USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=4 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= -0.614 K(o=-0.61,f=-2.2) USER MOD Single : A 16 ASN : amide:sc= -2.99! C(o=-3!,f=-3.6!) 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= -0.29 X(o=-0.29,f=-0.35) USER MOD Single : A 25 GLN : amide:sc=-0.00425 X(o=-0.0043,f=-0.15) USER MOD Single : B 3 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.046) 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 :FLIP amide:sc= -0.111 F(o=-0.86,f=-0.11) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -4.94! C(o=-4.9!,f=-8.1!) 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=-0.46) USER MOD Single : B 22 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00743) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -14.932 0.857 -3.767 1.00 0.00 N ATOM 66 CA LEU A 5 -14.476 0.814 -2.381 1.00 0.00 C ATOM 67 C LEU A 5 -13.949 -0.573 -2.020 1.00 0.00 C ATOM 68 O LEU A 5 -13.092 -0.712 -1.148 1.00 0.00 O ATOM 69 CB LEU A 5 -15.616 1.199 -1.434 1.00 0.00 C ATOM 70 CG LEU A 5 -16.520 2.328 -1.930 1.00 0.00 C ATOM 71 CD1 LEU A 5 -17.747 2.459 -1.041 1.00 0.00 C ATOM 72 CD2 LEU A 5 -15.752 3.639 -1.984 1.00 0.00 C ATOM 0 HA LEU A 5 -13.662 1.531 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.230 0.317 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.188 1.492 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.854 2.085 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.379 3.267 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.308 1.525 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.435 2.679 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.410 4.432 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.388 3.889 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.906 3.538 -2.664 1.00 0.00 H new ATOM 84 N GLU A 6 -14.469 -1.595 -2.691 1.00 0.00 N ATOM 85 CA GLU A 6 -14.051 -2.969 -2.435 1.00 0.00 C ATOM 86 C GLU A 6 -12.821 -3.333 -3.261 1.00 0.00 C ATOM 87 O GLU A 6 -11.789 -3.722 -2.714 1.00 0.00 O ATOM 88 CB GLU A 6 -15.192 -3.939 -2.747 1.00 0.00 C ATOM 89 CG GLU A 6 -16.538 -3.490 -2.203 1.00 0.00 C ATOM 90 CD GLU A 6 -17.445 -4.655 -1.859 1.00 0.00 C ATOM 91 OE1 GLU A 6 -17.385 -5.683 -2.566 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.215 -4.541 -0.881 1.00 0.00 O ATOM 0 H GLU A 6 -15.180 -1.498 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.792 -3.048 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.269 -4.061 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.950 -4.917 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.381 -2.881 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.031 -2.856 -2.940 1.00 0.00 H new ATOM 99 N LYS A 7 -12.938 -3.205 -4.578 1.00 0.00 N ATOM 100 CA LYS A 7 -11.836 -3.525 -5.480 1.00 0.00 C ATOM 101 C LYS A 7 -10.590 -2.717 -5.132 1.00 0.00 C ATOM 102 O LYS A 7 -9.466 -3.162 -5.363 1.00 0.00 O ATOM 103 CB LYS A 7 -12.242 -3.260 -6.930 1.00 0.00 C ATOM 104 CG LYS A 7 -13.605 -3.829 -7.294 1.00 0.00 C ATOM 105 CD LYS A 7 -13.568 -4.571 -8.621 1.00 0.00 C ATOM 106 CE LYS A 7 -13.129 -3.661 -9.757 1.00 0.00 C ATOM 107 NZ LYS A 7 -13.864 -3.953 -11.019 1.00 0.00 N ATOM 0 H LYS A 7 -13.785 -2.882 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.602 -4.583 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.248 -2.184 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.490 -3.688 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.939 -4.506 -6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.334 -3.021 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.885 -5.417 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.556 -4.977 -8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.293 -2.621 -9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.059 -3.780 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.535 -3.311 -11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.687 -4.937 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.883 -3.815 -10.867 1.00 0.00 H new ATOM 121 N GLU A 8 -10.794 -1.530 -4.572 1.00 0.00 N ATOM 122 CA GLU A 8 -9.682 -0.668 -4.192 1.00 0.00 C ATOM 123 C GLU A 8 -8.812 -1.336 -3.131 1.00 0.00 C ATOM 124 O GLU A 8 -7.634 -1.009 -2.986 1.00 0.00 O ATOM 125 CB GLU A 8 -10.200 0.674 -3.678 1.00 0.00 C ATOM 126 CG GLU A 8 -9.139 1.761 -3.645 1.00 0.00 C ATOM 127 CD GLU A 8 -9.723 3.139 -3.401 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.718 3.488 -4.072 1.00 0.00 O ATOM 129 OE2 GLU A 8 -9.187 3.867 -2.541 1.00 0.00 O ATOM 0 H GLU A 8 -11.717 -1.144 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.071 -0.495 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.025 1.002 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.602 0.539 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.415 1.533 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.596 1.763 -4.590 1.00 0.00 H new ATOM 136 N VAL A 9 -9.396 -2.279 -2.395 1.00 0.00 N ATOM 137 CA VAL A 9 -8.667 -2.993 -1.354 1.00 0.00 C ATOM 138 C VAL A 9 -7.692 -3.994 -1.967 1.00 0.00 C ATOM 139 O VAL A 9 -6.482 -3.899 -1.766 1.00 0.00 O ATOM 140 CB VAL A 9 -9.625 -3.730 -0.395 1.00 0.00 C ATOM 141 CG1 VAL A 9 -8.851 -4.581 0.603 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.519 -2.734 0.328 1.00 0.00 C ATOM 0 H VAL A 9 -10.369 -2.565 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.110 -2.250 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.254 -4.396 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.550 -5.089 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.257 -5.321 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.191 -3.943 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.189 -3.269 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.903 -2.043 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.106 -2.176 -0.401 1.00 0.00 H new ATOM 152 N ALA A 10 -8.227 -4.948 -2.722 1.00 0.00 N ATOM 153 CA ALA A 10 -7.402 -5.961 -3.371 1.00 0.00 C ATOM 154 C ALA A 10 -6.307 -5.313 -4.211 1.00 0.00 C ATOM 155 O ALA A 10 -5.258 -5.910 -4.451 1.00 0.00 O ATOM 156 CB ALA A 10 -8.264 -6.872 -4.233 1.00 0.00 C ATOM 0 H ALA A 10 -9.227 -5.041 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.925 -6.561 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.635 -7.623 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.008 -7.366 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.767 -6.280 -4.998 1.00 0.00 H new ATOM 162 N GLN A 11 -6.559 -4.083 -4.652 1.00 0.00 N ATOM 163 CA GLN A 11 -5.598 -3.346 -5.461 1.00 0.00 C ATOM 164 C GLN A 11 -4.351 -3.009 -4.646 1.00 0.00 C ATOM 165 O GLN A 11 -3.229 -3.284 -5.072 1.00 0.00 O ATOM 166 CB GLN A 11 -6.239 -2.067 -6.006 1.00 0.00 C ATOM 167 CG GLN A 11 -5.266 -1.156 -6.739 1.00 0.00 C ATOM 168 CD GLN A 11 -4.916 0.086 -5.944 1.00 0.00 C ATOM 169 OE1 GLN A 11 -3.743 0.370 -5.699 1.00 0.00 O ATOM 170 NE2 GLN A 11 -5.934 0.833 -5.536 1.00 0.00 N ATOM 0 H GLN A 11 -7.424 -3.577 -4.461 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.298 -3.975 -6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.049 -2.338 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.686 -1.515 -5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.354 -1.709 -6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.700 -0.861 -7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.890 0.559 -5.762 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.760 1.681 -4.996 1.00 0.00 H new ATOM 179 N LEU A 12 -4.552 -2.418 -3.472 1.00 0.00 N ATOM 180 CA LEU A 12 -3.438 -2.052 -2.605 1.00 0.00 C ATOM 181 C LEU A 12 -2.892 -3.278 -1.882 1.00 0.00 C ATOM 182 O LEU A 12 -1.687 -3.396 -1.667 1.00 0.00 O ATOM 183 CB LEU A 12 -3.867 -0.997 -1.584 1.00 0.00 C ATOM 184 CG LEU A 12 -4.442 0.289 -2.182 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.207 1.072 -1.128 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.329 1.141 -2.776 1.00 0.00 C ATOM 0 H LEU A 12 -5.472 -2.183 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.651 -1.633 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.613 -1.437 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.006 -0.739 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.135 0.020 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.608 1.983 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.026 0.463 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.536 1.332 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.754 2.052 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.614 1.401 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.821 0.581 -3.561 1.00 0.00 H new ATOM 198 N GLU A 13 -3.783 -4.188 -1.508 1.00 0.00 N ATOM 199 CA GLU A 13 -3.383 -5.404 -0.809 1.00 0.00 C ATOM 200 C GLU A 13 -2.327 -6.171 -1.604 1.00 0.00 C ATOM 201 O GLU A 13 -1.549 -6.940 -1.039 1.00 0.00 O ATOM 202 CB GLU A 13 -4.600 -6.297 -0.557 1.00 0.00 C ATOM 203 CG GLU A 13 -5.243 -6.077 0.802 1.00 0.00 C ATOM 204 CD GLU A 13 -6.388 -7.034 1.067 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.264 -7.170 0.186 1.00 0.00 O ATOM 206 OE2 GLU A 13 -6.410 -7.648 2.154 1.00 0.00 O ATOM 0 H GLU A 13 -4.786 -4.108 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.949 -5.115 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.342 -6.115 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.299 -7.341 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.489 -6.195 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.609 -5.052 0.865 1.00 0.00 H new ATOM 213 N ALA A 14 -2.305 -5.953 -2.916 1.00 0.00 N ATOM 214 CA ALA A 14 -1.343 -6.621 -3.784 1.00 0.00 C ATOM 215 C ALA A 14 -0.031 -5.847 -3.845 1.00 0.00 C ATOM 216 O ALA A 14 1.049 -6.438 -3.890 1.00 0.00 O ATOM 217 CB ALA A 14 -1.922 -6.794 -5.180 1.00 0.00 C ATOM 0 H ALA A 14 -2.942 -5.320 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.135 -7.606 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.193 -7.294 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.829 -7.396 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.160 -5.816 -5.599 1.00 0.00 H new ATOM 223 N GLU A 15 -0.132 -4.521 -3.847 1.00 0.00 N ATOM 224 CA GLU A 15 1.048 -3.664 -3.902 1.00 0.00 C ATOM 225 C GLU A 15 1.625 -3.449 -2.507 1.00 0.00 C ATOM 226 O GLU A 15 2.805 -3.705 -2.265 1.00 0.00 O ATOM 227 CB GLU A 15 0.696 -2.317 -4.535 1.00 0.00 C ATOM 228 CG GLU A 15 1.909 -1.523 -4.989 1.00 0.00 C ATOM 229 CD GLU A 15 1.710 -0.878 -6.346 1.00 0.00 C ATOM 230 OE1 GLU A 15 0.994 0.142 -6.420 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.271 -1.393 -7.336 1.00 0.00 O ATOM 0 H GLU A 15 -1.018 -4.017 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 15 1.800 -4.159 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.042 -2.487 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.132 -1.723 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.129 -0.750 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.776 -2.182 -5.028 1.00 0.00 H new ATOM 238 N ASN A 16 0.784 -2.979 -1.591 1.00 0.00 N ATOM 239 CA ASN A 16 1.202 -2.729 -0.216 1.00 0.00 C ATOM 240 C ASN A 16 1.835 -3.973 0.404 1.00 0.00 C ATOM 241 O ASN A 16 2.624 -3.874 1.344 1.00 0.00 O ATOM 242 CB ASN A 16 0.000 -2.285 0.620 1.00 0.00 C ATOM 243 CG ASN A 16 0.368 -1.990 2.060 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.527 -1.720 2.375 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.622 -2.042 2.943 1.00 0.00 N ATOM 0 H ASN A 16 -0.195 -2.763 -1.777 1.00 0.00 H new ATOM 0 HA ASN A 16 1.951 -1.937 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.440 -1.394 0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.762 -3.064 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.437 -1.854 3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.568 -2.270 2.636 1.00 0.00 H new ATOM 252 N TYR A 17 1.482 -5.142 -0.121 1.00 0.00 N ATOM 253 CA TYR A 17 2.012 -6.402 0.388 1.00 0.00 C ATOM 254 C TYR A 17 3.419 -6.666 -0.142 1.00 0.00 C ATOM 255 O TYR A 17 4.346 -6.913 0.629 1.00 0.00 O ATOM 256 CB TYR A 17 1.087 -7.558 0.005 1.00 0.00 C ATOM 257 CG TYR A 17 1.565 -8.908 0.491 1.00 0.00 C ATOM 258 CD1 TYR A 17 1.539 -9.229 1.843 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.045 -9.858 -0.401 1.00 0.00 C ATOM 260 CE1 TYR A 17 1.978 -10.460 2.291 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.486 -11.092 0.040 1.00 0.00 C ATOM 262 CZ TYR A 17 2.450 -11.388 1.386 1.00 0.00 C ATOM 263 OH TYR A 17 2.886 -12.616 1.829 1.00 0.00 O ATOM 0 H TYR A 17 0.831 -5.243 -0.899 1.00 0.00 H new ATOM 0 HA TYR A 17 2.065 -6.327 1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.094 -7.367 0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.987 -7.587 -1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.170 -8.505 2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.074 -9.629 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.952 -10.695 3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.857 -11.820 -0.666 1.00 0.00 H new ATOM 0 HH TYR A 17 3.185 -13.152 1.065 1.00 0.00 H new ATOM 273 N GLN A 18 3.571 -6.622 -1.462 1.00 0.00 N ATOM 274 CA GLN A 18 4.865 -6.866 -2.092 1.00 0.00 C ATOM 275 C GLN A 18 5.920 -5.887 -1.587 1.00 0.00 C ATOM 276 O GLN A 18 7.097 -6.232 -1.479 1.00 0.00 O ATOM 277 CB GLN A 18 4.744 -6.761 -3.612 1.00 0.00 C ATOM 278 CG GLN A 18 4.132 -5.452 -4.084 1.00 0.00 C ATOM 279 CD GLN A 18 4.334 -5.215 -5.568 1.00 0.00 C ATOM 280 OE1 GLN A 18 4.012 -6.068 -6.394 1.00 0.00 O ATOM 281 NE2 GLN A 18 4.871 -4.050 -5.914 1.00 0.00 N ATOM 0 H GLN A 18 2.815 -6.420 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 18 5.180 -7.875 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.734 -6.871 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.137 -7.589 -3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.065 -5.453 -3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.573 -4.627 -3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.123 -3.371 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.031 -3.834 -6.898 1.00 0.00 H new ATOM 290 N LEU A 19 5.495 -4.665 -1.282 1.00 0.00 N ATOM 291 CA LEU A 19 6.410 -3.640 -0.794 1.00 0.00 C ATOM 292 C LEU A 19 6.790 -3.894 0.659 1.00 0.00 C ATOM 293 O LEU A 19 7.968 -3.917 1.005 1.00 0.00 O ATOM 294 CB LEU A 19 5.779 -2.255 -0.932 1.00 0.00 C ATOM 295 CG LEU A 19 5.511 -1.801 -2.369 1.00 0.00 C ATOM 296 CD1 LEU A 19 5.011 -0.364 -2.392 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.769 -1.945 -3.216 1.00 0.00 C ATOM 0 H LEU A 19 4.525 -4.361 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 19 7.315 -3.682 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.837 -2.246 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.433 -1.526 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 19 4.736 -2.439 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.826 -0.060 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.086 -0.292 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.763 0.290 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.561 -1.618 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.565 -1.331 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.083 -2.989 -3.227 1.00 0.00 H new ATOM 309 N GLU A 20 5.786 -4.080 1.510 1.00 0.00 N ATOM 310 CA GLU A 20 6.023 -4.330 2.929 1.00 0.00 C ATOM 311 C GLU A 20 7.035 -5.454 3.134 1.00 0.00 C ATOM 312 O GLU A 20 7.722 -5.505 4.154 1.00 0.00 O ATOM 313 CB GLU A 20 4.710 -4.678 3.632 1.00 0.00 C ATOM 314 CG GLU A 20 4.697 -4.318 5.109 1.00 0.00 C ATOM 315 CD GLU A 20 3.650 -5.093 5.886 1.00 0.00 C ATOM 316 OE1 GLU A 20 2.716 -5.630 5.255 1.00 0.00 O ATOM 317 OE2 GLU A 20 3.764 -5.161 7.128 1.00 0.00 O ATOM 0 H GLU A 20 4.802 -4.063 1.243 1.00 0.00 H new ATOM 0 HA GLU A 20 6.434 -3.419 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.892 -4.159 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.522 -5.746 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.681 -4.514 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.509 -3.250 5.218 1.00 0.00 H new ATOM 324 N GLN A 21 7.120 -6.355 2.160 1.00 0.00 N ATOM 325 CA GLN A 21 8.047 -7.477 2.237 1.00 0.00 C ATOM 326 C GLN A 21 9.362 -7.158 1.528 1.00 0.00 C ATOM 327 O GLN A 21 10.404 -7.731 1.848 1.00 0.00 O ATOM 328 CB GLN A 21 7.414 -8.729 1.626 1.00 0.00 C ATOM 329 CG GLN A 21 7.506 -9.956 2.519 1.00 0.00 C ATOM 330 CD GLN A 21 6.939 -9.713 3.904 1.00 0.00 C ATOM 331 OE1 GLN A 21 5.876 -9.109 4.056 1.00 0.00 O ATOM 332 NE2 GLN A 21 7.647 -10.185 4.924 1.00 0.00 N ATOM 0 H GLN A 21 6.558 -6.329 1.309 1.00 0.00 H new ATOM 0 HA GLN A 21 8.264 -7.661 3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.365 -8.526 1.408 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.901 -8.945 0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.971 -10.782 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.549 -10.260 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.522 -10.679 4.752 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.315 -10.053 5.879 1.00 0.00 H new ATOM 341 N GLU A 22 9.310 -6.242 0.564 1.00 0.00 N ATOM 342 CA GLU A 22 10.501 -5.856 -0.185 1.00 0.00 C ATOM 343 C GLU A 22 11.233 -4.707 0.500 1.00 0.00 C ATOM 344 O GLU A 22 12.454 -4.583 0.392 1.00 0.00 O ATOM 345 CB GLU A 22 10.123 -5.455 -1.613 1.00 0.00 C ATOM 346 CG GLU A 22 11.243 -5.663 -2.619 1.00 0.00 C ATOM 347 CD GLU A 22 10.807 -5.380 -4.044 1.00 0.00 C ATOM 348 OE1 GLU A 22 10.707 -4.190 -4.409 1.00 0.00 O ATOM 349 OE2 GLU A 22 10.564 -6.349 -4.793 1.00 0.00 O ATOM 0 H GLU A 22 8.458 -5.755 0.284 1.00 0.00 H new ATOM 0 HA GLU A 22 11.169 -6.716 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.253 -6.033 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.829 -4.406 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.081 -5.014 -2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.602 -6.690 -2.550 1.00 0.00 H new ATOM 356 N VAL A 23 10.482 -3.867 1.203 1.00 0.00 N ATOM 357 CA VAL A 23 11.060 -2.728 1.904 1.00 0.00 C ATOM 358 C VAL A 23 11.717 -3.165 3.209 1.00 0.00 C ATOM 359 O VAL A 23 12.687 -2.559 3.660 1.00 0.00 O ATOM 360 CB VAL A 23 9.997 -1.656 2.214 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.658 -0.359 2.653 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.096 -1.424 1.006 1.00 0.00 C ATOM 0 H VAL A 23 9.471 -3.954 1.302 1.00 0.00 H new ATOM 0 HA VAL A 23 11.813 -2.300 1.243 1.00 0.00 H new ATOM 0 HB VAL A 23 9.376 -2.016 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.891 0.386 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.251 -0.538 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.306 0.007 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.353 -0.664 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.698 -1.088 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.592 -2.354 0.744 1.00 0.00 H new ATOM 372 N ALA A 24 11.179 -4.223 3.807 1.00 0.00 N ATOM 373 CA ALA A 24 11.710 -4.746 5.059 1.00 0.00 C ATOM 374 C ALA A 24 13.105 -5.337 4.868 1.00 0.00 C ATOM 375 O ALA A 24 13.872 -5.456 5.823 1.00 0.00 O ATOM 376 CB ALA A 24 10.767 -5.796 5.628 1.00 0.00 C ATOM 0 H ALA A 24 10.375 -4.735 3.444 1.00 0.00 H new ATOM 0 HA ALA A 24 11.791 -3.918 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.173 -6.181 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.791 -5.347 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.660 -6.614 4.915 1.00 0.00 H new ATOM 382 N GLN A 25 13.427 -5.707 3.632 1.00 0.00 N ATOM 383 CA GLN A 25 14.729 -6.288 3.325 1.00 0.00 C ATOM 384 C GLN A 25 15.624 -5.285 2.604 1.00 0.00 C ATOM 385 O GLN A 25 16.837 -5.257 2.817 1.00 0.00 O ATOM 386 CB GLN A 25 14.560 -7.545 2.470 1.00 0.00 C ATOM 387 CG GLN A 25 13.600 -8.561 3.067 1.00 0.00 C ATOM 388 CD GLN A 25 13.812 -9.959 2.517 1.00 0.00 C ATOM 389 OE1 GLN A 25 14.924 -10.485 2.541 1.00 0.00 O ATOM 390 NE2 GLN A 25 12.742 -10.566 2.016 1.00 0.00 N ATOM 0 H GLN A 25 12.805 -5.615 2.829 1.00 0.00 H new ATOM 0 HA GLN A 25 15.207 -6.557 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.203 -7.257 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.534 -8.015 2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.723 -8.578 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.575 -8.248 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.839 -10.091 2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.823 -11.507 1.630 1.00 0.00 H new ATOM 399 N LEU A 26 15.023 -4.464 1.748 1.00 0.00 N ATOM 400 CA LEU A 26 15.773 -3.463 0.997 1.00 0.00 C ATOM 401 C LEU A 26 16.536 -2.530 1.935 1.00 0.00 C ATOM 402 O LEU A 26 17.718 -2.258 1.729 1.00 0.00 O ATOM 403 CB LEU A 26 14.832 -2.650 0.105 1.00 0.00 C ATOM 404 CG LEU A 26 14.541 -3.269 -1.263 1.00 0.00 C ATOM 405 CD1 LEU A 26 13.598 -2.381 -2.061 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.837 -3.496 -2.029 1.00 0.00 C ATOM 0 H LEU A 26 14.021 -4.472 1.557 1.00 0.00 H new ATOM 0 HA LEU A 26 16.495 -3.986 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.888 -2.510 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.263 -1.660 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 26 14.057 -4.233 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.402 -2.837 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.660 -2.266 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.055 -1.402 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.613 -3.937 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.347 -2.543 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.480 -4.171 -1.464 1.00 0.00 H new ATOM 418 N GLU A 27 15.850 -2.044 2.965 1.00 0.00 N ATOM 419 CA GLU A 27 16.464 -1.141 3.934 1.00 0.00 C ATOM 420 C GLU A 27 17.084 -1.919 5.094 1.00 0.00 C ATOM 421 O GLU A 27 16.898 -1.569 6.259 1.00 0.00 O ATOM 422 CB GLU A 27 15.424 -0.152 4.467 1.00 0.00 C ATOM 423 CG GLU A 27 14.289 -0.815 5.228 1.00 0.00 C ATOM 424 CD GLU A 27 14.383 -0.597 6.727 1.00 0.00 C ATOM 425 OE1 GLU A 27 14.664 0.546 7.144 1.00 0.00 O ATOM 426 OE2 GLU A 27 14.177 -1.570 7.481 1.00 0.00 O ATOM 0 H GLU A 27 14.870 -2.260 3.150 1.00 0.00 H new ATOM 0 HA GLU A 27 17.257 -0.591 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.919 0.565 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.009 0.412 3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.338 -0.424 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.293 -1.885 5.020 1.00 0.00 H new ATOM 513 N GLN B 3 -18.175 2.550 4.040 1.00 0.00 N ATOM 514 CA GLN B 3 -17.055 2.908 4.903 1.00 0.00 C ATOM 515 C GLN B 3 -16.334 1.668 5.423 1.00 0.00 C ATOM 516 O GLN B 3 -15.108 1.646 5.523 1.00 0.00 O ATOM 517 CB GLN B 3 -17.532 3.774 6.074 1.00 0.00 C ATOM 518 CG GLN B 3 -18.635 3.139 6.906 1.00 0.00 C ATOM 519 CD GLN B 3 -20.022 3.532 6.437 1.00 0.00 C ATOM 520 OE1 GLN B 3 -20.417 4.694 6.536 1.00 0.00 O ATOM 521 NE2 GLN B 3 -20.771 2.563 5.923 1.00 0.00 N ATOM 0 HA GLN B 3 -16.348 3.483 4.305 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -16.682 3.991 6.721 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -17.888 4.728 5.685 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -18.536 2.054 6.866 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -18.512 3.432 7.949 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -20.404 1.614 5.860 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -21.713 2.768 5.591 1.00 0.00 H new ATOM 530 N ALA B 4 -17.091 0.628 5.748 1.00 0.00 N ATOM 531 CA ALA B 4 -16.497 -0.605 6.253 1.00 0.00 C ATOM 532 C ALA B 4 -15.374 -1.087 5.340 1.00 0.00 C ATOM 533 O ALA B 4 -14.428 -1.732 5.790 1.00 0.00 O ATOM 534 CB ALA B 4 -17.556 -1.681 6.406 1.00 0.00 C ATOM 0 H ALA B 4 -18.108 0.612 5.672 1.00 0.00 H new ATOM 0 HA ALA B 4 -16.068 -0.396 7.233 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -17.095 -2.594 6.784 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -18.319 -1.343 7.107 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -18.015 -1.880 5.438 1.00 0.00 H new ATOM 540 N LEU B 5 -15.483 -0.759 4.056 1.00 0.00 N ATOM 541 CA LEU B 5 -14.472 -1.149 3.080 1.00 0.00 C ATOM 542 C LEU B 5 -13.780 0.083 2.511 1.00 0.00 C ATOM 543 O LEU B 5 -12.570 0.093 2.285 1.00 0.00 O ATOM 544 CB LEU B 5 -15.114 -1.951 1.951 1.00 0.00 C ATOM 545 CG LEU B 5 -15.145 -3.464 2.165 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.749 -4.162 0.955 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.746 -3.992 2.442 1.00 0.00 C ATOM 0 H LEU B 5 -16.260 -0.225 3.668 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.729 -1.770 3.580 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -16.136 -1.599 1.812 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.576 -1.742 1.026 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.771 -3.676 3.032 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -15.763 -5.239 1.125 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.768 -3.806 0.800 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.150 -3.942 0.071 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.787 -5.071 2.592 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.098 -3.768 1.595 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.348 -3.516 3.338 1.00 0.00 H new ATOM 559 N LYS B 6 -14.573 1.114 2.288 1.00 0.00 N ATOM 560 CA LYS B 6 -14.097 2.376 1.749 1.00 0.00 C ATOM 561 C LYS B 6 -13.001 2.971 2.622 1.00 0.00 C ATOM 562 O LYS B 6 -12.099 3.649 2.129 1.00 0.00 O ATOM 563 CB LYS B 6 -15.278 3.342 1.646 1.00 0.00 C ATOM 564 CG LYS B 6 -14.881 4.801 1.463 1.00 0.00 C ATOM 565 CD LYS B 6 -15.693 5.473 0.365 1.00 0.00 C ATOM 566 CE LYS B 6 -16.207 6.835 0.804 1.00 0.00 C ATOM 567 NZ LYS B 6 -15.387 7.944 0.248 1.00 0.00 N ATOM 0 H LYS B 6 -15.575 1.100 2.477 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.669 2.203 0.762 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.906 3.041 0.808 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.885 3.253 2.547 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -15.024 5.337 2.401 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -13.820 4.862 1.220 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -15.077 5.586 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -16.535 4.836 0.092 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -17.242 6.953 0.483 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -16.202 6.891 1.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -15.771 8.855 0.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -14.404 7.847 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -15.412 7.907 -0.791 1.00 0.00 H new ATOM 581 N LYS B 7 -13.086 2.720 3.919 1.00 0.00 N ATOM 582 CA LYS B 7 -12.103 3.241 4.856 1.00 0.00 C ATOM 583 C LYS B 7 -10.951 2.258 5.029 1.00 0.00 C ATOM 584 O LYS B 7 -9.785 2.648 5.045 1.00 0.00 O ATOM 585 CB LYS B 7 -12.752 3.524 6.211 1.00 0.00 C ATOM 586 CG LYS B 7 -14.197 3.997 6.125 1.00 0.00 C ATOM 587 CD LYS B 7 -14.315 5.497 6.310 1.00 0.00 C ATOM 588 CE LYS B 7 -14.371 6.214 4.972 1.00 0.00 C ATOM 589 NZ LYS B 7 -13.657 7.520 5.010 1.00 0.00 N ATOM 0 H LYS B 7 -13.824 2.160 4.346 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.710 4.173 4.451 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.714 2.618 6.816 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -12.164 4.280 6.732 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.613 3.717 5.157 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -14.790 3.490 6.886 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.212 5.725 6.886 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -13.465 5.863 6.886 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -13.929 5.581 4.203 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -15.411 6.377 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -13.719 7.977 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -14.095 8.134 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -12.658 7.363 5.253 1.00 0.00 H new ATOM 603 N ARG B 8 -11.289 0.980 5.160 1.00 0.00 N ATOM 604 CA ARG B 8 -10.286 -0.067 5.335 1.00 0.00 C ATOM 605 C ARG B 8 -9.192 0.028 4.268 1.00 0.00 C ATOM 606 O ARG B 8 -8.058 -0.396 4.490 1.00 0.00 O ATOM 607 CB ARG B 8 -10.949 -1.451 5.304 1.00 0.00 C ATOM 608 CG ARG B 8 -11.179 -2.007 3.904 1.00 0.00 C ATOM 609 CD ARG B 8 -10.231 -3.156 3.592 1.00 0.00 C ATOM 610 NE ARG B 8 -10.948 -4.402 3.329 1.00 0.00 N ATOM 611 CZ ARG B 8 -11.399 -5.216 4.282 1.00 0.00 C ATOM 612 NH1 ARG B 8 -11.214 -4.919 5.562 1.00 0.00 N ATOM 613 NH2 ARG B 8 -12.038 -6.330 3.952 1.00 0.00 N ATOM 0 H ARG B 8 -12.251 0.642 5.148 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.816 0.076 6.308 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.327 -2.151 5.862 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.907 -1.393 5.821 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.209 -2.351 3.814 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -11.042 -1.213 3.170 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.622 -2.898 2.725 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.549 -3.300 4.430 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.113 -4.664 2.357 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.724 -4.063 5.821 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -11.562 -5.547 6.287 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -12.184 -6.563 2.970 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -12.384 -6.954 4.681 1.00 0.00 H new ATOM 627 N VAL B 9 -9.543 0.586 3.113 1.00 0.00 N ATOM 628 CA VAL B 9 -8.595 0.736 2.015 1.00 0.00 C ATOM 629 C VAL B 9 -7.430 1.637 2.413 1.00 0.00 C ATOM 630 O VAL B 9 -6.270 1.315 2.155 1.00 0.00 O ATOM 631 CB VAL B 9 -9.282 1.316 0.759 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.286 1.487 -0.381 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.441 0.429 0.329 1.00 0.00 C ATOM 0 H VAL B 9 -10.478 0.942 2.914 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.213 -0.259 1.784 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.674 2.301 1.012 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.797 1.897 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.493 2.168 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.855 0.519 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.914 0.852 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -10.069 -0.570 0.100 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.171 0.368 1.136 1.00 0.00 H new ATOM 643 N GLN B 10 -7.744 2.769 3.038 1.00 0.00 N ATOM 644 CA GLN B 10 -6.718 3.716 3.462 1.00 0.00 C ATOM 645 C GLN B 10 -5.617 3.019 4.258 1.00 0.00 C ATOM 646 O GLN B 10 -4.461 3.438 4.232 1.00 0.00 O ATOM 647 CB GLN B 10 -7.338 4.842 4.296 1.00 0.00 C ATOM 648 CG GLN B 10 -7.811 4.402 5.674 1.00 0.00 C ATOM 649 CD GLN B 10 -7.087 5.119 6.798 1.00 0.00 C ATOM 650 OE1 GLN B 10 -5.779 5.288 6.647 1.00 0.00 O flip ATOM 651 NE2 GLN B 10 -7.698 5.518 7.789 1.00 0.00 N flip ATOM 0 H GLN B 10 -8.698 3.052 3.261 1.00 0.00 H new ATOM 0 HA GLN B 10 -6.271 4.145 2.565 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.605 5.640 4.412 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.183 5.262 3.750 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.882 4.586 5.762 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.662 3.327 5.779 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -8.704 5.366 7.863 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -7.198 6.000 8.536 1.00 0.00 H new ATOM 660 N ALA B 11 -5.983 1.952 4.960 1.00 0.00 N ATOM 661 CA ALA B 11 -5.024 1.200 5.762 1.00 0.00 C ATOM 662 C ALA B 11 -3.994 0.487 4.886 1.00 0.00 C ATOM 663 O ALA B 11 -2.977 0.005 5.385 1.00 0.00 O ATOM 664 CB ALA B 11 -5.752 0.196 6.642 1.00 0.00 C ATOM 0 H ALA B 11 -6.936 1.588 4.990 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.488 1.909 6.393 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.027 -0.360 7.236 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.437 0.723 7.306 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.315 -0.496 6.016 1.00 0.00 H new ATOM 670 N LEU B 12 -4.259 0.418 3.584 1.00 0.00 N ATOM 671 CA LEU B 12 -3.348 -0.243 2.656 1.00 0.00 C ATOM 672 C LEU B 12 -2.472 0.777 1.932 1.00 0.00 C ATOM 673 O LEU B 12 -1.257 0.608 1.831 1.00 0.00 O ATOM 674 CB LEU B 12 -4.128 -1.069 1.626 1.00 0.00 C ATOM 675 CG LEU B 12 -5.466 -1.634 2.112 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.410 -1.845 0.940 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.256 -2.938 2.865 1.00 0.00 C ATOM 0 H LEU B 12 -5.094 0.810 3.150 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.709 -0.908 3.238 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.313 -0.446 0.751 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.500 -1.898 1.300 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.915 -0.912 2.794 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.356 -2.247 1.303 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.588 -0.893 0.440 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.964 -2.547 0.235 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.219 -3.323 3.202 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.784 -3.667 2.206 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.614 -2.761 3.728 1.00 0.00 H new ATOM 689 N LYS B 13 -3.103 1.830 1.420 1.00 0.00 N ATOM 690 CA LYS B 13 -2.390 2.874 0.691 1.00 0.00 C ATOM 691 C LYS B 13 -1.700 3.854 1.638 1.00 0.00 C ATOM 692 O LYS B 13 -0.733 4.515 1.258 1.00 0.00 O ATOM 693 CB LYS B 13 -3.349 3.625 -0.231 1.00 0.00 C ATOM 694 CG LYS B 13 -4.573 4.181 0.480 1.00 0.00 C ATOM 695 CD LYS B 13 -4.463 5.684 0.666 1.00 0.00 C ATOM 696 CE LYS B 13 -5.475 6.432 -0.188 1.00 0.00 C ATOM 697 NZ LYS B 13 -4.865 7.603 -0.874 1.00 0.00 N ATOM 0 H LYS B 13 -4.109 1.983 1.497 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.619 2.389 0.092 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.813 4.446 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.675 2.954 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.469 3.948 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.683 3.699 1.451 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.618 5.933 1.716 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.456 6.010 0.406 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -5.894 5.754 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.301 6.768 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.587 8.086 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.487 8.263 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.093 7.280 -1.492 1.00 0.00 H new ATOM 711 N ALA B 14 -2.195 3.950 2.869 1.00 0.00 N ATOM 712 CA ALA B 14 -1.613 4.856 3.855 1.00 0.00 C ATOM 713 C ALA B 14 -0.126 4.574 4.046 1.00 0.00 C ATOM 714 O ALA B 14 0.718 5.432 3.786 1.00 0.00 O ATOM 715 CB ALA B 14 -2.345 4.741 5.183 1.00 0.00 C ATOM 0 H ALA B 14 -2.994 3.414 3.207 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.723 5.874 3.482 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.897 5.423 5.905 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.395 4.998 5.043 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.268 3.719 5.554 1.00 0.00 H new ATOM 721 N ARG B 15 0.185 3.366 4.502 1.00 0.00 N ATOM 722 CA ARG B 15 1.569 2.968 4.728 1.00 0.00 C ATOM 723 C ARG B 15 2.271 2.673 3.407 1.00 0.00 C ATOM 724 O ARG B 15 3.447 2.994 3.234 1.00 0.00 O ATOM 725 CB ARG B 15 1.626 1.737 5.636 1.00 0.00 C ATOM 726 CG ARG B 15 3.039 1.300 5.983 1.00 0.00 C ATOM 727 CD ARG B 15 3.509 1.914 7.292 1.00 0.00 C ATOM 728 NE ARG B 15 4.179 0.936 8.146 1.00 0.00 N ATOM 729 CZ ARG B 15 4.756 1.239 9.306 1.00 0.00 C ATOM 730 NH1 ARG B 15 4.749 2.487 9.755 1.00 0.00 N ATOM 731 NH2 ARG B 15 5.343 0.288 10.021 1.00 0.00 N ATOM 0 H ARG B 15 -0.503 2.646 4.722 1.00 0.00 H new ATOM 0 HA ARG B 15 2.084 3.795 5.217 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.084 1.951 6.558 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.109 0.911 5.147 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.077 0.213 6.056 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.717 1.589 5.180 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.190 2.739 7.082 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.655 2.334 7.823 1.00 0.00 H new ATOM 0 HE ARG B 15 4.206 -0.035 7.835 1.00 0.00 H new ATOM 0 HH11 ARG B 15 4.299 3.223 9.210 1.00 0.00 H new ATOM 0 HH12 ARG B 15 5.193 2.711 10.645 1.00 0.00 H new ATOM 0 HH21 ARG B 15 5.352 -0.674 9.681 1.00 0.00 H new ATOM 0 HH22 ARG B 15 5.786 0.519 10.910 1.00 0.00 H new ATOM 745 N ASN B 16 1.540 2.062 2.479 1.00 0.00 N ATOM 746 CA ASN B 16 2.090 1.721 1.172 1.00 0.00 C ATOM 747 C ASN B 16 2.576 2.970 0.442 1.00 0.00 C ATOM 748 O ASN B 16 3.639 2.963 -0.180 1.00 0.00 O ATOM 749 CB ASN B 16 1.038 0.995 0.331 1.00 0.00 C ATOM 750 CG ASN B 16 1.509 0.716 -1.085 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.700 0.796 -1.383 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.571 0.388 -1.966 1.00 0.00 N ATOM 0 H ASN B 16 0.565 1.793 2.609 1.00 0.00 H new ATOM 0 HA ASN B 16 2.944 1.060 1.323 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.778 0.054 0.815 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.129 1.596 0.295 1.00 0.00 H new ATOM 0 HD21 ASN B 16 0.827 0.191 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.405 0.333 -1.675 1.00 0.00 H new ATOM 759 N TYR B 17 1.792 4.042 0.519 1.00 0.00 N ATOM 760 CA TYR B 17 2.147 5.296 -0.137 1.00 0.00 C ATOM 761 C TYR B 17 3.551 5.741 0.264 1.00 0.00 C ATOM 762 O TYR B 17 4.322 6.221 -0.568 1.00 0.00 O ATOM 763 CB TYR B 17 1.133 6.389 0.214 1.00 0.00 C ATOM 764 CG TYR B 17 1.495 7.751 -0.336 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.514 7.985 -1.705 1.00 0.00 C ATOM 766 CD2 TYR B 17 1.820 8.800 0.514 1.00 0.00 C ATOM 767 CE1 TYR B 17 1.848 9.226 -2.212 1.00 0.00 C ATOM 768 CE2 TYR B 17 2.155 10.044 0.015 1.00 0.00 C ATOM 769 CZ TYR B 17 2.167 10.252 -1.348 1.00 0.00 C ATOM 770 OH TYR B 17 2.500 11.490 -1.849 1.00 0.00 O ATOM 0 H TYR B 17 0.909 4.067 1.028 1.00 0.00 H new ATOM 0 HA TYR B 17 2.130 5.129 -1.214 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.154 6.101 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.045 6.456 1.298 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.264 7.184 -2.384 1.00 0.00 H new ATOM 0 HD2 TYR B 17 1.811 8.641 1.582 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.859 9.392 -3.279 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.406 10.849 0.689 1.00 0.00 H new ATOM 0 HH TYR B 17 2.696 12.101 -1.108 1.00 0.00 H new ATOM 780 N ALA B 18 3.877 5.577 1.541 1.00 0.00 N ATOM 781 CA ALA B 18 5.187 5.962 2.048 1.00 0.00 C ATOM 782 C ALA B 18 6.281 5.075 1.468 1.00 0.00 C ATOM 783 O ALA B 18 7.323 5.568 1.035 1.00 0.00 O ATOM 784 CB ALA B 18 5.205 5.903 3.568 1.00 0.00 C ATOM 0 H ALA B 18 3.252 5.180 2.243 1.00 0.00 H new ATOM 0 HA ALA B 18 5.383 6.987 1.735 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.191 6.193 3.932 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.455 6.586 3.968 1.00 0.00 H new ATOM 0 HB3 ALA B 18 4.982 4.887 3.895 1.00 0.00 H new ATOM 790 N LEU B 19 6.043 3.767 1.453 1.00 0.00 N ATOM 791 CA LEU B 19 7.022 2.832 0.912 1.00 0.00 C ATOM 792 C LEU B 19 7.234 3.101 -0.570 1.00 0.00 C ATOM 793 O LEU B 19 8.350 3.352 -1.009 1.00 0.00 O ATOM 794 CB LEU B 19 6.583 1.377 1.114 1.00 0.00 C ATOM 795 CG LEU B 19 5.714 1.110 2.346 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.531 -0.385 2.554 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.328 1.749 3.584 1.00 0.00 C ATOM 0 H LEU B 19 5.189 3.334 1.806 1.00 0.00 H new ATOM 0 HA LEU B 19 7.958 2.982 1.451 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.034 1.056 0.229 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.475 0.754 1.179 1.00 0.00 H new ATOM 0 HG LEU B 19 4.735 1.558 2.179 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.911 -0.557 3.434 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.047 -0.818 1.679 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.504 -0.854 2.699 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.696 1.548 4.449 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.320 1.331 3.755 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.408 2.826 3.436 1.00 0.00 H new ATOM 809 N LYS B 20 6.147 3.058 -1.339 1.00 0.00 N ATOM 810 CA LYS B 20 6.204 3.303 -2.780 1.00 0.00 C ATOM 811 C LYS B 20 7.150 4.455 -3.118 1.00 0.00 C ATOM 812 O LYS B 20 7.754 4.481 -4.190 1.00 0.00 O ATOM 813 CB LYS B 20 4.804 3.615 -3.313 1.00 0.00 C ATOM 814 CG LYS B 20 4.512 2.986 -4.666 1.00 0.00 C ATOM 815 CD LYS B 20 3.476 3.787 -5.440 1.00 0.00 C ATOM 816 CE LYS B 20 2.471 2.879 -6.130 1.00 0.00 C ATOM 817 NZ LYS B 20 1.827 3.547 -7.294 1.00 0.00 N ATOM 0 H LYS B 20 5.212 2.855 -0.986 1.00 0.00 H new ATOM 0 HA LYS B 20 6.587 2.400 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.064 3.266 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.687 4.696 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS B 20 5.433 2.923 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS B 20 4.154 1.966 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.953 4.460 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.976 4.409 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.972 1.971 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.705 2.576 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.149 2.895 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.327 4.400 -6.972 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.555 3.813 -7.988 1.00 0.00 H new ATOM 831 N GLN B 21 7.267 5.407 -2.198 1.00 0.00 N ATOM 832 CA GLN B 21 8.131 6.563 -2.399 1.00 0.00 C ATOM 833 C GLN B 21 9.587 6.246 -2.050 1.00 0.00 C ATOM 834 O GLN B 21 10.506 6.682 -2.745 1.00 0.00 O ATOM 835 CB GLN B 21 7.634 7.741 -1.554 1.00 0.00 C ATOM 836 CG GLN B 21 8.525 8.971 -1.632 1.00 0.00 C ATOM 837 CD GLN B 21 7.951 10.155 -0.879 1.00 0.00 C ATOM 838 OE1 GLN B 21 7.222 9.991 0.099 1.00 0.00 O ATOM 839 NE2 GLN B 21 8.278 11.359 -1.334 1.00 0.00 N ATOM 0 H GLN B 21 6.774 5.400 -1.305 1.00 0.00 H new ATOM 0 HA GLN B 21 8.092 6.830 -3.455 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.629 8.011 -1.879 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.559 7.424 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.508 8.729 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.669 9.245 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.886 11.449 -2.148 1.00 0.00 H new ATOM 0 HE22 GLN B 21 7.922 12.194 -0.869 1.00 0.00 H new ATOM 848 N LYS B 22 9.795 5.500 -0.968 1.00 0.00 N ATOM 849 CA LYS B 22 11.145 5.149 -0.527 1.00 0.00 C ATOM 850 C LYS B 22 11.630 3.835 -1.143 1.00 0.00 C ATOM 851 O LYS B 22 12.827 3.659 -1.369 1.00 0.00 O ATOM 852 CB LYS B 22 11.193 5.052 0.999 1.00 0.00 C ATOM 853 CG LYS B 22 10.198 4.059 1.577 1.00 0.00 C ATOM 854 CD LYS B 22 10.880 3.028 2.463 1.00 0.00 C ATOM 855 CE LYS B 22 11.590 3.684 3.636 1.00 0.00 C ATOM 856 NZ LYS B 22 10.628 4.232 4.633 1.00 0.00 N ATOM 0 H LYS B 22 9.049 5.127 -0.381 1.00 0.00 H new ATOM 0 HA LYS B 22 11.812 5.941 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.199 4.765 1.305 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.999 6.037 1.424 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.445 4.594 2.155 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.676 3.552 0.765 1.00 0.00 H new ATOM 0 HD2 LYS B 22 10.140 2.319 2.835 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.599 2.459 1.874 1.00 0.00 H new ATOM 0 HE2 LYS B 22 12.239 2.955 4.121 1.00 0.00 H new ATOM 0 HE3 LYS B 22 12.230 4.487 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 11.152 4.641 5.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 10.048 4.970 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 10.012 3.468 4.977 1.00 0.00 H new ATOM 870 N VAL B 23 10.702 2.914 -1.397 1.00 0.00 N ATOM 871 CA VAL B 23 11.036 1.609 -1.974 1.00 0.00 C ATOM 872 C VAL B 23 12.099 1.731 -3.065 1.00 0.00 C ATOM 873 O VAL B 23 13.189 1.169 -2.948 1.00 0.00 O ATOM 874 CB VAL B 23 9.792 0.909 -2.561 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.171 -0.418 -3.202 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.737 0.699 -1.484 1.00 0.00 C ATOM 0 H VAL B 23 9.708 3.047 -1.212 1.00 0.00 H new ATOM 0 HA VAL B 23 11.431 1.006 -1.156 1.00 0.00 H new ATOM 0 HB VAL B 23 9.373 1.554 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.279 -0.894 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.887 -0.243 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.619 -1.070 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL B 23 7.868 0.204 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.148 0.078 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.438 1.664 -1.074 1.00 0.00 H new ATOM 886 N GLN B 24 11.775 2.465 -4.124 1.00 0.00 N ATOM 887 CA GLN B 24 12.704 2.657 -5.233 1.00 0.00 C ATOM 888 C GLN B 24 14.007 3.287 -4.750 1.00 0.00 C ATOM 889 O GLN B 24 15.068 3.064 -5.331 1.00 0.00 O ATOM 890 CB GLN B 24 12.070 3.534 -6.313 1.00 0.00 C ATOM 891 CG GLN B 24 11.626 4.898 -5.809 1.00 0.00 C ATOM 892 CD GLN B 24 11.738 5.975 -6.871 1.00 0.00 C ATOM 893 OE1 GLN B 24 12.763 6.647 -6.984 1.00 0.00 O ATOM 894 NE2 GLN B 24 10.679 6.145 -7.655 1.00 0.00 N ATOM 0 H GLN B 24 10.878 2.936 -4.238 1.00 0.00 H new ATOM 0 HA GLN B 24 12.930 1.678 -5.657 1.00 0.00 H new ATOM 0 HB2 GLN B 24 12.786 3.671 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN B 24 11.209 3.013 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN B 24 10.593 4.836 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN B 24 12.232 5.178 -4.947 1.00 0.00 H new ATOM 0 HE21 GLN B 24 9.850 5.565 -7.525 1.00 0.00 H new ATOM 0 HE22 GLN B 24 10.695 6.856 -8.387 1.00 0.00 H new ATOM 903 N ALA B 25 13.919 4.074 -3.682 1.00 0.00 N ATOM 904 CA ALA B 25 15.090 4.736 -3.121 1.00 0.00 C ATOM 905 C ALA B 25 15.995 3.741 -2.401 1.00 0.00 C ATOM 906 O ALA B 25 17.207 3.941 -2.314 1.00 0.00 O ATOM 907 CB ALA B 25 14.665 5.846 -2.173 1.00 0.00 C ATOM 0 H ALA B 25 13.048 4.268 -3.188 1.00 0.00 H new ATOM 0 HA ALA B 25 15.657 5.172 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.550 6.332 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA B 25 14.068 6.579 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.072 5.424 -1.361 1.00 0.00 H new ATOM 913 N LEU B 26 15.400 2.670 -1.884 1.00 0.00 N ATOM 914 CA LEU B 26 16.156 1.647 -1.170 1.00 0.00 C ATOM 915 C LEU B 26 16.878 0.719 -2.143 1.00 0.00 C ATOM 916 O LEU B 26 18.103 0.605 -2.115 1.00 0.00 O ATOM 917 CB LEU B 26 15.228 0.831 -0.266 1.00 0.00 C ATOM 918 CG LEU B 26 14.382 1.652 0.711 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.326 0.775 1.365 1.00 0.00 C ATOM 920 CD2 LEU B 26 15.267 2.299 1.766 1.00 0.00 C ATOM 0 H LEU B 26 14.398 2.488 -1.946 1.00 0.00 H new ATOM 0 HA LEU B 26 16.902 2.151 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.560 0.243 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.832 0.125 0.305 1.00 0.00 H new ATOM 0 HG LEU B 26 13.877 2.441 0.154 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.733 1.374 2.057 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.675 0.356 0.598 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.812 -0.034 1.910 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.650 2.879 2.453 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.798 1.525 2.320 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.988 2.957 1.282 1.00 0.00 H new ATOM 932 N ARG B 27 16.108 0.053 -2.999 1.00 0.00 N ATOM 933 CA ARG B 27 16.670 -0.873 -3.981 1.00 0.00 C ATOM 934 C ARG B 27 17.789 -0.220 -4.789 1.00 0.00 C ATOM 935 O ARG B 27 18.904 -0.740 -4.850 1.00 0.00 O ATOM 936 CB ARG B 27 15.576 -1.385 -4.921 1.00 0.00 C ATOM 937 CG ARG B 27 14.665 -0.293 -5.461 1.00 0.00 C ATOM 938 CD ARG B 27 13.220 -0.761 -5.540 1.00 0.00 C ATOM 939 NE ARG B 27 12.608 -0.435 -6.827 1.00 0.00 N ATOM 940 CZ ARG B 27 11.508 -1.018 -7.294 1.00 0.00 C ATOM 941 NH1 ARG B 27 10.891 -1.955 -6.583 1.00 0.00 N ATOM 942 NH2 ARG B 27 11.020 -0.663 -8.475 1.00 0.00 N ATOM 0 H ARG B 27 15.092 0.137 -3.033 1.00 0.00 H new ATOM 0 HA ARG B 27 17.095 -1.715 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG B 27 16.044 -1.902 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG B 27 14.971 -2.120 -4.391 1.00 0.00 H new ATOM 0 HG2 ARG B 27 14.729 0.586 -4.820 1.00 0.00 H new ATOM 0 HG3 ARG B 27 15.005 0.009 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG B 27 13.179 -1.839 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG B 27 12.645 -0.299 -4.738 1.00 0.00 H new ATOM 0 HE ARG B 27 13.051 0.282 -7.401 1.00 0.00 H new ATOM 0 HH11 ARG B 27 11.261 -2.231 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG B 27 10.048 -2.398 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG B 27 11.489 0.057 -9.025 1.00 0.00 H new ATOM 0 HH22 ARG B 27 10.176 -1.110 -8.833 1.00 0.00 H new