3.799 1.00 0.00 C ATOM 0 H LEU B 19 5.236 3.304 1.896 1.00 0.00 H new ATOM 0 HA LEU B 19 8.006 2.932 1.473 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.036 0.890 0.553 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.530 0.687 1.447 1.00 0.00 H new ATOM 0 HG LEU B 19 4.843 1.582 2.514 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.107 -0.392 3.966 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.148 -0.832 2.242 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.660 -0.759 3.177 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.930 1.809 4.714 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.515 1.527 3.955 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.573 2.978 3.537 1.00 0.00 H new ATOM 809 N LYS B 20 6.057 2.756 -1.212 1.00 0.00 N ATOM 810 CA LYS B 20 6.044 2.865 -2.672 1.00 0.00 C ATOM 811 C LYS B 20 6.942 4.002 -3.154 1.00 0.00 C ATOM 812 O LYS B 20 7.496 3.947 -4.252 1.00 0.00 O ATOM 813 CB LYS B 20 4.615 3.094 -3.167 1.00 0.00 C ATOM 814 CG LYS B 20 4.288 2.344 -4.447 1.00 0.00 C ATOM 815 CD LYS B 20 3.144 3.001 -5.201 1.00 0.00 C ATOM 816 CE LYS B 20 2.262 1.968 -5.882 1.00 0.00 C ATOM 817 NZ LYS B 20 1.644 2.501 -7.127 1.00 0.00 N ATOM 0 H LYS B 20 5.139 2.603 -0.795 1.00 0.00 H new ATOM 0 HA LYS B 20 6.429 1.930 -3.080 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.916 2.789 -2.388 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.463 4.161 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS B 20 5.172 2.307 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS B 20 4.024 1.314 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.545 3.595 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.545 3.688 -5.947 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.855 1.085 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.478 1.650 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.050 1.766 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.058 3.329 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.392 2.781 -7.793 1.00 0.00 H new ATOM 831 N GLN B 21 7.075 5.034 -2.327 1.00 0.00 N ATOM 832 CA GLN B 21 7.896 6.188 -2.669 1.00 0.00 C ATOM 833 C GLN B 21 9.377 5.928 -2.387 1.00 0.00 C ATOM 834 O GLN B 21 10.242 6.305 -3.179 1.00 0.00 O ATOM 835 CB GLN B 21 7.419 7.417 -1.890 1.00 0.00 C ATOM 836 CG GLN B 21 8.286 8.648 -2.097 1.00 0.00 C ATOM 837 CD GLN B 21 9.251 8.878 -0.950 1.00 0.00 C ATOM 838 OE1 GLN B 21 9.130 8.265 0.111 1.00 0.00 O ATOM 839 NE2 GLN B 21 10.218 9.765 -1.158 1.00 0.00 N ATOM 0 H GLN B 21 6.624 5.094 -1.414 1.00 0.00 H new ATOM 0 HA GLN B 21 7.789 6.372 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.397 7.650 -2.187 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.395 7.175 -0.827 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.848 8.541 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN B 21 7.647 9.524 -2.211 1.00 0.00 H new ATOM 0 HE21 GLN B 21 10.281 10.250 -2.053 1.00 0.00 H new ATOM 0 HE22 GLN B 21 10.897 9.961 -0.423 1.00 0.00 H new ATOM 848 N LYS B 22 9.667 5.298 -1.251 1.00 0.00 N ATOM 849 CA LYS B 22 11.049 5.010 -0.867 1.00 0.00 C ATOM 850 C LYS B 22 11.519 3.649 -1.382 1.00 0.00 C ATOM 851 O LYS B 22 12.720 3.394 -1.462 1.00 0.00 O ATOM 852 CB LYS B 22 11.192 5.061 0.655 1.00 0.00 C ATOM 853 CG LYS B 22 10.278 4.088 1.385 1.00 0.00 C ATOM 854 CD LYS B 22 11.064 3.150 2.288 1.00 0.00 C ATOM 855 CE LYS B 22 11.835 3.915 3.353 1.00 0.00 C ATOM 856 NZ LYS B 22 11.198 3.796 4.693 1.00 0.00 N ATOM 0 H LYS B 22 8.967 4.978 -0.582 1.00 0.00 H new ATOM 0 HA LYS B 22 11.678 5.773 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.226 4.845 0.922 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.979 6.074 0.998 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.554 4.645 1.980 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.712 3.505 0.658 1.00 0.00 H new ATOM 0 HD2 LYS B 22 10.382 2.447 2.766 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.758 2.562 1.687 1.00 0.00 H new ATOM 0 HE2 LYS B 22 12.857 3.539 3.402 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.896 4.966 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 11.754 4.331 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 10.232 4.178 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 11.163 2.795 4.973 1.00 0.00 H new ATOM 870 N VAL B 23 10.573 2.776 -1.724 1.00 0.00 N ATOM 871 CA VAL B 23 10.898 1.440 -2.219 1.00 0.00 C ATOM 872 C VAL B 23 12.011 1.491 -3.264 1.00 0.00 C ATOM 873 O VAL B 23 13.078 0.904 -3.077 1.00 0.00 O ATOM 874 CB VAL B 23 9.658 0.743 -2.823 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.047 -0.551 -3.528 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.621 0.470 -1.742 1.00 0.00 C ATOM 0 H VAL B 23 9.573 2.971 -1.667 1.00 0.00 H new ATOM 0 HA VAL B 23 11.243 0.862 -1.362 1.00 0.00 H new ATOM 0 HB VAL B 23 9.221 1.413 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.156 -1.021 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.749 -0.330 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.514 -1.228 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL B 23 7.754 -0.021 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.053 -0.176 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.312 1.412 -1.288 1.00 0.00 H new ATOM 886 N GLN B 24 11.758 2.197 -4.361 1.00 0.00 N ATOM 887 CA GLN B 24 12.745 2.320 -5.428 1.00 0.00 C ATOM 888 C GLN B 24 13.993 3.038 -4.926 1.00 0.00 C ATOM 889 O GLN B 24 15.108 2.732 -5.347 1.00 0.00 O ATOM 890 CB GLN B 24 12.157 3.072 -6.623 1.00 0.00 C ATOM 891 CG GLN B 24 10.716 2.699 -6.933 1.00 0.00 C ATOM 892 CD GLN B 24 10.364 2.902 -8.394 1.00 0.00 C ATOM 893 OE1 GLN B 24 11.111 3.532 -9.143 1.00 0.00 O ATOM 894 NE2 GLN B 24 9.219 2.370 -8.807 1.00 0.00 N ATOM 0 H GLN B 24 10.882 2.691 -4.534 1.00 0.00 H new ATOM 0 HA GLN B 24 13.022 1.316 -5.748 1.00 0.00 H new ATOM 0 HB2 GLN B 24 12.212 4.143 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN B 24 12.771 2.875 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN B 24 10.548 1.656 -6.664 1.00 0.00 H new ATOM 0 HG3 GLN B 24 10.048 3.299 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.630 1.855 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN B 24 8.929 2.476 -9.779 1.00 0.00 H new ATOM 903 N ALA B 25 13.795 3.993 -4.022 1.00 0.00 N ATOM 904 CA ALA B 25 14.904 4.755 -3.461 1.00 0.00 C ATOM 905 C ALA B 25 15.873 3.845 -2.712 1.00 0.00 C ATOM 906 O ALA B 25 17.090 3.995 -2.822 1.00 0.00 O ATOM 907 CB ALA B 25 14.379 5.844 -2.537 1.00 0.00 C ATOM 0 H ALA B 25 12.877 4.257 -3.663 1.00 0.00 H new ATOM 0 HA ALA B 25 15.447 5.220 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.217 6.406 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.732 6.517 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.812 5.390 -1.725 1.00 0.00 H new ATOM 913 N LEU B 26 15.326 2.901 -1.952 1.00 0.00 N ATOM 914 CA LEU B 26 16.146 1.968 -1.187 1.00 0.00 C ATOM 915 C LEU B 26 17.025 1.132 -2.112 1.00 0.00 C ATOM 916 O LEU B 26 18.253 1.205 -2.052 1.00 0.00 O ATOM 917 CB LEU B 26 15.263 1.049 -0.339 1.00 0.00 C ATOM 918 CG LEU B 26 14.413 1.755 0.721 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.731 0.737 1.621 1.00 0.00 C ATOM 920 CD2 LEU B 26 15.267 2.709 1.544 1.00 0.00 C ATOM 0 H LEU B 26 14.321 2.762 -1.850 1.00 0.00 H new ATOM 0 HA LEU B 26 16.790 2.550 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.600 0.495 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.900 0.317 0.158 1.00 0.00 H new ATOM 0 HG LEU B 26 13.643 2.336 0.213 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.131 1.256 2.368 1.00 0.00 H new ATOM 0 HD12 LEU B 26 13.087 0.095 1.021 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.486 0.129 2.120 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.645 3.201 2.292 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.060 2.150 2.042 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.709 3.460 0.889 1.00 0.00 H new ATOM 932 N ARG B 27 16.388 0.336 -2.967 1.00 0.00 N ATOM 933 CA ARG B 27 17.110 -0.519 -3.905 1.00 0.00 C ATOM 934 C ARG B 27 18.150 0.273 -4.696 1.00 0.00 C ATOM 935 O ARG B 27 19.147 -0.283 -5.154 1.00 0.00 O ATOM 936 CB ARG B 27 16.136 -1.204 -4.868 1.00 0.00 C ATOM 937 CG ARG B 27 15.063 -0.283 -5.427 1.00 0.00 C ATOM 938 CD ARG B 27 13.719 -0.991 -5.526 1.00 0.00 C ATOM 939 NE ARG B 27 13.067 -0.749 -6.810 1.00 0.00 N ATOM 940 CZ ARG B 27 12.091 -1.509 -7.303 1.00 0.00 C ATOM 941 NH1 ARG B 27 11.652 -2.560 -6.622 1.00 0.00 N ATOM 942 NH2 ARG B 27 11.554 -1.218 -8.479 1.00 0.00 N ATOM 0 H ARG B 27 15.372 0.265 -3.030 1.00 0.00 H new ATOM 0 HA ARG B 27 17.630 -1.279 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG B 27 16.701 -1.630 -5.697 1.00 0.00 H new ATOM 0 HB3 ARG B 27 15.654 -2.034 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG B 27 14.967 0.595 -4.789 1.00 0.00 H new ATOM 0 HG3 ARG B 27 15.363 0.071 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG B 27 13.863 -2.063 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG B 27 13.069 -0.651 -4.720 1.00 0.00 H new ATOM 0 HE ARG B 27 13.378 0.050 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG B 27 12.062 -2.789 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG B 27 10.904 -3.139 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG B 27 11.888 -0.412 -9.007 1.00 0.00 H new ATOM 0 HH22 ARG B 27 10.806 -1.800 -8.856 1.00 0.00 H new