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: B 13 LYS NZ :NH3+ 165:sc= -2.07! (180deg=-1.89!) USER MOD Set 1.2: B 16 ASN : amide:sc= -9.49! C(o=-12!,f=-16!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.8) USER MOD Single : A 16 ASN : amide:sc= -5.7! K(o=-5.7!,f=-5.1) 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= -0.241 K(o=-0.24,f=-1.8!) USER MOD Single : A 25 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.5!) USER MOD Single : B 3 GLN : amide:sc= -0.0578 K(o=-0.058,f=-0.95) 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= -0.196 K(o=-0.2,f=-2.1!) 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 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -13.216 1.618 -4.197 1.00 0.00 N ATOM 66 CA LEU A 5 -13.033 1.266 -2.795 1.00 0.00 C ATOM 67 C LEU A 5 -13.155 -0.242 -2.599 1.00 0.00 C ATOM 68 O LEU A 5 -12.372 -0.848 -1.868 1.00 0.00 O ATOM 69 CB LEU A 5 -14.059 1.993 -1.923 1.00 0.00 C ATOM 70 CG LEU A 5 -14.038 3.517 -2.038 1.00 0.00 C ATOM 71 CD1 LEU A 5 -15.212 4.126 -1.285 1.00 0.00 C ATOM 72 CD2 LEU A 5 -12.722 4.074 -1.517 1.00 0.00 C ATOM 0 HA LEU A 5 -12.033 1.576 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.055 1.637 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.888 1.720 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.130 3.783 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.180 5.212 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.146 3.753 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.151 3.850 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.726 5.160 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.599 3.797 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.897 3.664 -2.100 1.00 0.00 H new ATOM 84 N GLU A 6 -14.138 -0.843 -3.264 1.00 0.00 N ATOM 85 CA GLU A 6 -14.355 -2.282 -3.169 1.00 0.00 C ATOM 86 C GLU A 6 -13.129 -3.039 -3.667 1.00 0.00 C ATOM 87 O GLU A 6 -12.346 -3.563 -2.874 1.00 0.00 O ATOM 88 CB GLU A 6 -15.589 -2.687 -3.977 1.00 0.00 C ATOM 89 CG GLU A 6 -16.883 -2.091 -3.448 1.00 0.00 C ATOM 90 CD GLU A 6 -18.112 -2.826 -3.947 1.00 0.00 C ATOM 91 OE1 GLU A 6 -18.426 -2.709 -5.150 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.761 -3.518 -3.134 1.00 0.00 O ATOM 0 H GLU A 6 -14.795 -0.356 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.521 -2.538 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.453 -2.377 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.672 -3.774 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.869 -2.112 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.945 -1.044 -3.746 1.00 0.00 H new ATOM 99 N LYS A 7 -12.959 -3.078 -4.983 1.00 0.00 N ATOM 100 CA LYS A 7 -11.816 -3.755 -5.584 1.00 0.00 C ATOM 101 C LYS A 7 -10.512 -3.116 -5.124 1.00 0.00 C ATOM 102 O LYS A 7 -9.448 -3.730 -5.202 1.00 0.00 O ATOM 103 CB LYS A 7 -11.912 -3.718 -7.112 1.00 0.00 C ATOM 104 CG LYS A 7 -12.363 -2.374 -7.665 1.00 0.00 C ATOM 105 CD LYS A 7 -12.151 -2.284 -9.168 1.00 0.00 C ATOM 106 CE LYS A 7 -11.531 -0.954 -9.567 1.00 0.00 C ATOM 107 NZ LYS A 7 -10.063 -1.069 -9.790 1.00 0.00 N ATOM 0 H LYS A 7 -13.597 -2.650 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.827 -4.795 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.938 -3.966 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.608 -4.489 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.418 -2.222 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.812 -1.574 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.506 -3.099 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.106 -2.409 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.009 -0.589 -10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.723 -0.216 -8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.679 -0.141 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.603 -1.392 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.880 -1.754 -10.551 1.00 0.00 H new ATOM 121 N GLU A 8 -10.602 -1.884 -4.636 1.00 0.00 N ATOM 122 CA GLU A 8 -9.430 -1.174 -4.153 1.00 0.00 C ATOM 123 C GLU A 8 -8.828 -1.886 -2.950 1.00 0.00 C ATOM 124 O GLU A 8 -7.630 -1.793 -2.705 1.00 0.00 O ATOM 125 CB GLU A 8 -9.790 0.262 -3.782 1.00 0.00 C ATOM 126 CG GLU A 8 -8.579 1.157 -3.576 1.00 0.00 C ATOM 127 CD GLU A 8 -8.478 2.251 -4.620 1.00 0.00 C ATOM 128 OE1 GLU A 8 -8.045 1.954 -5.754 1.00 0.00 O ATOM 129 OE2 GLU A 8 -8.831 3.408 -4.305 1.00 0.00 O ATOM 0 H GLU A 8 -11.474 -1.359 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.691 -1.156 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.416 0.686 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.386 0.255 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.630 1.609 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.674 0.550 -3.603 1.00 0.00 H new ATOM 136 N VAL A 9 -9.665 -2.603 -2.201 1.00 0.00 N ATOM 137 CA VAL A 9 -9.197 -3.330 -1.026 1.00 0.00 C ATOM 138 C VAL A 9 -8.329 -4.513 -1.444 1.00 0.00 C ATOM 139 O VAL A 9 -7.183 -4.636 -1.011 1.00 0.00 O ATOM 140 CB VAL A 9 -10.381 -3.804 -0.142 1.00 0.00 C ATOM 141 CG1 VAL A 9 -10.260 -5.278 0.234 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.478 -2.944 1.109 1.00 0.00 C ATOM 0 H VAL A 9 -10.664 -2.695 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.593 -2.647 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.294 -3.692 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.110 -5.567 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.248 -5.885 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.336 -5.437 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.312 -3.286 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.552 -3.025 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.639 -1.904 0.824 1.00 0.00 H new ATOM 152 N ALA A 10 -8.873 -5.373 -2.301 1.00 0.00 N ATOM 153 CA ALA A 10 -8.131 -6.531 -2.785 1.00 0.00 C ATOM 154 C ALA A 10 -6.825 -6.084 -3.432 1.00 0.00 C ATOM 155 O ALA A 10 -5.839 -6.821 -3.447 1.00 0.00 O ATOM 156 CB ALA A 10 -8.971 -7.326 -3.772 1.00 0.00 C ATOM 0 H ALA A 10 -9.819 -5.290 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.897 -7.176 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.402 -8.187 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.882 -7.669 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.232 -6.693 -4.620 1.00 0.00 H new ATOM 162 N GLN A 11 -6.830 -4.859 -3.951 1.00 0.00 N ATOM 163 CA GLN A 11 -5.654 -4.286 -4.586 1.00 0.00 C ATOM 164 C GLN A 11 -4.529 -4.127 -3.563 1.00 0.00 C ATOM 165 O GLN A 11 -3.561 -4.884 -3.572 1.00 0.00 O ATOM 166 CB GLN A 11 -6.020 -2.936 -5.217 1.00 0.00 C ATOM 167 CG GLN A 11 -4.832 -2.143 -5.738 1.00 0.00 C ATOM 168 CD GLN A 11 -4.629 -2.317 -7.231 1.00 0.00 C ATOM 169 OE1 GLN A 11 -4.777 -3.417 -7.764 1.00 0.00 O ATOM 170 NE2 GLN A 11 -4.289 -1.230 -7.913 1.00 0.00 N ATOM 0 H GLN A 11 -7.643 -4.243 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.301 -4.954 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.714 -3.109 -6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.547 -2.334 -4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.978 -1.086 -5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.930 -2.458 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.177 -0.339 -7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.139 -1.286 -8.920 1.00 0.00 H new ATOM 179 N LEU A 12 -4.676 -3.142 -2.674 1.00 0.00 N ATOM 180 CA LEU A 12 -3.691 -2.872 -1.621 1.00 0.00 C ATOM 181 C LEU A 12 -3.041 -4.161 -1.119 1.00 0.00 C ATOM 182 O LEU A 12 -1.863 -4.404 -1.349 1.00 0.00 O ATOM 183 CB LEU A 12 -4.370 -2.186 -0.445 1.00 0.00 C ATOM 184 CG LEU A 12 -5.589 -1.349 -0.805 1.00 0.00 C ATOM 185 CD1 LEU A 12 -6.144 -0.678 0.425 1.00 0.00 C ATOM 186 CD2 LEU A 12 -5.243 -0.332 -1.884 1.00 0.00 C ATOM 0 H LEU A 12 -5.477 -2.511 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.920 -2.230 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.670 -2.946 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.642 -1.545 0.052 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.360 -2.007 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.016 -0.083 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.435 -1.436 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.383 -0.030 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.128 0.256 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.456 0.329 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.897 -0.852 -2.777 1.00 0.00 H new ATOM 198 N GLU A 13 -3.834 -4.981 -0.423 1.00 0.00 N ATOM 199 CA GLU A 13 -3.357 -6.248 0.134 1.00 0.00 C ATOM 200 C GLU A 13 -2.408 -6.964 -0.821 1.00 0.00 C ATOM 201 O GLU A 13 -1.448 -7.605 -0.392 1.00 0.00 O ATOM 202 CB GLU A 13 -4.541 -7.156 0.470 1.00 0.00 C ATOM 203 CG GLU A 13 -5.487 -6.563 1.503 1.00 0.00 C ATOM 204 CD GLU A 13 -6.655 -7.477 1.815 1.00 0.00 C ATOM 205 OE1 GLU A 13 -6.413 -8.624 2.244 1.00 0.00 O ATOM 206 OE2 GLU A 13 -7.813 -7.044 1.633 1.00 0.00 O ATOM 0 H GLU A 13 -4.817 -4.787 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.804 -6.019 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.098 -7.366 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.164 -8.110 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.935 -6.358 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.865 -5.608 1.138 1.00 0.00 H new ATOM 213 N ALA A 14 -2.674 -6.846 -2.116 1.00 0.00 N ATOM 214 CA ALA A 14 -1.831 -7.478 -3.119 1.00 0.00 C ATOM 215 C ALA A 14 -0.471 -6.791 -3.182 1.00 0.00 C ATOM 216 O ALA A 14 0.567 -7.436 -3.029 1.00 0.00 O ATOM 217 CB ALA A 14 -2.510 -7.454 -4.481 1.00 0.00 C ATOM 0 H ALA A 14 -3.463 -6.321 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.676 -8.519 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.864 -7.931 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.456 -7.992 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.697 -6.422 -4.776 1.00 0.00 H new ATOM 223 N GLU A 15 -0.481 -5.481 -3.408 1.00 0.00 N ATOM 224 CA GLU A 15 0.729 -4.711 -3.492 1.00 0.00 C ATOM 225 C GLU A 15 1.289 -4.397 -2.107 1.00 0.00 C ATOM 226 O GLU A 15 2.471 -4.626 -1.850 1.00 0.00 O ATOM 227 CB GLU A 15 0.463 -3.427 -4.268 1.00 0.00 C ATOM 228 CG GLU A 15 -0.986 -2.970 -4.300 1.00 0.00 C ATOM 229 CD GLU A 15 -1.746 -3.563 -5.469 1.00 0.00 C ATOM 230 OE1 GLU A 15 -1.996 -4.785 -5.458 1.00 0.00 O ATOM 231 OE2 GLU A 15 -2.089 -2.804 -6.399 1.00 0.00 O ATOM 0 H GLU A 15 -1.333 -4.935 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 15 1.479 -5.302 -4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.068 -2.630 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.805 -3.566 -5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.476 -3.254 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.021 -1.882 -4.360 1.00 0.00 H new ATOM 238 N ASN A 16 0.446 -3.877 -1.209 1.00 0.00 N ATOM 239 CA ASN A 16 0.888 -3.553 0.142 1.00 0.00 C ATOM 240 C ASN A 16 1.702 -4.697 0.744 1.00 0.00 C ATOM 241 O ASN A 16 2.581 -4.475 1.575 1.00 0.00 O ATOM 242 CB ASN A 16 -0.318 -3.243 1.029 1.00 0.00 C ATOM 243 CG ASN A 16 0.087 -2.659 2.364 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.171 -2.094 2.506 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.785 -2.791 3.354 1.00 0.00 N ATOM 0 H ASN A 16 -0.536 -3.675 -1.395 1.00 0.00 H new ATOM 0 HA ASN A 16 1.529 -2.673 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.975 -2.543 0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.890 -4.156 1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.568 -2.417 4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.672 -3.267 3.192 1.00 0.00 H new ATOM 252 N TYR A 17 1.407 -5.920 0.313 1.00 0.00 N ATOM 253 CA TYR A 17 2.118 -7.095 0.804 1.00 0.00 C ATOM 254 C TYR A 17 3.338 -7.397 -0.066 1.00 0.00 C ATOM 255 O TYR A 17 4.327 -7.955 0.409 1.00 0.00 O ATOM 256 CB TYR A 17 1.182 -8.308 0.836 1.00 0.00 C ATOM 257 CG TYR A 17 1.890 -9.616 1.118 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.455 -10.355 0.086 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.997 -10.106 2.413 1.00 0.00 C ATOM 260 CE1 TYR A 17 3.105 -11.547 0.337 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.646 -11.299 2.672 1.00 0.00 C ATOM 262 CZ TYR A 17 3.199 -12.015 1.630 1.00 0.00 C ATOM 263 OH TYR A 17 3.847 -13.201 1.884 1.00 0.00 O ATOM 0 H TYR A 17 0.681 -6.123 -0.374 1.00 0.00 H new ATOM 0 HA TYR A 17 2.462 -6.885 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.419 -8.147 1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.666 -8.383 -0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.385 -9.991 -0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.567 -9.547 3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.538 -12.110 -0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.720 -11.668 3.684 1.00 0.00 H new ATOM 0 HH TYR A 17 3.825 -13.386 2.846 1.00 0.00 H new ATOM 273 N GLN A 18 3.257 -7.034 -1.342 1.00 0.00 N ATOM 274 CA GLN A 18 4.350 -7.274 -2.278 1.00 0.00 C ATOM 275 C GLN A 18 5.505 -6.303 -2.041 1.00 0.00 C ATOM 276 O GLN A 18 6.673 -6.689 -2.097 1.00 0.00 O ATOM 277 CB GLN A 18 3.848 -7.143 -3.718 1.00 0.00 C ATOM 278 CG GLN A 18 4.742 -7.825 -4.741 1.00 0.00 C ATOM 279 CD GLN A 18 3.988 -8.241 -5.989 1.00 0.00 C ATOM 280 OE1 GLN A 18 3.787 -9.429 -6.240 1.00 0.00 O ATOM 281 NE2 GLN A 18 3.567 -7.260 -6.780 1.00 0.00 N ATOM 0 H GLN A 18 2.445 -6.572 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 18 4.717 -8.287 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.846 -7.567 -3.784 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.764 -6.086 -3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.551 -7.150 -5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.201 -8.704 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.756 -6.289 -6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.055 -7.478 -7.635 1.00 0.00 H new ATOM 290 N LEU A 19 5.173 -5.043 -1.781 1.00 0.00 N ATOM 291 CA LEU A 19 6.180 -4.018 -1.542 1.00 0.00 C ATOM 292 C LEU A 19 6.750 -4.125 -0.133 1.00 0.00 C ATOM 293 O LEU A 19 7.964 -4.203 0.048 1.00 0.00 O ATOM 294 CB LEU A 19 5.579 -2.631 -1.752 1.00 0.00 C ATOM 295 CG LEU A 19 5.107 -2.340 -3.178 1.00 0.00 C ATOM 296 CD1 LEU A 19 4.274 -1.066 -3.217 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.296 -2.234 -4.120 1.00 0.00 C ATOM 0 H LEU A 19 4.211 -4.707 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 19 6.992 -4.172 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.734 -2.511 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.321 -1.884 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 19 4.479 -3.167 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.948 -0.876 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.402 -1.182 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.875 -0.227 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.943 -2.027 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.950 -1.426 -3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.849 -3.173 -4.115 1.00 0.00 H new ATOM 309 N GLU A 20 5.870 -4.131 0.864 1.00 0.00 N ATOM 310 CA GLU A 20 6.293 -4.227 2.258 1.00 0.00 C ATOM 311 C GLU A 20 7.304 -5.356 2.448 1.00 0.00 C ATOM 312 O GLU A 20 8.155 -5.298 3.336 1.00 0.00 O ATOM 313 CB GLU A 20 5.083 -4.451 3.165 1.00 0.00 C ATOM 314 CG GLU A 20 5.354 -4.145 4.628 1.00 0.00 C ATOM 315 CD GLU A 20 4.599 -2.926 5.120 1.00 0.00 C ATOM 316 OE1 GLU A 20 3.352 -2.928 5.042 1.00 0.00 O ATOM 317 OE2 GLU A 20 5.254 -1.968 5.584 1.00 0.00 O ATOM 0 H GLU A 20 4.860 -4.071 0.733 1.00 0.00 H new ATOM 0 HA GLU A 20 6.774 -3.287 2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.259 -3.827 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.758 -5.487 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.076 -5.008 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.423 -3.987 4.770 1.00 0.00 H new ATOM 324 N GLN A 21 7.206 -6.379 1.605 1.00 0.00 N ATOM 325 CA GLN A 21 8.113 -7.517 1.675 1.00 0.00 C ATOM 326 C GLN A 21 9.428 -7.206 0.966 1.00 0.00 C ATOM 327 O GLN A 21 10.483 -7.717 1.343 1.00 0.00 O ATOM 328 CB GLN A 21 7.461 -8.753 1.055 1.00 0.00 C ATOM 329 CG GLN A 21 7.565 -9.996 1.924 1.00 0.00 C ATOM 330 CD GLN A 21 8.619 -10.967 1.427 1.00 0.00 C ATOM 331 OE1 GLN A 21 8.913 -11.024 0.233 1.00 0.00 O ATOM 332 NE2 GLN A 21 9.192 -11.738 2.344 1.00 0.00 N ATOM 0 H GLN A 21 6.507 -6.442 0.865 1.00 0.00 H new ATOM 0 HA GLN A 21 8.327 -7.719 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.409 -8.541 0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.927 -8.954 0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.801 -9.701 2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.598 -10.498 1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.917 -11.657 3.323 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.907 -12.412 2.069 1.00 0.00 H new ATOM 341 N GLU A 22 9.359 -6.361 -0.058 1.00 0.00 N ATOM 342 CA GLU A 22 10.548 -5.979 -0.814 1.00 0.00 C ATOM 343 C GLU A 22 11.220 -4.762 -0.187 1.00 0.00 C ATOM 344 O GLU A 22 12.420 -4.545 -0.355 1.00 0.00 O ATOM 345 CB GLU A 22 10.182 -5.679 -2.269 1.00 0.00 C ATOM 346 CG GLU A 22 9.507 -6.841 -2.978 1.00 0.00 C ATOM 347 CD GLU A 22 10.499 -7.868 -3.487 1.00 0.00 C ATOM 348 OE1 GLU A 22 11.690 -7.522 -3.634 1.00 0.00 O ATOM 349 OE2 GLU A 22 10.085 -9.019 -3.740 1.00 0.00 O ATOM 0 H GLU A 22 8.495 -5.928 -0.383 1.00 0.00 H new ATOM 0 HA GLU A 22 11.247 -6.815 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.521 -4.813 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.086 -5.407 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.809 -7.323 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.922 -6.461 -3.815 1.00 0.00 H new ATOM 356 N VAL A 23 10.434 -3.972 0.538 1.00 0.00 N ATOM 357 CA VAL A 23 10.941 -2.776 1.195 1.00 0.00 C ATOM 358 C VAL A 23 11.664 -3.132 2.488 1.00 0.00 C ATOM 359 O VAL A 23 12.612 -2.457 2.889 1.00 0.00 O ATOM 360 CB VAL A 23 9.800 -1.788 1.512 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.361 -0.441 1.939 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.869 -1.634 0.315 1.00 0.00 C ATOM 0 H VAL A 23 9.439 -4.141 0.685 1.00 0.00 H new ATOM 0 HA VAL A 23 11.641 -2.303 0.507 1.00 0.00 H new ATOM 0 HB VAL A 23 9.219 -2.192 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.540 0.242 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.975 -0.569 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.971 -0.029 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.072 -0.933 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.433 -1.257 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.435 -2.602 0.064 1.00 0.00 H new ATOM 372 N ALA A 24 11.208 -4.199 3.137 1.00 0.00 N ATOM 373 CA ALA A 24 11.809 -4.652 4.386 1.00 0.00 C ATOM 374 C ALA A 24 13.280 -5.001 4.191 1.00 0.00 C ATOM 375 O ALA A 24 14.096 -4.818 5.094 1.00 0.00 O ATOM 376 CB ALA A 24 11.048 -5.852 4.931 1.00 0.00 C ATOM 0 H ALA A 24 10.423 -4.767 2.818 1.00 0.00 H new ATOM 0 HA ALA A 24 11.748 -3.837 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.507 -6.181 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.011 -5.572 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.081 -6.664 4.205 1.00 0.00 H new ATOM 382 N GLN A 25 13.612 -5.503 3.007 1.00 0.00 N ATOM 383 CA GLN A 25 14.986 -5.877 2.695 1.00 0.00 C ATOM 384 C GLN A 25 15.785 -4.662 2.233 1.00 0.00 C ATOM 385 O GLN A 25 16.946 -4.493 2.605 1.00 0.00 O ATOM 386 CB GLN A 25 15.009 -6.965 1.618 1.00 0.00 C ATOM 387 CG GLN A 25 15.525 -8.303 2.120 1.00 0.00 C ATOM 388 CD GLN A 25 16.451 -8.982 1.130 1.00 0.00 C ATOM 389 OE1 GLN A 25 16.994 -8.342 0.230 1.00 0.00 O ATOM 390 NE2 GLN A 25 16.636 -10.287 1.293 1.00 0.00 N ATOM 0 H GLN A 25 12.949 -5.660 2.248 1.00 0.00 H new ATOM 0 HA GLN A 25 15.448 -6.269 3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.001 -7.097 1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.633 -6.632 0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.053 -8.154 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 25 14.680 -8.959 2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.165 -10.778 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 25 17.249 -10.798 0.658 1.00 0.00 H new ATOM 399 N LEU A 26 15.155 -3.818 1.422 1.00 0.00 N ATOM 400 CA LEU A 26 15.805 -2.618 0.910 1.00 0.00 C ATOM 401 C LEU A 26 16.268 -1.718 2.054 1.00 0.00 C ATOM 402 O LEU A 26 17.446 -1.375 2.148 1.00 0.00 O ATOM 403 CB LEU A 26 14.852 -1.851 -0.007 1.00 0.00 C ATOM 404 CG LEU A 26 14.527 -2.550 -1.327 1.00 0.00 C ATOM 405 CD1 LEU A 26 13.311 -1.915 -1.983 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.725 -2.503 -2.264 1.00 0.00 C ATOM 0 H LEU A 26 14.194 -3.944 1.105 1.00 0.00 H new ATOM 0 HA LEU A 26 16.681 -2.924 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.921 -1.670 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.288 -0.876 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 26 14.296 -3.594 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.095 -2.426 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.452 -2.001 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.513 -0.862 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.476 -3.005 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.986 -1.465 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.572 -3.005 -1.797 1.00 0.00 H new ATOM 418 N GLU A 27 15.335 -1.342 2.922 1.00 0.00 N ATOM 419 CA GLU A 27 15.650 -0.487 4.060 1.00 0.00 C ATOM 420 C GLU A 27 16.034 -1.326 5.276 1.00 0.00 C ATOM 421 O GLU A 27 15.390 -1.253 6.323 1.00 0.00 O ATOM 422 CB GLU A 27 14.459 0.413 4.399 1.00 0.00 C ATOM 423 CG GLU A 27 13.193 -0.356 4.736 1.00 0.00 C ATOM 424 CD GLU A 27 12.621 0.025 6.088 1.00 0.00 C ATOM 425 OE1 GLU A 27 13.021 -0.594 7.097 1.00 0.00 O ATOM 426 OE2 GLU A 27 11.775 0.942 6.139 1.00 0.00 O ATOM 0 H GLU A 27 14.355 -1.616 2.859 1.00 0.00 H new ATOM 0 HA GLU A 27 16.499 0.140 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.724 1.049 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.260 1.072 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.445 -0.173 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.408 -1.425 4.725 1.00 0.00 H new ATOM 513 N GLN B 3 -17.103 4.646 3.344 1.00 0.00 N ATOM 514 CA GLN B 3 -16.259 4.761 4.529 1.00 0.00 C ATOM 515 C GLN B 3 -15.894 3.389 5.091 1.00 0.00 C ATOM 516 O GLN B 3 -14.772 3.175 5.548 1.00 0.00 O ATOM 517 CB GLN B 3 -16.970 5.590 5.602 1.00 0.00 C ATOM 518 CG GLN B 3 -16.619 7.067 5.558 1.00 0.00 C ATOM 519 CD GLN B 3 -17.621 7.926 6.305 1.00 0.00 C ATOM 520 OE1 GLN B 3 -18.824 7.665 6.273 1.00 0.00 O ATOM 521 NE2 GLN B 3 -17.129 8.958 6.980 1.00 0.00 N ATOM 0 HA GLN B 3 -15.337 5.261 4.234 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -18.048 5.477 5.482 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -16.715 5.193 6.585 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -15.628 7.214 5.987 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -16.568 7.394 4.519 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -16.125 9.136 6.978 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -17.755 9.572 7.500 1.00 0.00 H new ATOM 530 N ALA B 4 -16.849 2.468 5.063 1.00 0.00 N ATOM 531 CA ALA B 4 -16.627 1.120 5.581 1.00 0.00 C ATOM 532 C ALA B 4 -15.434 0.446 4.909 1.00 0.00 C ATOM 533 O ALA B 4 -14.781 -0.414 5.503 1.00 0.00 O ATOM 534 CB ALA B 4 -17.877 0.274 5.408 1.00 0.00 C ATOM 0 H ALA B 4 -17.784 2.627 4.688 1.00 0.00 H new ATOM 0 HA ALA B 4 -16.401 1.209 6.644 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -17.696 -0.727 5.799 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -18.704 0.731 5.951 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -18.130 0.210 4.350 1.00 0.00 H new ATOM 540 N LEU B 5 -15.142 0.845 3.676 1.00 0.00 N ATOM 541 CA LEU B 5 -14.016 0.283 2.936 1.00 0.00 C ATOM 542 C LEU B 5 -12.934 1.336 2.780 1.00 0.00 C ATOM 543 O LEU B 5 -11.757 1.096 3.051 1.00 0.00 O ATOM 544 CB LEU B 5 -14.470 -0.198 1.558 1.00 0.00 C ATOM 545 CG LEU B 5 -14.932 -1.652 1.488 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.985 -1.821 0.404 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.751 -2.572 1.229 1.00 0.00 C ATOM 0 H LEU B 5 -15.669 1.555 3.167 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.620 -0.568 3.490 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.286 0.441 1.220 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -13.647 -0.062 0.856 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.375 -1.921 2.447 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.304 -2.862 0.366 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.842 -1.186 0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.564 -1.535 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -14.097 -3.604 1.182 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.281 -2.303 0.283 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.026 -2.469 2.036 1.00 0.00 H new ATOM 559 N LYS B 6 -13.367 2.511 2.352 1.00 0.00 N ATOM 560 CA LYS B 6 -12.493 3.655 2.157 1.00 0.00 C ATOM 561 C LYS B 6 -11.522 3.795 3.324 1.00 0.00 C ATOM 562 O LYS B 6 -10.362 4.166 3.143 1.00 0.00 O ATOM 563 CB LYS B 6 -13.361 4.908 2.026 1.00 0.00 C ATOM 564 CG LYS B 6 -12.593 6.222 2.091 1.00 0.00 C ATOM 565 CD LYS B 6 -12.407 6.829 0.710 1.00 0.00 C ATOM 566 CE LYS B 6 -13.380 7.972 0.467 1.00 0.00 C ATOM 567 NZ LYS B 6 -13.684 8.144 -0.980 1.00 0.00 N ATOM 0 H LYS B 6 -14.344 2.698 2.128 1.00 0.00 H new ATOM 0 HA LYS B 6 -11.901 3.518 1.252 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -13.899 4.864 1.079 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -14.109 4.900 2.819 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -13.127 6.925 2.730 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -11.619 6.053 2.549 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -11.385 7.192 0.606 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -12.551 6.060 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -14.305 7.784 1.012 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -12.960 8.897 0.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -14.351 8.933 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -12.805 8.349 -1.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -14.109 7.271 -1.352 1.00 0.00 H new ATOM 581 N LYS B 7 -12.008 3.487 4.518 1.00 0.00 N ATOM 582 CA LYS B 7 -11.193 3.566 5.719 1.00 0.00 C ATOM 583 C LYS B 7 -10.325 2.321 5.857 1.00 0.00 C ATOM 584 O LYS B 7 -9.173 2.397 6.285 1.00 0.00 O ATOM 585 CB LYS B 7 -12.086 3.720 6.949 1.00 0.00 C ATOM 586 CG LYS B 7 -12.811 5.054 7.009 1.00 0.00 C ATOM 587 CD LYS B 7 -14.085 4.958 7.833 1.00 0.00 C ATOM 588 CE LYS B 7 -13.789 4.971 9.324 1.00 0.00 C ATOM 589 NZ LYS B 7 -14.297 6.208 9.982 1.00 0.00 N ATOM 0 H LYS B 7 -12.967 3.179 4.680 1.00 0.00 H new ATOM 0 HA LYS B 7 -10.542 4.437 5.641 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.821 2.915 6.957 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -11.478 3.605 7.846 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -12.153 5.808 7.441 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -13.054 5.383 5.999 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -14.743 5.791 7.585 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.618 4.043 7.575 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -14.244 4.098 9.792 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -12.713 4.892 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -14.075 6.177 10.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -13.844 7.040 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.327 6.271 9.855 1.00 0.00 H new ATOM 603 N ARG B 8 -10.888 1.174 5.488 1.00 0.00 N ATOM 604 CA ARG B 8 -10.169 -0.089 5.567 1.00 0.00 C ATOM 605 C ARG B 8 -9.021 -0.123 4.556 1.00 0.00 C ATOM 606 O ARG B 8 -7.977 -0.724 4.807 1.00 0.00 O ATOM 607 CB ARG B 8 -11.147 -1.267 5.376 1.00 0.00 C ATOM 608 CG ARG B 8 -11.135 -1.922 3.996 1.00 0.00 C ATOM 609 CD ARG B 8 -10.884 -3.422 4.099 1.00 0.00 C ATOM 610 NE ARG B 8 -12.056 -4.202 3.708 1.00 0.00 N ATOM 611 CZ ARG B 8 -12.323 -5.425 4.166 1.00 0.00 C ATOM 612 NH1 ARG B 8 -11.495 -6.023 5.013 1.00 0.00 N ATOM 613 NH2 ARG B 8 -13.421 -6.053 3.769 1.00 0.00 N ATOM 0 H ARG B 8 -11.840 1.095 5.131 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.723 -0.186 6.557 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.919 -2.029 6.121 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.157 -0.913 5.581 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.088 -1.744 3.498 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.362 -1.463 3.380 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -10.040 -3.693 3.464 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -10.606 -3.674 5.123 1.00 0.00 H new ATOM 0 HE ARG B 8 -12.709 -3.786 3.045 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.646 -5.547 5.319 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -11.707 -6.959 5.358 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -14.059 -5.600 3.115 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -13.628 -6.989 4.118 1.00 0.00 H new ATOM 627 N VAL B 9 -9.217 0.547 3.421 1.00 0.00 N ATOM 628 CA VAL B 9 -8.193 0.615 2.380 1.00 0.00 C ATOM 629 C VAL B 9 -6.927 1.245 2.944 1.00 0.00 C ATOM 630 O VAL B 9 -5.814 0.840 2.613 1.00 0.00 O ATOM 631 CB VAL B 9 -8.698 1.435 1.160 1.00 0.00 C ATOM 632 CG1 VAL B 9 -7.566 1.851 0.215 1.00 0.00 C ATOM 633 CG2 VAL B 9 -9.759 0.652 0.401 1.00 0.00 C ATOM 0 H VAL B 9 -10.076 1.050 3.199 1.00 0.00 H new ATOM 0 HA VAL B 9 -7.974 -0.398 2.043 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.134 2.353 1.554 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -7.978 2.421 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -6.848 2.467 0.756 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.065 0.961 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.104 1.238 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -9.334 -0.287 0.047 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -10.600 0.444 1.062 1.00 0.00 H new ATOM 643 N GLN B 10 -7.105 2.231 3.810 1.00 0.00 N ATOM 644 CA GLN B 10 -5.976 2.904 4.425 1.00 0.00 C ATOM 645 C GLN B 10 -5.080 1.899 5.139 1.00 0.00 C ATOM 646 O GLN B 10 -3.900 1.773 4.831 1.00 0.00 O ATOM 647 CB GLN B 10 -6.461 3.967 5.412 1.00 0.00 C ATOM 648 CG GLN B 10 -7.429 4.968 4.803 1.00 0.00 C ATOM 649 CD GLN B 10 -6.730 6.207 4.278 1.00 0.00 C ATOM 650 OE1 GLN B 10 -5.631 6.547 4.715 1.00 0.00 O ATOM 651 NE2 GLN B 10 -7.367 6.891 3.335 1.00 0.00 N ATOM 0 H GLN B 10 -8.018 2.581 4.101 1.00 0.00 H new ATOM 0 HA GLN B 10 -5.399 3.391 3.639 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.945 3.474 6.255 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -5.599 4.503 5.808 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -7.976 4.491 3.989 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -8.164 5.260 5.553 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -8.277 6.573 3.001 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -6.946 7.734 2.944 1.00 0.00 H new ATOM 660 N ALA B 11 -5.651 1.178 6.095 1.00 0.00 N ATOM 661 CA ALA B 11 -4.899 0.186 6.857 1.00 0.00 C ATOM 662 C ALA B 11 -3.951 -0.623 5.975 1.00 0.00 C ATOM 663 O ALA B 11 -2.894 -1.061 6.430 1.00 0.00 O ATOM 664 CB ALA B 11 -5.846 -0.737 7.608 1.00 0.00 C ATOM 0 H ALA B 11 -6.632 1.260 6.362 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.285 0.729 7.576 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.269 -1.471 8.171 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.457 -0.151 8.295 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.492 -1.252 6.897 1.00 0.00 H new ATOM 670 N LEU B 12 -4.319 -0.809 4.713 1.00 0.00 N ATOM 671 CA LEU B 12 -3.476 -1.555 3.787 1.00 0.00 C ATOM 672 C LEU B 12 -2.602 -0.582 2.994 1.00 0.00 C ATOM 673 O LEU B 12 -1.423 -0.392 3.292 1.00 0.00 O ATOM 674 CB LEU B 12 -4.331 -2.400 2.825 1.00 0.00 C ATOM 675 CG LEU B 12 -5.691 -2.857 3.372 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.584 -3.363 2.250 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.514 -3.933 4.428 1.00 0.00 C ATOM 0 H LEU B 12 -5.187 -0.457 4.310 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.842 -2.231 4.360 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.501 -1.823 1.916 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.759 -3.283 2.540 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.172 -1.995 3.834 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.542 -3.681 2.662 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.748 -2.564 1.527 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.104 -4.207 1.755 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.491 -4.241 4.801 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.005 -4.792 3.991 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.919 -3.540 5.252 1.00 0.00 H new ATOM 689 N LYS B 13 -3.204 0.031 1.985 1.00 0.00 N ATOM 690 CA LYS B 13 -2.546 0.978 1.124 1.00 0.00 C ATOM 691 C LYS B 13 -1.908 2.124 1.864 1.00 0.00 C ATOM 692 O LYS B 13 -0.876 2.635 1.432 1.00 0.00 O ATOM 693 CB LYS B 13 -3.576 1.549 0.190 1.00 0.00 C ATOM 694 CG LYS B 13 -3.015 2.045 -1.109 1.00 0.00 C ATOM 695 CD LYS B 13 -2.514 0.887 -1.928 1.00 0.00 C ATOM 696 CE LYS B 13 -2.813 1.099 -3.402 1.00 0.00 C ATOM 697 NZ LYS B 13 -2.243 0.023 -4.254 1.00 0.00 N ATOM 0 H LYS B 13 -4.183 -0.125 1.745 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.750 0.443 0.606 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.326 0.785 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -4.088 2.371 0.690 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.782 2.588 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -2.202 2.746 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.440 0.771 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.983 -0.036 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.892 1.142 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -2.410 2.061 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -2.675 0.063 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -1.215 0.154 -4.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -2.440 -0.902 -3.822 1.00 0.00 H new ATOM 711 N ALA B 14 -2.526 2.572 2.949 1.00 0.00 N ATOM 712 CA ALA B 14 -1.971 3.702 3.656 1.00 0.00 C ATOM 713 C ALA B 14 -0.489 3.474 3.917 1.00 0.00 C ATOM 714 O ALA B 14 0.311 4.410 3.921 1.00 0.00 O ATOM 715 CB ALA B 14 -2.715 3.992 4.952 1.00 0.00 C ATOM 0 H ALA B 14 -3.382 2.182 3.343 1.00 0.00 H new ATOM 0 HA ALA B 14 -2.090 4.582 3.024 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.261 4.850 5.448 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.759 4.212 4.731 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.658 3.122 5.607 1.00 0.00 H new ATOM 721 N ARG B 15 -0.137 2.207 4.102 1.00 0.00 N ATOM 722 CA ARG B 15 1.242 1.817 4.328 1.00 0.00 C ATOM 723 C ARG B 15 1.926 1.507 3.000 1.00 0.00 C ATOM 724 O ARG B 15 3.137 1.669 2.868 1.00 0.00 O ATOM 725 CB ARG B 15 1.308 0.597 5.248 1.00 0.00 C ATOM 726 CG ARG B 15 2.675 0.383 5.878 1.00 0.00 C ATOM 727 CD ARG B 15 2.842 1.208 7.143 1.00 0.00 C ATOM 728 NE ARG B 15 3.953 0.734 7.964 1.00 0.00 N ATOM 729 CZ ARG B 15 5.232 1.014 7.717 1.00 0.00 C ATOM 730 NH1 ARG B 15 5.563 1.767 6.675 1.00 0.00 N ATOM 731 NH2 ARG B 15 6.180 0.541 8.513 1.00 0.00 N ATOM 0 H ARG B 15 -0.797 1.429 4.099 1.00 0.00 H new ATOM 0 HA ARG B 15 1.762 2.646 4.809 1.00 0.00 H new ATOM 0 HB2 ARG B 15 0.566 0.708 6.039 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.036 -0.292 4.679 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.808 -0.673 6.112 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.452 0.651 5.162 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.009 2.252 6.876 1.00 0.00 H new ATOM 0 HD3 ARG B 15 1.921 1.171 7.724 1.00 0.00 H new ATOM 0 HE ARG B 15 3.737 0.154 8.775 1.00 0.00 H new ATOM 0 HH11 ARG B 15 4.837 2.134 6.060 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.543 1.979 6.490 1.00 0.00 H new ATOM 0 HH21 ARG B 15 5.931 -0.038 9.315 1.00 0.00 H new ATOM 0 HH22 ARG B 15 7.159 0.756 8.324 1.00 0.00 H new ATOM 745 N ASN B 16 1.141 1.055 2.016 1.00 0.00 N ATOM 746 CA ASN B 16 1.676 0.718 0.704 1.00 0.00 C ATOM 747 C ASN B 16 2.039 1.977 -0.082 1.00 0.00 C ATOM 748 O ASN B 16 3.152 2.102 -0.592 1.00 0.00 O ATOM 749 CB ASN B 16 0.651 -0.120 -0.064 1.00 0.00 C ATOM 750 CG ASN B 16 0.995 -0.304 -1.530 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.096 0.025 -1.970 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.046 -0.835 -2.292 1.00 0.00 N ATOM 0 H ASN B 16 0.135 0.916 2.109 1.00 0.00 H new ATOM 0 HA ASN B 16 2.589 0.138 0.836 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.568 -1.099 0.407 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -0.327 0.355 0.015 1.00 0.00 H new ATOM 0 HD21 ASN B 16 0.215 -0.985 -3.287 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.852 -1.092 -1.883 1.00 0.00 H new ATOM 759 N TYR B 17 1.091 2.904 -0.180 1.00 0.00 N ATOM 760 CA TYR B 17 1.311 4.151 -0.907 1.00 0.00 C ATOM 761 C TYR B 17 2.630 4.803 -0.498 1.00 0.00 C ATOM 762 O TYR B 17 3.254 5.513 -1.287 1.00 0.00 O ATOM 763 CB TYR B 17 0.153 5.122 -0.663 1.00 0.00 C ATOM 764 CG TYR B 17 0.337 6.468 -1.328 1.00 0.00 C ATOM 765 CD1 TYR B 17 -0.051 6.674 -2.646 1.00 0.00 C ATOM 766 CD2 TYR B 17 0.902 7.534 -0.637 1.00 0.00 C ATOM 767 CE1 TYR B 17 0.118 7.902 -3.257 1.00 0.00 C ATOM 768 CE2 TYR B 17 1.073 8.765 -1.240 1.00 0.00 C ATOM 769 CZ TYR B 17 0.680 8.944 -2.550 1.00 0.00 C ATOM 770 OH TYR B 17 0.849 10.168 -3.155 1.00 0.00 O ATOM 0 H TYR B 17 0.163 2.816 0.235 1.00 0.00 H new ATOM 0 HA TYR B 17 1.361 3.913 -1.970 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -0.770 4.671 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR B 17 0.035 5.270 0.410 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -0.492 5.860 -3.203 1.00 0.00 H new ATOM 0 HD2 TYR B 17 1.212 7.397 0.388 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -0.188 8.045 -4.283 1.00 0.00 H new ATOM 0 HE2 TYR B 17 1.512 9.583 -0.689 1.00 0.00 H new ATOM 0 HH TYR B 17 1.257 10.793 -2.520 1.00 0.00 H new ATOM 780 N ALA B 18 3.049 4.556 0.739 1.00 0.00 N ATOM 781 CA ALA B 18 4.292 5.121 1.249 1.00 0.00 C ATOM 782 C ALA B 18 5.500 4.375 0.696 1.00 0.00 C ATOM 783 O ALA B 18 6.441 4.992 0.195 1.00 0.00 O ATOM 784 CB ALA B 18 4.302 5.095 2.770 1.00 0.00 C ATOM 0 H ALA B 18 2.547 3.969 1.405 1.00 0.00 H new ATOM 0 HA ALA B 18 4.354 6.157 0.916 1.00 0.00 H new ATOM 0 HB1 ALA B 18 5.237 5.520 3.135 1.00 0.00 H new ATOM 0 HB2 ALA B 18 3.464 5.680 3.149 1.00 0.00 H new ATOM 0 HB3 ALA B 18 4.212 4.066 3.117 1.00 0.00 H new ATOM 790 N LEU B 19 5.472 3.048 0.781 1.00 0.00 N ATOM 791 CA LEU B 19 6.575 2.240 0.273 1.00 0.00 C ATOM 792 C LEU B 19 6.726 2.451 -1.227 1.00 0.00 C ATOM 793 O LEU B 19 7.796 2.823 -1.705 1.00 0.00 O ATOM 794 CB LEU B 19 6.361 0.751 0.564 1.00 0.00 C ATOM 795 CG LEU B 19 5.554 0.430 1.826 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.646 -1.052 2.155 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.037 1.269 3.002 1.00 0.00 C ATOM 0 H LEU B 19 4.706 2.514 1.192 1.00 0.00 H new ATOM 0 HA LEU B 19 7.484 2.559 0.783 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.857 0.301 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.337 0.272 0.647 1.00 0.00 H new ATOM 0 HG LEU B 19 4.510 0.677 1.636 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.067 -1.262 3.054 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.249 -1.635 1.324 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.688 -1.323 2.323 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.451 1.025 3.888 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.089 1.056 3.193 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.918 2.327 2.768 1.00 0.00 H new ATOM 809 N LYS B 20 5.636 2.222 -1.960 1.00 0.00 N ATOM 810 CA LYS B 20 5.620 2.389 -3.414 1.00 0.00 C ATOM 811 C LYS B 20 6.356 3.656 -3.842 1.00 0.00 C ATOM 812 O LYS B 20 6.908 3.724 -4.940 1.00 0.00 O ATOM 813 CB LYS B 20 4.177 2.439 -3.917 1.00 0.00 C ATOM 814 CG LYS B 20 3.956 1.673 -5.213 1.00 0.00 C ATOM 815 CD LYS B 20 2.677 0.850 -5.164 1.00 0.00 C ATOM 816 CE LYS B 20 2.733 -0.327 -6.124 1.00 0.00 C ATOM 817 NZ LYS B 20 1.889 -0.103 -7.330 1.00 0.00 N ATOM 0 H LYS B 20 4.745 1.918 -1.567 1.00 0.00 H new ATOM 0 HA LYS B 20 6.135 1.534 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.519 2.033 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS B 20 3.889 3.480 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS B 20 3.907 2.373 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS B 20 4.806 1.016 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.517 0.486 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS B 20 1.826 1.484 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.765 -0.496 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.400 -1.229 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.955 -0.929 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.899 0.033 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.222 0.743 -7.834 1.00 0.00 H new ATOM 831 N GLN B 21 6.353 4.656 -2.970 1.00 0.00 N ATOM 832 CA GLN B 21 7.012 5.921 -3.258 1.00 0.00 C ATOM 833 C GLN B 21 8.492 5.883 -2.877 1.00 0.00 C ATOM 834 O GLN B 21 9.337 6.426 -3.589 1.00 0.00 O ATOM 835 CB GLN B 21 6.307 7.053 -2.505 1.00 0.00 C ATOM 836 CG GLN B 21 6.923 8.423 -2.741 1.00 0.00 C ATOM 837 CD GLN B 21 6.614 9.400 -1.623 1.00 0.00 C ATOM 838 OE1 GLN B 21 7.336 9.471 -0.629 1.00 0.00 O ATOM 839 NE2 GLN B 21 5.536 10.159 -1.781 1.00 0.00 N ATOM 0 H GLN B 21 5.901 4.614 -2.057 1.00 0.00 H new ATOM 0 HA GLN B 21 6.949 6.098 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.259 7.079 -2.805 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.327 6.835 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.004 8.320 -2.840 1.00 0.00 H new ATOM 0 HG3 GLN B 21 6.553 8.826 -3.684 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.966 10.067 -2.622 1.00 0.00 H new ATOM 0 HE22 GLN B 21 5.278 10.835 -1.062 1.00 0.00 H new ATOM 848 N LYS B 22 8.797 5.262 -1.741 1.00 0.00 N ATOM 849 CA LYS B 22 10.175 5.182 -1.258 1.00 0.00 C ATOM 850 C LYS B 22 10.912 3.934 -1.757 1.00 0.00 C ATOM 851 O LYS B 22 12.107 3.785 -1.503 1.00 0.00 O ATOM 852 CB LYS B 22 10.194 5.208 0.271 1.00 0.00 C ATOM 853 CG LYS B 22 9.454 4.041 0.904 1.00 0.00 C ATOM 854 CD LYS B 22 10.349 3.252 1.848 1.00 0.00 C ATOM 855 CE LYS B 22 10.642 4.028 3.122 1.00 0.00 C ATOM 856 NZ LYS B 22 9.561 3.869 4.133 1.00 0.00 N ATOM 0 H LYS B 22 8.111 4.807 -1.138 1.00 0.00 H new ATOM 0 HA LYS B 22 10.699 6.049 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS B 22 11.229 5.202 0.614 1.00 0.00 H new ATOM 0 HB3 LYS B 22 9.749 6.141 0.617 1.00 0.00 H new ATOM 0 HG2 LYS B 22 8.587 4.413 1.450 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.079 3.381 0.122 1.00 0.00 H new ATOM 0 HD2 LYS B 22 9.869 2.306 2.100 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.285 3.010 1.345 1.00 0.00 H new ATOM 0 HE2 LYS B 22 11.587 3.687 3.545 1.00 0.00 H new ATOM 0 HE3 LYS B 22 10.763 5.085 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 9.800 4.414 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 8.664 4.218 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 9.463 2.864 4.381 1.00 0.00 H new ATOM 870 N VAL B 23 10.213 3.034 -2.451 1.00 0.00 N ATOM 871 CA VAL B 23 10.845 1.808 -2.951 1.00 0.00 C ATOM 872 C VAL B 23 12.187 2.107 -3.614 1.00 0.00 C ATOM 873 O VAL B 23 13.229 1.618 -3.177 1.00 0.00 O ATOM 874 CB VAL B 23 9.958 1.056 -3.965 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.496 -0.347 -4.202 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.518 0.999 -3.490 1.00 0.00 C ATOM 0 H VAL B 23 9.223 3.127 -2.678 1.00 0.00 H new ATOM 0 HA VAL B 23 10.992 1.174 -2.077 1.00 0.00 H new ATOM 0 HB VAL B 23 9.982 1.603 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.859 -0.864 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.511 -0.286 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.504 -0.897 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL B 23 7.914 0.464 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL B 23 8.471 0.480 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.133 2.012 -3.373 1.00 0.00 H new ATOM 886 N GLN B 24 12.153 2.912 -4.670 1.00 0.00 N ATOM 887 CA GLN B 24 13.367 3.275 -5.392 1.00 0.00 C ATOM 888 C GLN B 24 14.310 4.078 -4.503 1.00 0.00 C ATOM 889 O GLN B 24 15.527 3.901 -4.553 1.00 0.00 O ATOM 890 CB GLN B 24 13.021 4.081 -6.646 1.00 0.00 C ATOM 891 CG GLN B 24 11.813 3.547 -7.399 1.00 0.00 C ATOM 892 CD GLN B 24 11.726 4.078 -8.816 1.00 0.00 C ATOM 893 OE1 GLN B 24 10.708 4.640 -9.219 1.00 0.00 O ATOM 894 NE2 GLN B 24 12.797 3.901 -9.581 1.00 0.00 N ATOM 0 H GLN B 24 11.299 3.325 -5.045 1.00 0.00 H new ATOM 0 HA GLN B 24 13.870 2.355 -5.688 1.00 0.00 H new ATOM 0 HB2 GLN B 24 12.833 5.116 -6.362 1.00 0.00 H new ATOM 0 HB3 GLN B 24 13.882 4.085 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN B 24 11.859 2.458 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN B 24 10.905 3.815 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN B 24 13.620 3.429 -9.205 1.00 0.00 H new ATOM 0 HE22 GLN B 24 12.797 4.237 -10.544 1.00 0.00 H new ATOM 903 N ALA B 25 13.739 4.960 -3.687 1.00 0.00 N ATOM 904 CA ALA B 25 14.528 5.791 -2.784 1.00 0.00 C ATOM 905 C ALA B 25 15.405 4.935 -1.876 1.00 0.00 C ATOM 906 O ALA B 25 16.480 5.360 -1.452 1.00 0.00 O ATOM 907 CB ALA B 25 13.616 6.681 -1.955 1.00 0.00 C ATOM 0 H ALA B 25 12.733 5.117 -3.633 1.00 0.00 H new ATOM 0 HA ALA B 25 15.182 6.421 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA B 25 14.218 7.296 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.037 7.325 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA B 25 12.939 6.061 -1.368 1.00 0.00 H new ATOM 913 N LEU B 26 14.939 3.725 -1.581 1.00 0.00 N ATOM 914 CA LEU B 26 15.679 2.807 -0.724 1.00 0.00 C ATOM 915 C LEU B 26 16.828 2.155 -1.486 1.00 0.00 C ATOM 916 O LEU B 26 17.997 2.355 -1.159 1.00 0.00 O ATOM 917 CB LEU B 26 14.746 1.731 -0.167 1.00 0.00 C ATOM 918 CG LEU B 26 13.685 2.235 0.814 1.00 0.00 C ATOM 919 CD1 LEU B 26 12.885 1.072 1.375 1.00 0.00 C ATOM 920 CD2 LEU B 26 14.334 3.031 1.938 1.00 0.00 C ATOM 0 H LEU B 26 14.051 3.358 -1.924 1.00 0.00 H new ATOM 0 HA LEU B 26 16.096 3.381 0.104 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.244 1.241 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.349 0.973 0.332 1.00 0.00 H new ATOM 0 HG LEU B 26 13.003 2.894 0.277 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.135 1.448 2.071 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.391 0.543 0.560 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.554 0.389 1.898 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.565 3.382 2.626 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.038 2.395 2.474 1.00 0.00 H new ATOM 0 HD23 LEU B 26 14.864 3.887 1.519 1.00 0.00 H new ATOM 932 N ARG B 27 16.487 1.370 -2.506 1.00 0.00 N ATOM 933 CA ARG B 27 17.491 0.685 -3.315 1.00 0.00 C ATOM 934 C ARG B 27 18.540 1.662 -3.840 1.00 0.00 C ATOM 935 O ARG B 27 19.678 1.278 -4.111 1.00 0.00 O ATOM 936 CB ARG B 27 16.826 -0.043 -4.486 1.00 0.00 C ATOM 937 CG ARG B 27 15.807 0.801 -5.235 1.00 0.00 C ATOM 938 CD ARG B 27 14.554 0.003 -5.561 1.00 0.00 C ATOM 939 NE ARG B 27 14.008 0.354 -6.869 1.00 0.00 N ATOM 940 CZ ARG B 27 13.155 -0.410 -7.547 1.00 0.00 C ATOM 941 NH1 ARG B 27 12.749 -1.570 -7.045 1.00 0.00 N ATOM 942 NH2 ARG B 27 12.705 -0.013 -8.730 1.00 0.00 N ATOM 0 H ARG B 27 15.524 1.193 -2.791 1.00 0.00 H new ATOM 0 HA ARG B 27 17.991 -0.044 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG B 27 17.597 -0.369 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG B 27 16.335 -0.941 -4.111 1.00 0.00 H new ATOM 0 HG2 ARG B 27 15.540 1.670 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG B 27 16.251 1.176 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG B 27 14.786 -1.062 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG B 27 13.801 0.181 -4.794 1.00 0.00 H new ATOM 0 HE ARG B 27 14.298 1.238 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG B 27 13.091 -1.880 -6.135 1.00 0.00 H new ATOM 0 HH12 ARG B 27 12.095 -2.152 -7.569 1.00 0.00 H new ATOM 0 HH21 ARG B 27 13.013 0.878 -9.120 1.00 0.00 H new ATOM 0 HH22 ARG B 27 12.051 -0.599 -9.250 1.00 0.00 H new