USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 438 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 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 178:sc= 1.28 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.549 K(o=0.55,f=-0.0046) USER MOD Single : A 21 LYS NZ :NH3+ -140:sc= 0.287 (180deg=-0.602) USER MOD Single : A 29 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.3!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.524 USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 42 ASN : amide:sc= -2.6 K(o=-2.6,f=-11!) USER MOD Single : A 43 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 128:sc= 1.64 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -1.744 11.226 5.072 1.00 0.00 N ATOM 21 CA ARG A 2 -2.329 9.907 5.285 1.00 0.00 C ATOM 22 C ARG A 2 -1.490 8.824 4.613 1.00 0.00 C ATOM 23 O ARG A 2 -1.566 8.629 3.400 1.00 0.00 O ATOM 24 CB ARG A 2 -3.762 9.869 4.748 1.00 0.00 C ATOM 25 CG ARG A 2 -4.759 9.254 5.719 1.00 0.00 C ATOM 26 CD ARG A 2 -5.690 8.271 5.025 1.00 0.00 C ATOM 27 NE ARG A 2 -7.083 8.707 5.075 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.604 9.619 4.257 1.00 0.00 C ATOM 29 NH1 ARG A 2 -6.852 10.195 3.328 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.882 9.956 4.369 1.00 0.00 N ATOM 0 HA ARG A 2 -2.346 9.713 6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.079 10.884 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.777 9.303 3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.221 8.743 6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.347 10.044 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.384 8.154 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.600 7.292 5.496 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.692 8.288 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.869 9.940 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.257 10.893 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.465 9.516 5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.282 10.655 3.743 1.00 0.00 H new ATOM 44 N GLN A 3 -0.690 8.123 5.410 1.00 0.00 N ATOM 45 CA GLN A 3 0.164 7.060 4.892 1.00 0.00 C ATOM 46 C GLN A 3 -0.037 5.770 5.681 1.00 0.00 C ATOM 47 O GLN A 3 -0.484 5.795 6.828 1.00 0.00 O ATOM 48 CB GLN A 3 1.633 7.483 4.950 1.00 0.00 C ATOM 49 CG GLN A 3 1.910 8.814 4.270 1.00 0.00 C ATOM 50 CD GLN A 3 3.172 9.479 4.784 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.280 8.992 4.559 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.009 10.598 5.480 1.00 0.00 N ATOM 0 H GLN A 3 -0.615 8.272 6.416 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.113 6.878 3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.943 7.546 5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.244 6.711 4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.998 8.657 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.062 9.481 4.426 1.00 0.00 H new ATOM 0 HE21 GLN A 3 2.072 10.966 5.642 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.821 11.090 5.852 1.00 0.00 H new ATOM 61 N CYS A 4 0.298 4.644 5.059 1.00 0.00 N ATOM 62 CA CYS A 4 0.154 3.343 5.705 1.00 0.00 C ATOM 63 C CYS A 4 1.265 2.395 5.268 1.00 0.00 C ATOM 64 O CYS A 4 1.662 2.386 4.103 1.00 0.00 O ATOM 65 CB CYS A 4 -1.212 2.736 5.376 1.00 0.00 C ATOM 66 SG CYS A 4 -2.595 3.887 5.557 1.00 0.00 S ATOM 0 H CYS A 4 0.670 4.606 4.110 1.00 0.00 H new ATOM 0 HA CYS A 4 0.228 3.488 6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.195 2.364 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.381 1.877 6.025 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.705 3.282 5.255 1.00 0.00 H new ATOM 72 N LYS A 5 1.765 1.597 6.208 1.00 0.00 N ATOM 73 CA LYS A 5 2.834 0.651 5.909 1.00 0.00 C ATOM 74 C LYS A 5 2.379 -0.792 6.124 1.00 0.00 C ATOM 75 O LYS A 5 1.898 -1.156 7.194 1.00 0.00 O ATOM 76 CB LYS A 5 4.053 0.951 6.785 1.00 0.00 C ATOM 77 CG LYS A 5 5.209 -0.018 6.585 1.00 0.00 C ATOM 78 CD LYS A 5 5.793 -0.472 7.914 1.00 0.00 C ATOM 79 CE LYS A 5 5.339 -1.878 8.273 1.00 0.00 C ATOM 80 NZ LYS A 5 5.566 -2.184 9.713 1.00 0.00 N ATOM 0 H LYS A 5 1.449 1.587 7.178 1.00 0.00 H new ATOM 0 HA LYS A 5 3.102 0.765 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.399 1.963 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.750 0.929 7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.864 -0.886 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.987 0.460 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.881 -0.442 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.492 0.220 8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.280 -1.988 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.876 -2.601 7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.243 -3.151 9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.580 -2.104 9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.033 -1.510 10.299 1.00 0.00 H new ATOM 94 N VAL A 6 2.551 -1.603 5.089 1.00 0.00 N ATOM 95 CA VAL A 6 2.181 -3.014 5.120 1.00 0.00 C ATOM 96 C VAL A 6 2.983 -3.779 6.171 1.00 0.00 C ATOM 97 O VAL A 6 4.162 -3.502 6.387 1.00 0.00 O ATOM 98 CB VAL A 6 2.412 -3.680 3.748 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.814 -5.076 3.724 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.839 -2.829 2.623 1.00 0.00 C ATOM 0 H VAL A 6 2.952 -1.301 4.201 1.00 0.00 H new ATOM 0 HA VAL A 6 1.122 -3.053 5.374 1.00 0.00 H new ATOM 0 HB VAL A 6 3.487 -3.764 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.987 -5.529 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.283 -5.686 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.742 -5.016 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.016 -3.322 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.767 -2.702 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.323 -1.853 2.622 1.00 0.00 H new ATOM 110 N LEU A 7 2.336 -4.746 6.816 1.00 0.00 N ATOM 111 CA LEU A 7 2.993 -5.555 7.839 1.00 0.00 C ATOM 112 C LEU A 7 3.548 -6.846 7.241 1.00 0.00 C ATOM 113 O LEU A 7 4.576 -7.356 7.687 1.00 0.00 O ATOM 114 CB LEU A 7 2.017 -5.888 8.968 1.00 0.00 C ATOM 115 CG LEU A 7 1.135 -4.727 9.426 1.00 0.00 C ATOM 116 CD1 LEU A 7 -0.116 -5.248 10.120 1.00 0.00 C ATOM 117 CD2 LEU A 7 1.913 -3.799 10.347 1.00 0.00 C ATOM 0 H LEU A 7 1.359 -4.988 6.649 1.00 0.00 H new ATOM 0 HA LEU A 7 3.821 -4.973 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.374 -6.706 8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.586 -6.251 9.824 1.00 0.00 H new ATOM 0 HG LEU A 7 0.827 -4.160 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.732 -4.407 10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.683 -5.871 9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.170 -5.839 10.990 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.270 -2.978 10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.250 -4.354 11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.777 -3.399 9.816 1.00 0.00 H new ATOM 129 N PHE A 8 2.859 -7.372 6.233 1.00 0.00 N ATOM 130 CA PHE A 8 3.281 -8.606 5.577 1.00 0.00 C ATOM 131 C PHE A 8 3.679 -8.345 4.127 1.00 0.00 C ATOM 132 O PHE A 8 3.606 -7.215 3.646 1.00 0.00 O ATOM 133 CB PHE A 8 2.158 -9.645 5.634 1.00 0.00 C ATOM 134 CG PHE A 8 2.508 -10.864 6.439 1.00 0.00 C ATOM 135 CD1 PHE A 8 3.037 -10.740 7.714 1.00 0.00 C ATOM 136 CD2 PHE A 8 2.308 -12.134 5.921 1.00 0.00 C ATOM 137 CE1 PHE A 8 3.359 -11.860 8.457 1.00 0.00 C ATOM 138 CE2 PHE A 8 2.628 -13.257 6.660 1.00 0.00 C ATOM 139 CZ PHE A 8 3.154 -13.120 7.929 1.00 0.00 C ATOM 0 H PHE A 8 2.006 -6.963 5.852 1.00 0.00 H new ATOM 0 HA PHE A 8 4.152 -8.992 6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.267 -9.182 6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.905 -9.950 4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.199 -9.757 8.132 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.897 -12.247 4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.771 -11.750 9.449 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.467 -14.241 6.245 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.405 -13.996 8.508 1.00 0.00 H new ATOM 149 N GLU A 9 4.105 -9.399 3.436 1.00 0.00 N ATOM 150 CA GLU A 9 4.519 -9.282 2.042 1.00 0.00 C ATOM 151 C GLU A 9 3.407 -9.735 1.100 1.00 0.00 C ATOM 152 O GLU A 9 2.445 -10.377 1.521 1.00 0.00 O ATOM 153 CB GLU A 9 5.785 -10.108 1.796 1.00 0.00 C ATOM 154 CG GLU A 9 6.947 -9.292 1.254 1.00 0.00 C ATOM 155 CD GLU A 9 8.285 -9.973 1.465 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.794 -9.941 2.605 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.825 -10.537 0.490 1.00 0.00 O ATOM 0 H GLU A 9 4.172 -10.342 3.819 1.00 0.00 H new ATOM 0 HA GLU A 9 4.732 -8.233 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.088 -10.580 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.555 -10.909 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.797 -9.116 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.959 -8.316 1.740 1.00 0.00 H new ATOM 164 N TYR A 10 3.548 -9.396 -0.179 1.00 0.00 N ATOM 165 CA TYR A 10 2.558 -9.767 -1.184 1.00 0.00 C ATOM 166 C TYR A 10 3.233 -10.113 -2.508 1.00 0.00 C ATOM 167 O TYR A 10 4.227 -9.496 -2.889 1.00 0.00 O ATOM 168 CB TYR A 10 1.558 -8.627 -1.392 1.00 0.00 C ATOM 169 CG TYR A 10 0.520 -8.913 -2.456 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.260 -10.061 -2.401 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.322 -8.035 -3.515 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.208 -10.327 -3.371 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.624 -8.294 -4.488 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.386 -9.440 -4.412 1.00 0.00 C ATOM 175 OH TYR A 10 -2.329 -9.701 -5.379 1.00 0.00 O ATOM 0 H TYR A 10 4.339 -8.865 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 10 2.025 -10.647 -0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.051 -8.424 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.103 -7.723 -1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.123 -10.757 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.917 -7.136 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.806 -11.224 -3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.766 -7.602 -5.305 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.351 -8.962 -6.023 1.00 0.00 H new ATOM 185 N ILE A 11 2.683 -11.101 -3.207 1.00 0.00 N ATOM 186 CA ILE A 11 3.230 -11.525 -4.490 1.00 0.00 C ATOM 187 C ILE A 11 2.283 -11.166 -5.634 1.00 0.00 C ATOM 188 O ILE A 11 1.238 -11.794 -5.801 1.00 0.00 O ATOM 189 CB ILE A 11 3.492 -13.043 -4.515 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.276 -13.469 -3.273 1.00 0.00 C ATOM 191 CG2 ILE A 11 4.242 -13.429 -5.781 1.00 0.00 C ATOM 192 CD1 ILE A 11 5.657 -12.855 -3.190 1.00 0.00 C ATOM 0 H ILE A 11 1.859 -11.622 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 11 4.175 -10.999 -4.622 1.00 0.00 H new ATOM 0 HB ILE A 11 2.534 -13.562 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.710 -13.192 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.369 -14.555 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.420 -14.504 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.648 -13.156 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.196 -12.903 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.155 -13.201 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.240 -13.152 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.571 -11.769 -3.164 1.00 0.00 H new ATOM 204 N PRO A 12 2.635 -10.147 -6.439 1.00 0.00 N ATOM 205 CA PRO A 12 1.807 -9.713 -7.565 1.00 0.00 C ATOM 206 C PRO A 12 1.956 -10.621 -8.781 1.00 0.00 C ATOM 207 O PRO A 12 2.957 -11.323 -8.926 1.00 0.00 O ATOM 208 CB PRO A 12 2.348 -8.319 -7.870 1.00 0.00 C ATOM 209 CG PRO A 12 3.785 -8.384 -7.480 1.00 0.00 C ATOM 210 CD PRO A 12 3.862 -9.335 -6.314 1.00 0.00 C ATOM 0 HA PRO A 12 0.744 -9.735 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.234 -8.071 -8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.817 -7.554 -7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.398 -8.735 -8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.158 -7.398 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.758 -9.954 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.893 -8.801 -5.364 1.00 0.00 H new ATOM 218 N GLN A 13 0.954 -10.601 -9.654 1.00 0.00 N ATOM 219 CA GLN A 13 0.974 -11.420 -10.860 1.00 0.00 C ATOM 220 C GLN A 13 0.591 -10.594 -12.087 1.00 0.00 C ATOM 221 O GLN A 13 0.138 -11.136 -13.095 1.00 0.00 O ATOM 222 CB GLN A 13 0.021 -12.610 -10.710 1.00 0.00 C ATOM 223 CG GLN A 13 0.731 -13.926 -10.437 1.00 0.00 C ATOM 224 CD GLN A 13 0.291 -15.033 -11.376 1.00 0.00 C ATOM 225 OE1 GLN A 13 -0.781 -15.614 -11.209 1.00 0.00 O ATOM 226 NE2 GLN A 13 1.121 -15.332 -12.369 1.00 0.00 N ATOM 0 H GLN A 13 0.118 -10.026 -9.548 1.00 0.00 H new ATOM 0 HA GLN A 13 1.989 -11.793 -11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.676 -12.407 -9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.571 -12.708 -11.620 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.807 -13.780 -10.532 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.540 -14.231 -9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.000 -14.824 -12.470 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.879 -16.069 -13.031 1.00 0.00 H new ATOM 235 N ASN A 14 0.776 -9.280 -11.993 1.00 0.00 N ATOM 236 CA ASN A 14 0.452 -8.381 -13.094 1.00 0.00 C ATOM 237 C ASN A 14 1.170 -7.045 -12.931 1.00 0.00 C ATOM 238 O ASN A 14 1.497 -6.637 -11.816 1.00 0.00 O ATOM 239 CB ASN A 14 -1.061 -8.159 -13.171 1.00 0.00 C ATOM 240 CG ASN A 14 -1.614 -8.411 -14.560 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.253 -7.542 -15.153 1.00 0.00 O ATOM 242 ND2 ASN A 14 -1.369 -9.605 -15.087 1.00 0.00 N ATOM 0 H ASN A 14 1.149 -8.815 -11.165 1.00 0.00 H new ATOM 0 HA ASN A 14 0.789 -8.843 -14.022 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.559 -8.819 -12.460 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.291 -7.136 -12.872 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.715 -9.832 -16.019 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.835 -10.295 -14.559 1.00 0.00 H new ATOM 249 N GLU A 15 1.413 -6.368 -14.048 1.00 0.00 N ATOM 250 CA GLU A 15 2.092 -5.078 -14.026 1.00 0.00 C ATOM 251 C GLU A 15 1.282 -4.049 -13.243 1.00 0.00 C ATOM 252 O GLU A 15 1.840 -3.132 -12.641 1.00 0.00 O ATOM 253 CB GLU A 15 2.333 -4.581 -15.455 1.00 0.00 C ATOM 254 CG GLU A 15 3.796 -4.308 -15.764 1.00 0.00 C ATOM 255 CD GLU A 15 4.547 -5.558 -16.178 1.00 0.00 C ATOM 256 OE1 GLU A 15 4.189 -6.148 -17.220 1.00 0.00 O ATOM 257 OE2 GLU A 15 5.492 -5.948 -15.462 1.00 0.00 O ATOM 0 H GLU A 15 1.150 -6.691 -14.979 1.00 0.00 H new ATOM 0 HA GLU A 15 3.053 -5.209 -13.528 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.954 -5.323 -16.158 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.760 -3.668 -15.615 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.863 -3.567 -16.561 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.275 -3.875 -14.885 1.00 0.00 H new ATOM 264 N ASP A 16 -0.038 -4.209 -13.255 1.00 0.00 N ATOM 265 CA ASP A 16 -0.926 -3.294 -12.546 1.00 0.00 C ATOM 266 C ASP A 16 -0.851 -3.506 -11.034 1.00 0.00 C ATOM 267 O ASP A 16 -1.312 -2.668 -10.259 1.00 0.00 O ATOM 268 CB ASP A 16 -2.367 -3.477 -13.027 1.00 0.00 C ATOM 269 CG ASP A 16 -3.090 -2.156 -13.202 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.955 -1.284 -12.318 1.00 0.00 O ATOM 271 OD2 ASP A 16 -3.791 -1.993 -14.222 1.00 0.00 O ATOM 0 H ASP A 16 -0.516 -4.963 -13.748 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.600 -2.277 -12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.365 -4.015 -13.975 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.911 -4.094 -12.311 1.00 0.00 H new ATOM 276 N GLU A 17 -0.271 -4.630 -10.619 1.00 0.00 N ATOM 277 CA GLU A 17 -0.143 -4.943 -9.200 1.00 0.00 C ATOM 278 C GLU A 17 1.250 -4.596 -8.688 1.00 0.00 C ATOM 279 O GLU A 17 2.254 -4.914 -9.325 1.00 0.00 O ATOM 280 CB GLU A 17 -0.435 -6.424 -8.957 1.00 0.00 C ATOM 281 CG GLU A 17 -1.888 -6.803 -9.193 1.00 0.00 C ATOM 282 CD GLU A 17 -2.239 -8.161 -8.616 1.00 0.00 C ATOM 283 OE1 GLU A 17 -1.670 -8.524 -7.566 1.00 0.00 O ATOM 284 OE2 GLU A 17 -3.083 -8.860 -9.215 1.00 0.00 O ATOM 0 H GLU A 17 0.116 -5.337 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.869 -4.341 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.199 -7.023 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.164 -6.676 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.534 -6.046 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.090 -6.805 -10.264 1.00 0.00 H new ATOM 291 N LEU A 18 1.302 -3.941 -7.532 1.00 0.00 N ATOM 292 CA LEU A 18 2.572 -3.550 -6.931 1.00 0.00 C ATOM 293 C LEU A 18 2.997 -4.553 -5.864 1.00 0.00 C ATOM 294 O LEU A 18 2.179 -5.325 -5.363 1.00 0.00 O ATOM 295 CB LEU A 18 2.460 -2.152 -6.320 1.00 0.00 C ATOM 296 CG LEU A 18 3.684 -1.256 -6.522 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.257 0.186 -6.754 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.618 -1.352 -5.324 1.00 0.00 C ATOM 0 H LEU A 18 0.479 -3.670 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 18 3.330 -3.536 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.590 -1.654 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.276 -2.253 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 18 4.222 -1.601 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.140 0.809 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.628 0.241 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.696 0.543 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.483 -0.709 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.091 -1.033 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.950 -2.383 -5.203 1.00 0.00 H new ATOM 310 N GLU A 19 4.280 -4.538 -5.522 1.00 0.00 N ATOM 311 CA GLU A 19 4.811 -5.447 -4.514 1.00 0.00 C ATOM 312 C GLU A 19 4.905 -4.761 -3.156 1.00 0.00 C ATOM 313 O GLU A 19 5.769 -3.911 -2.937 1.00 0.00 O ATOM 314 CB GLU A 19 6.189 -5.959 -4.936 1.00 0.00 C ATOM 315 CG GLU A 19 6.447 -7.406 -4.549 1.00 0.00 C ATOM 316 CD GLU A 19 6.971 -7.545 -3.133 1.00 0.00 C ATOM 317 OE1 GLU A 19 6.491 -6.809 -2.246 1.00 0.00 O ATOM 318 OE2 GLU A 19 7.863 -8.391 -2.911 1.00 0.00 O ATOM 0 H GLU A 19 4.971 -3.907 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 19 4.127 -6.291 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.289 -5.858 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.955 -5.329 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.523 -7.975 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.166 -7.842 -5.243 1.00 0.00 H new ATOM 325 N LEU A 20 4.013 -5.136 -2.245 1.00 0.00 N ATOM 326 CA LEU A 20 4.000 -4.558 -0.907 1.00 0.00 C ATOM 327 C LEU A 20 5.170 -5.081 -0.081 1.00 0.00 C ATOM 328 O LEU A 20 5.118 -6.187 0.457 1.00 0.00 O ATOM 329 CB LEU A 20 2.680 -4.878 -0.200 1.00 0.00 C ATOM 330 CG LEU A 20 1.443 -4.198 -0.793 1.00 0.00 C ATOM 331 CD1 LEU A 20 1.678 -2.704 -0.955 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.079 -4.831 -2.126 1.00 0.00 C ATOM 0 H LEU A 20 3.290 -5.837 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 20 4.098 -3.477 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.527 -5.957 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.767 -4.589 0.847 1.00 0.00 H new ATOM 0 HG LEU A 20 0.609 -4.338 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.787 -2.239 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.891 -2.262 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.524 -2.539 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.198 -4.337 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.912 -4.721 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.866 -5.890 -1.980 1.00 0.00 H new ATOM 344 N LYS A 21 6.224 -4.278 0.015 1.00 0.00 N ATOM 345 CA LYS A 21 7.407 -4.661 0.775 1.00 0.00 C ATOM 346 C LYS A 21 7.184 -4.451 2.269 1.00 0.00 C ATOM 347 O LYS A 21 6.784 -3.371 2.701 1.00 0.00 O ATOM 348 CB LYS A 21 8.620 -3.854 0.310 1.00 0.00 C ATOM 349 CG LYS A 21 9.950 -4.522 0.620 1.00 0.00 C ATOM 350 CD LYS A 21 10.178 -5.741 -0.259 1.00 0.00 C ATOM 351 CE LYS A 21 9.733 -7.018 0.434 1.00 0.00 C ATOM 352 NZ LYS A 21 10.651 -8.155 0.148 1.00 0.00 N ATOM 0 H LYS A 21 6.283 -3.359 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 21 7.595 -5.720 0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.547 -3.691 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.597 -2.873 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.760 -3.808 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.974 -4.818 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.631 -5.624 -1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.235 -5.814 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.688 -6.850 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.725 -7.275 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.095 -9.022 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.200 -7.950 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.299 -8.288 0.950 1.00 0.00 H new ATOM 366 N VAL A 22 7.445 -5.491 3.053 1.00 0.00 N ATOM 367 CA VAL A 22 7.273 -5.418 4.498 1.00 0.00 C ATOM 368 C VAL A 22 8.145 -4.322 5.099 1.00 0.00 C ATOM 369 O VAL A 22 9.348 -4.264 4.844 1.00 0.00 O ATOM 370 CB VAL A 22 7.617 -6.759 5.174 1.00 0.00 C ATOM 371 CG1 VAL A 22 7.249 -6.727 6.650 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.916 -7.908 4.464 1.00 0.00 C ATOM 0 H VAL A 22 7.776 -6.394 2.712 1.00 0.00 H new ATOM 0 HA VAL A 22 6.224 -5.187 4.680 1.00 0.00 H new ATOM 0 HB VAL A 22 8.693 -6.917 5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.500 -7.684 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.803 -5.930 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.180 -6.544 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.170 -8.848 4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.837 -7.757 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.238 -7.943 3.423 1.00 0.00 H new ATOM 382 N GLY A 23 7.533 -3.454 5.897 1.00 0.00 N ATOM 383 CA GLY A 23 8.274 -2.373 6.518 1.00 0.00 C ATOM 384 C GLY A 23 8.304 -1.113 5.671 1.00 0.00 C ATOM 385 O GLY A 23 8.810 -0.079 6.108 1.00 0.00 O ATOM 0 H GLY A 23 6.539 -3.480 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.829 -2.143 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.296 -2.702 6.707 1.00 0.00 H new ATOM 389 N ASP A 24 7.768 -1.194 4.455 1.00 0.00 N ATOM 390 CA ASP A 24 7.747 -0.046 3.554 1.00 0.00 C ATOM 391 C ASP A 24 6.387 0.641 3.575 1.00 0.00 C ATOM 392 O ASP A 24 5.347 -0.012 3.488 1.00 0.00 O ATOM 393 CB ASP A 24 8.089 -0.483 2.129 1.00 0.00 C ATOM 394 CG ASP A 24 9.571 -0.369 1.829 1.00 0.00 C ATOM 395 OD1 ASP A 24 10.158 0.691 2.131 1.00 0.00 O ATOM 396 OD2 ASP A 24 10.145 -1.341 1.293 1.00 0.00 O ATOM 0 H ASP A 24 7.344 -2.039 4.073 1.00 0.00 H new ATOM 0 HA ASP A 24 8.497 0.666 3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.770 -1.515 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.530 0.128 1.420 1.00 0.00 H new ATOM 401 N ILE A 25 6.403 1.965 3.691 1.00 0.00 N ATOM 402 CA ILE A 25 5.172 2.745 3.723 1.00 0.00 C ATOM 403 C ILE A 25 4.856 3.326 2.348 1.00 0.00 C ATOM 404 O ILE A 25 5.753 3.760 1.625 1.00 0.00 O ATOM 405 CB ILE A 25 5.260 3.891 4.752 1.00 0.00 C ATOM 406 CG1 ILE A 25 3.939 4.662 4.813 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.413 4.826 4.413 1.00 0.00 C ATOM 408 CD1 ILE A 25 3.739 5.417 6.109 1.00 0.00 C ATOM 0 H ILE A 25 7.256 2.520 3.764 1.00 0.00 H new ATOM 0 HA ILE A 25 4.372 2.067 4.018 1.00 0.00 H new ATOM 0 HB ILE A 25 5.448 3.458 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.900 5.366 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.113 3.963 4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.460 5.628 5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.349 4.268 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.257 5.252 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.783 5.940 6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.746 4.716 6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.544 6.140 6.237 1.00 0.00 H new ATOM 420 N ILE A 26 3.576 3.331 1.993 1.00 0.00 N ATOM 421 CA ILE A 26 3.141 3.859 0.705 1.00 0.00 C ATOM 422 C ILE A 26 2.097 4.955 0.887 1.00 0.00 C ATOM 423 O ILE A 26 1.183 4.825 1.701 1.00 0.00 O ATOM 424 CB ILE A 26 2.554 2.750 -0.189 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.492 1.539 -0.225 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.307 3.280 -1.594 1.00 0.00 C ATOM 427 CD1 ILE A 26 2.929 0.319 0.471 1.00 0.00 C ATOM 0 H ILE A 26 2.821 2.975 2.579 1.00 0.00 H new ATOM 0 HA ILE A 26 4.023 4.276 0.220 1.00 0.00 H new ATOM 0 HB ILE A 26 1.600 2.431 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.708 1.288 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.439 1.809 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.892 2.486 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.604 4.112 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.248 3.623 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.646 -0.500 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.739 0.553 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.997 0.024 -0.010 1.00 0.00 H new ATOM 439 N ASP A 27 2.241 6.035 0.127 1.00 0.00 N ATOM 440 CA ASP A 27 1.310 7.153 0.208 1.00 0.00 C ATOM 441 C ASP A 27 0.037 6.863 -0.580 1.00 0.00 C ATOM 442 O ASP A 27 0.079 6.654 -1.793 1.00 0.00 O ATOM 443 CB ASP A 27 1.969 8.430 -0.318 1.00 0.00 C ATOM 444 CG ASP A 27 3.253 8.763 0.416 1.00 0.00 C ATOM 445 OD1 ASP A 27 4.285 8.120 0.129 1.00 0.00 O ATOM 446 OD2 ASP A 27 3.227 9.666 1.277 1.00 0.00 O ATOM 0 H ASP A 27 2.993 6.159 -0.551 1.00 0.00 H new ATOM 0 HA ASP A 27 1.042 7.294 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.181 8.315 -1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.272 9.262 -0.220 1.00 0.00 H new ATOM 451 N ILE A 28 -1.094 6.858 0.117 1.00 0.00 N ATOM 452 CA ILE A 28 -2.382 6.599 -0.517 1.00 0.00 C ATOM 453 C ILE A 28 -2.985 7.885 -1.072 1.00 0.00 C ATOM 454 O ILE A 28 -3.180 8.856 -0.341 1.00 0.00 O ATOM 455 CB ILE A 28 -3.380 5.950 0.463 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.420 6.720 1.786 1.00 0.00 C ATOM 457 CG2 ILE A 28 -3.012 4.494 0.705 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.477 6.217 2.745 1.00 0.00 C ATOM 0 H ILE A 28 -1.145 7.030 1.121 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.197 5.904 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.374 5.988 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.444 6.653 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.601 7.775 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.725 4.049 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.037 3.951 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.010 4.438 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.448 6.808 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.460 6.310 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.285 5.171 2.982 1.00 0.00 H new ATOM 470 N ASN A 29 -3.272 7.888 -2.370 1.00 0.00 N ATOM 471 CA ASN A 29 -3.847 9.059 -3.023 1.00 0.00 C ATOM 472 C ASN A 29 -5.372 9.008 -3.002 1.00 0.00 C ATOM 473 O ASN A 29 -6.030 9.999 -2.686 1.00 0.00 O ATOM 474 CB ASN A 29 -3.345 9.159 -4.466 1.00 0.00 C ATOM 475 CG ASN A 29 -2.468 10.375 -4.691 1.00 0.00 C ATOM 476 OD1 ASN A 29 -1.998 10.999 -3.740 1.00 0.00 O ATOM 477 ND2 ASN A 29 -2.243 10.717 -5.954 1.00 0.00 N ATOM 0 H ASN A 29 -3.116 7.093 -2.990 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.529 9.943 -2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.784 8.259 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.199 9.200 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.660 11.526 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.653 10.170 -6.711 1.00 0.00 H new ATOM 484 N GLU A 30 -5.929 7.850 -3.343 1.00 0.00 N ATOM 485 CA GLU A 30 -7.378 7.679 -3.364 1.00 0.00 C ATOM 486 C GLU A 30 -7.756 6.206 -3.480 1.00 0.00 C ATOM 487 O GLU A 30 -6.923 5.366 -3.821 1.00 0.00 O ATOM 488 CB GLU A 30 -7.988 8.467 -4.525 1.00 0.00 C ATOM 489 CG GLU A 30 -9.444 8.844 -4.306 1.00 0.00 C ATOM 490 CD GLU A 30 -9.918 9.918 -5.265 1.00 0.00 C ATOM 491 OE1 GLU A 30 -9.327 10.041 -6.357 1.00 0.00 O ATOM 492 OE2 GLU A 30 -10.882 10.635 -4.922 1.00 0.00 O ATOM 0 H GLU A 30 -5.401 7.018 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.775 8.061 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.406 9.375 -4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.908 7.875 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.067 7.957 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.575 9.193 -3.282 1.00 0.00 H new ATOM 499 N GLU A 31 -9.018 5.902 -3.194 1.00 0.00 N ATOM 500 CA GLU A 31 -9.512 4.532 -3.267 1.00 0.00 C ATOM 501 C GLU A 31 -10.106 4.241 -4.641 1.00 0.00 C ATOM 502 O GLU A 31 -10.958 4.983 -5.131 1.00 0.00 O ATOM 503 CB GLU A 31 -10.563 4.290 -2.180 1.00 0.00 C ATOM 504 CG GLU A 31 -11.188 2.905 -2.231 1.00 0.00 C ATOM 505 CD GLU A 31 -12.346 2.752 -1.264 1.00 0.00 C ATOM 506 OE1 GLU A 31 -13.492 3.058 -1.657 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.108 2.327 -0.114 1.00 0.00 O ATOM 0 H GLU A 31 -9.718 6.587 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.671 3.858 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.102 4.435 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.350 5.038 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.537 2.705 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.427 2.159 -2.002 1.00 0.00 H new ATOM 514 N VAL A 32 -9.652 3.154 -5.258 1.00 0.00 N ATOM 515 CA VAL A 32 -10.140 2.764 -6.575 1.00 0.00 C ATOM 516 C VAL A 32 -11.543 2.171 -6.485 1.00 0.00 C ATOM 517 O VAL A 32 -12.418 2.497 -7.287 1.00 0.00 O ATOM 518 CB VAL A 32 -9.198 1.742 -7.243 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.123 0.461 -6.425 1.00 0.00 C ATOM 520 CG2 VAL A 32 -9.648 1.449 -8.667 1.00 0.00 C ATOM 0 H VAL A 32 -8.948 2.529 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.170 3.667 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.199 2.175 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.453 -0.245 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.745 0.688 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.117 0.022 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.971 0.726 -9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.658 1.040 -8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.638 2.371 -9.249 1.00 0.00 H new ATOM 530 N GLU A 33 -11.749 1.301 -5.503 1.00 0.00 N ATOM 531 CA GLU A 33 -13.046 0.663 -5.305 1.00 0.00 C ATOM 532 C GLU A 33 -13.037 -0.211 -4.055 1.00 0.00 C ATOM 533 O GLU A 33 -11.998 -0.392 -3.419 1.00 0.00 O ATOM 534 CB GLU A 33 -13.419 -0.177 -6.528 1.00 0.00 C ATOM 535 CG GLU A 33 -12.280 -1.040 -7.045 1.00 0.00 C ATOM 536 CD GLU A 33 -12.769 -2.244 -7.826 1.00 0.00 C ATOM 537 OE1 GLU A 33 -13.401 -3.131 -7.214 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.521 -2.300 -9.048 1.00 0.00 O ATOM 0 H GLU A 33 -11.035 1.021 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.792 1.447 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.263 -0.818 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.752 0.487 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.632 -0.437 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.675 -1.378 -6.204 1.00 0.00 H new ATOM 545 N GLU A 34 -14.201 -0.749 -3.707 1.00 0.00 N ATOM 546 CA GLU A 34 -14.328 -1.603 -2.532 1.00 0.00 C ATOM 547 C GLU A 34 -13.526 -2.889 -2.703 1.00 0.00 C ATOM 548 O GLU A 34 -13.822 -3.705 -3.577 1.00 0.00 O ATOM 549 CB GLU A 34 -15.798 -1.936 -2.273 1.00 0.00 C ATOM 550 CG GLU A 34 -16.569 -0.808 -1.608 1.00 0.00 C ATOM 551 CD GLU A 34 -16.830 -1.067 -0.137 1.00 0.00 C ATOM 552 OE1 GLU A 34 -17.359 -2.150 0.190 1.00 0.00 O ATOM 553 OE2 GLU A 34 -16.505 -0.187 0.687 1.00 0.00 O ATOM 0 H GLU A 34 -15.070 -0.609 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.930 -1.059 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.278 -2.184 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.855 -2.824 -1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.010 0.122 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.520 -0.670 -2.123 1.00 0.00 H new ATOM 560 N GLY A 35 -12.511 -3.065 -1.863 1.00 0.00 N ATOM 561 CA GLY A 35 -11.684 -4.255 -1.937 1.00 0.00 C ATOM 562 C GLY A 35 -10.278 -3.959 -2.420 1.00 0.00 C ATOM 563 O GLY A 35 -9.341 -4.694 -2.111 1.00 0.00 O ATOM 0 H GLY A 35 -12.247 -2.404 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.635 -4.721 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.151 -4.976 -2.608 1.00 0.00 H new ATOM 567 N TRP A 36 -10.128 -2.880 -3.183 1.00 0.00 N ATOM 568 CA TRP A 36 -8.825 -2.492 -3.711 1.00 0.00 C ATOM 569 C TRP A 36 -8.519 -1.032 -3.391 1.00 0.00 C ATOM 570 O TRP A 36 -9.428 -0.221 -3.212 1.00 0.00 O ATOM 571 CB TRP A 36 -8.775 -2.716 -5.224 1.00 0.00 C ATOM 572 CG TRP A 36 -9.368 -4.023 -5.652 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.650 -4.246 -6.066 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.702 -5.290 -5.706 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.822 -5.574 -6.376 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.640 -6.235 -6.163 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.404 -5.717 -5.414 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -9.320 -7.580 -6.334 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -7.087 -7.051 -5.584 1.00 0.00 C ATOM 580 CH2 TRP A 36 -8.042 -7.969 -6.040 1.00 0.00 C ATOM 0 H TRP A 36 -10.893 -2.259 -3.449 1.00 0.00 H new ATOM 0 HA TRP A 36 -8.069 -3.116 -3.234 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.306 -1.904 -5.722 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.738 -2.670 -5.557 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.417 -3.489 -6.139 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.687 -5.998 -6.710 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.661 -5.016 -5.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -10.054 -8.290 -6.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -6.087 -7.392 -5.362 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.763 -9.005 -6.162 1.00 0.00 H new ATOM 591 N TRP A 37 -7.233 -0.704 -3.323 1.00 0.00 N ATOM 592 CA TRP A 37 -6.805 0.658 -3.026 1.00 0.00 C ATOM 593 C TRP A 37 -5.585 1.037 -3.860 1.00 0.00 C ATOM 594 O TRP A 37 -4.889 0.171 -4.390 1.00 0.00 O ATOM 595 CB TRP A 37 -6.486 0.802 -1.536 1.00 0.00 C ATOM 596 CG TRP A 37 -7.609 1.398 -0.744 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.854 0.869 -0.561 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.590 2.638 -0.028 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.611 1.704 0.225 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.857 2.797 0.565 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.625 3.629 0.170 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.182 3.906 1.342 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.949 4.730 0.941 1.00 0.00 C ATOM 604 CH2 TRP A 37 -8.218 4.860 1.519 1.00 0.00 C ATOM 0 H TRP A 37 -6.469 -1.363 -3.470 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.621 1.334 -3.281 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.243 -0.179 -1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.599 1.424 -1.420 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.194 -0.069 -0.974 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.576 1.538 0.509 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.644 3.537 -0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.160 4.009 1.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.211 5.503 1.100 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.440 5.732 2.117 1.00 0.00 H new ATOM 615 N SER A 38 -5.332 2.338 -3.972 1.00 0.00 N ATOM 616 CA SER A 38 -4.196 2.832 -4.742 1.00 0.00 C ATOM 617 C SER A 38 -3.130 3.421 -3.823 1.00 0.00 C ATOM 618 O SER A 38 -3.439 3.932 -2.746 1.00 0.00 O ATOM 619 CB SER A 38 -4.656 3.886 -5.750 1.00 0.00 C ATOM 620 OG SER A 38 -3.707 4.048 -6.789 1.00 0.00 O ATOM 0 H SER A 38 -5.898 3.068 -3.540 1.00 0.00 H new ATOM 0 HA SER A 38 -3.761 1.990 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.617 3.593 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.809 4.838 -5.241 1.00 0.00 H new ATOM 0 HG SER A 38 -4.026 4.726 -7.421 1.00 0.00 H new ATOM 626 N GLY A 39 -1.875 3.346 -4.254 1.00 0.00 N ATOM 627 CA GLY A 39 -0.784 3.875 -3.457 1.00 0.00 C ATOM 628 C GLY A 39 0.368 4.374 -4.307 1.00 0.00 C ATOM 629 O GLY A 39 0.425 4.105 -5.507 1.00 0.00 O ATOM 0 H GLY A 39 -1.594 2.928 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.154 4.692 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.423 3.100 -2.781 1.00 0.00 H new ATOM 633 N THR A 40 1.288 5.102 -3.683 1.00 0.00 N ATOM 634 CA THR A 40 2.446 5.640 -4.389 1.00 0.00 C ATOM 635 C THR A 40 3.604 5.883 -3.426 1.00 0.00 C ATOM 636 O THR A 40 3.438 6.527 -2.390 1.00 0.00 O ATOM 637 CB THR A 40 2.076 6.944 -5.098 1.00 0.00 C ATOM 638 OG1 THR A 40 0.810 6.831 -5.725 1.00 0.00 O ATOM 639 CG2 THR A 40 3.077 7.355 -6.157 1.00 0.00 C ATOM 0 H THR A 40 1.255 5.333 -2.690 1.00 0.00 H new ATOM 0 HA THR A 40 2.761 4.907 -5.132 1.00 0.00 H new ATOM 0 HB THR A 40 2.065 7.704 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.590 7.675 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.754 8.287 -6.620 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.055 7.498 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.143 6.576 -6.917 1.00 0.00 H new ATOM 647 N LEU A 41 4.777 5.363 -3.774 1.00 0.00 N ATOM 648 CA LEU A 41 5.962 5.524 -2.940 1.00 0.00 C ATOM 649 C LEU A 41 6.652 6.853 -3.228 1.00 0.00 C ATOM 650 O LEU A 41 6.969 7.611 -2.311 1.00 0.00 O ATOM 651 CB LEU A 41 6.937 4.368 -3.173 1.00 0.00 C ATOM 652 CG LEU A 41 7.720 3.921 -1.937 1.00 0.00 C ATOM 653 CD1 LEU A 41 7.020 2.757 -1.254 1.00 0.00 C ATOM 654 CD2 LEU A 41 9.144 3.541 -2.315 1.00 0.00 C ATOM 0 H LEU A 41 4.932 4.827 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 41 5.646 5.518 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.379 3.515 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.646 4.662 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 41 7.762 4.755 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.591 2.453 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.020 3.063 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.946 1.919 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.685 3.226 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.123 2.723 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.645 4.402 -2.758 1.00 0.00 H new ATOM 666 N ASN A 42 6.880 7.129 -4.508 1.00 0.00 N ATOM 667 CA ASN A 42 7.532 8.367 -4.919 1.00 0.00 C ATOM 668 C ASN A 42 7.635 8.447 -6.439 1.00 0.00 C ATOM 669 O ASN A 42 7.283 9.460 -7.043 1.00 0.00 O ATOM 670 CB ASN A 42 8.925 8.469 -4.296 1.00 0.00 C ATOM 671 CG ASN A 42 9.766 7.234 -4.554 1.00 0.00 C ATOM 672 OD1 ASN A 42 9.267 6.109 -4.509 1.00 0.00 O ATOM 673 ND2 ASN A 42 11.050 7.437 -4.826 1.00 0.00 N ATOM 0 H ASN A 42 6.623 6.512 -5.278 1.00 0.00 H new ATOM 0 HA ASN A 42 6.925 9.201 -4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.436 9.344 -4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.829 8.622 -3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.664 6.643 -5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.422 8.386 -4.853 1.00 0.00 H new ATOM 680 N ASN A 43 8.121 7.372 -7.050 1.00 0.00 N ATOM 681 CA ASN A 43 8.273 7.318 -8.500 1.00 0.00 C ATOM 682 C ASN A 43 7.441 6.186 -9.099 1.00 0.00 C ATOM 683 O ASN A 43 6.967 6.284 -10.231 1.00 0.00 O ATOM 684 CB ASN A 43 9.747 7.137 -8.871 1.00 0.00 C ATOM 685 CG ASN A 43 10.360 8.404 -9.435 1.00 0.00 C ATOM 686 OD1 ASN A 43 9.791 9.042 -10.321 1.00 0.00 O ATOM 687 ND2 ASN A 43 11.528 8.775 -8.923 1.00 0.00 N ATOM 0 H ASN A 43 8.417 6.526 -6.564 1.00 0.00 H new ATOM 0 HA ASN A 43 7.913 8.261 -8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.306 6.828 -7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.839 6.335 -9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.989 9.619 -9.263 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.964 8.216 -8.190 1.00 0.00 H new ATOM 694 N LYS A 44 7.268 5.112 -8.334 1.00 0.00 N ATOM 695 CA LYS A 44 6.496 3.964 -8.795 1.00 0.00 C ATOM 696 C LYS A 44 5.032 4.090 -8.386 1.00 0.00 C ATOM 697 O LYS A 44 4.720 4.552 -7.289 1.00 0.00 O ATOM 698 CB LYS A 44 7.083 2.668 -8.231 1.00 0.00 C ATOM 699 CG LYS A 44 8.599 2.600 -8.315 1.00 0.00 C ATOM 700 CD LYS A 44 9.076 1.202 -8.675 1.00 0.00 C ATOM 701 CE LYS A 44 10.550 1.016 -8.353 1.00 0.00 C ATOM 702 NZ LYS A 44 11.226 0.128 -9.338 1.00 0.00 N ATOM 0 H LYS A 44 7.651 5.013 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 44 6.550 3.938 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.780 2.565 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.659 1.822 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.955 3.310 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.031 2.898 -7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.488 0.464 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.909 1.022 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.044 1.987 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.653 0.594 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.229 0.027 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.771 -0.807 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.151 0.543 -10.289 1.00 0.00 H new ATOM 716 N LEU A 45 4.138 3.674 -9.277 1.00 0.00 N ATOM 717 CA LEU A 45 2.705 3.738 -9.012 1.00 0.00 C ATOM 718 C LEU A 45 2.027 2.422 -9.380 1.00 0.00 C ATOM 719 O LEU A 45 2.376 1.791 -10.377 1.00 0.00 O ATOM 720 CB LEU A 45 2.070 4.889 -9.794 1.00 0.00 C ATOM 721 CG LEU A 45 0.555 5.024 -9.630 1.00 0.00 C ATOM 722 CD1 LEU A 45 0.224 5.957 -8.476 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.078 5.524 -10.921 1.00 0.00 C ATOM 0 H LEU A 45 4.381 3.289 -10.190 1.00 0.00 H new ATOM 0 HA LEU A 45 2.565 3.914 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.539 5.822 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.295 4.757 -10.852 1.00 0.00 H new ATOM 0 HG LEU A 45 0.144 4.040 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.858 6.041 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.645 5.558 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.647 6.942 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.156 5.614 -10.787 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.339 6.498 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.129 4.818 -11.725 1.00 0.00 H new ATOM 735 N GLY A 46 1.057 2.014 -8.568 1.00 0.00 N ATOM 736 CA GLY A 46 0.347 0.775 -8.828 1.00 0.00 C ATOM 737 C GLY A 46 -0.834 0.575 -7.898 1.00 0.00 C ATOM 738 O GLY A 46 -1.154 1.450 -7.094 1.00 0.00 O ATOM 0 H GLY A 46 0.750 2.518 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.003 0.771 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.035 -0.063 -8.721 1.00 0.00 H new ATOM 742 N LEU A 47 -1.482 -0.580 -8.008 1.00 0.00 N ATOM 743 CA LEU A 47 -2.634 -0.894 -7.171 1.00 0.00 C ATOM 744 C LEU A 47 -2.476 -2.263 -6.518 1.00 0.00 C ATOM 745 O LEU A 47 -1.753 -3.122 -7.022 1.00 0.00 O ATOM 746 CB LEU A 47 -3.919 -0.858 -8.000 1.00 0.00 C ATOM 747 CG LEU A 47 -4.021 0.303 -8.989 1.00 0.00 C ATOM 748 CD1 LEU A 47 -4.914 -0.072 -10.162 1.00 0.00 C ATOM 749 CD2 LEU A 47 -4.546 1.550 -8.294 1.00 0.00 C ATOM 0 H LEU A 47 -1.229 -1.314 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.695 -0.141 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.003 -1.794 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.770 -0.812 -7.321 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.024 0.518 -9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.975 0.767 -10.856 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.496 -0.938 -10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.912 -0.314 -9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.612 2.367 -9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.535 1.348 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.868 1.830 -7.488 1.00 0.00 H new ATOM 761 N PHE A 48 -3.156 -2.458 -5.394 1.00 0.00 N ATOM 762 CA PHE A 48 -3.092 -3.724 -4.671 1.00 0.00 C ATOM 763 C PHE A 48 -4.200 -3.810 -3.624 1.00 0.00 C ATOM 764 O PHE A 48 -4.857 -2.814 -3.321 1.00 0.00 O ATOM 765 CB PHE A 48 -1.726 -3.897 -3.999 1.00 0.00 C ATOM 766 CG PHE A 48 -1.074 -2.603 -3.597 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.818 -1.583 -3.026 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.284 -2.410 -3.790 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.219 -0.394 -2.656 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.888 -1.223 -3.423 1.00 0.00 C ATOM 771 CZ PHE A 48 0.136 -0.214 -2.855 1.00 0.00 C ATOM 0 H PHE A 48 -3.758 -1.756 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.232 -4.527 -5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.844 -4.523 -3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.062 -4.430 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.878 -1.719 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.877 -3.196 -4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.810 0.394 -2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.947 -1.084 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.606 0.714 -2.567 1.00 0.00 H new ATOM 781 N PRO A 49 -4.424 -5.009 -3.059 1.00 0.00 N ATOM 782 CA PRO A 49 -5.462 -5.222 -2.044 1.00 0.00 C ATOM 783 C PRO A 49 -5.275 -4.324 -0.827 1.00 0.00 C ATOM 784 O PRO A 49 -4.239 -4.367 -0.163 1.00 0.00 O ATOM 785 CB PRO A 49 -5.291 -6.694 -1.652 1.00 0.00 C ATOM 786 CG PRO A 49 -4.579 -7.319 -2.802 1.00 0.00 C ATOM 787 CD PRO A 49 -3.690 -6.249 -3.366 1.00 0.00 C ATOM 0 HA PRO A 49 -6.455 -4.984 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.716 -6.793 -0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.256 -7.171 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.996 -8.181 -2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.285 -7.675 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.703 -6.259 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.540 -6.374 -4.438 1.00 0.00 H new ATOM 795 N SER A 50 -6.287 -3.513 -0.539 1.00 0.00 N ATOM 796 CA SER A 50 -6.241 -2.602 0.599 1.00 0.00 C ATOM 797 C SER A 50 -6.094 -3.368 1.913 1.00 0.00 C ATOM 798 O SER A 50 -5.683 -2.803 2.926 1.00 0.00 O ATOM 799 CB SER A 50 -7.503 -1.739 0.639 1.00 0.00 C ATOM 800 OG SER A 50 -7.360 -0.667 1.554 1.00 0.00 O ATOM 0 H SER A 50 -7.151 -3.468 -1.079 1.00 0.00 H new ATOM 0 HA SER A 50 -5.370 -1.958 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.710 -1.346 -0.356 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.358 -2.352 0.924 1.00 0.00 H new ATOM 0 HG SER A 50 -7.584 0.176 1.108 1.00 0.00 H new ATOM 806 N ASN A 51 -6.436 -4.653 1.891 1.00 0.00 N ATOM 807 CA ASN A 51 -6.345 -5.487 3.084 1.00 0.00 C ATOM 808 C ASN A 51 -4.903 -5.593 3.572 1.00 0.00 C ATOM 809 O ASN A 51 -4.656 -5.801 4.760 1.00 0.00 O ATOM 810 CB ASN A 51 -6.903 -6.883 2.800 1.00 0.00 C ATOM 811 CG ASN A 51 -8.413 -6.936 2.913 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.963 -7.004 4.012 1.00 0.00 O ATOM 813 ND2 ASN A 51 -9.094 -6.906 1.772 1.00 0.00 N ATOM 0 H ASN A 51 -6.778 -5.138 1.062 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.939 -5.017 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.605 -7.193 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.464 -7.596 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.113 -6.940 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.597 -6.849 0.883 1.00 0.00 H new ATOM 820 N PHE A 52 -3.953 -5.451 2.652 1.00 0.00 N ATOM 821 CA PHE A 52 -2.540 -5.533 3.002 1.00 0.00 C ATOM 822 C PHE A 52 -2.113 -4.317 3.825 1.00 0.00 C ATOM 823 O PHE A 52 -2.188 -4.349 5.052 1.00 0.00 O ATOM 824 CB PHE A 52 -1.682 -5.659 1.740 1.00 0.00 C ATOM 825 CG PHE A 52 -1.426 -7.082 1.334 1.00 0.00 C ATOM 826 CD1 PHE A 52 -0.529 -7.866 2.042 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.083 -7.636 0.248 1.00 0.00 C ATOM 828 CE1 PHE A 52 -0.293 -9.177 1.673 1.00 0.00 C ATOM 829 CE2 PHE A 52 -1.851 -8.946 -0.126 1.00 0.00 C ATOM 830 CZ PHE A 52 -0.954 -9.717 0.588 1.00 0.00 C ATOM 0 H PHE A 52 -4.135 -5.279 1.663 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.390 -6.424 3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.176 -5.138 0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.728 -5.159 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.009 -7.448 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.785 -7.037 -0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.408 -9.778 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.370 -9.366 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.770 -10.741 0.298 1.00 0.00 H new ATOM 840 N VAL A 53 -1.664 -3.255 3.137 1.00 0.00 N ATOM 841 CA VAL A 53 -1.222 -2.003 3.775 1.00 0.00 C ATOM 842 C VAL A 53 -1.691 -1.872 5.223 1.00 0.00 C ATOM 843 O VAL A 53 -2.795 -2.292 5.569 1.00 0.00 O ATOM 844 CB VAL A 53 -1.711 -0.776 2.985 1.00 0.00 C ATOM 845 CG1 VAL A 53 -0.976 -0.666 1.658 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.215 -0.846 2.767 1.00 0.00 C ATOM 0 H VAL A 53 -1.597 -3.240 2.119 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.133 -2.042 3.773 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.493 0.119 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.336 0.207 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.094 -0.564 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.158 -1.563 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.543 0.030 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.460 -1.748 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.722 -0.870 3.732 1.00 0.00 H new ATOM 856 N LYS A 54 -0.860 -1.266 6.066 1.00 0.00 N ATOM 857 CA LYS A 54 -1.221 -1.081 7.463 1.00 0.00 C ATOM 858 C LYS A 54 -0.773 0.275 7.998 1.00 0.00 C ATOM 859 O LYS A 54 0.420 0.567 8.065 1.00 0.00 O ATOM 860 CB LYS A 54 -0.642 -2.201 8.327 1.00 0.00 C ATOM 861 CG LYS A 54 -1.254 -2.268 9.717 1.00 0.00 C ATOM 862 CD LYS A 54 -2.611 -2.955 9.696 1.00 0.00 C ATOM 863 CE LYS A 54 -3.608 -2.247 10.599 1.00 0.00 C ATOM 864 NZ LYS A 54 -3.240 -2.368 12.037 1.00 0.00 N ATOM 0 H LYS A 54 0.056 -0.900 5.808 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.309 -1.116 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.797 -3.155 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.435 -2.060 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.583 -2.807 10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.361 -1.260 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.994 -2.976 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.500 -3.991 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.661 -1.193 10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.602 -2.667 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.945 -1.872 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.215 -3.372 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.303 -1.944 12.192 1.00 0.00 H new ATOM 878 N GLU A 55 -1.743 1.096 8.390 1.00 0.00 N ATOM 879 CA GLU A 55 -1.456 2.420 8.930 1.00 0.00 C ATOM 880 C GLU A 55 -0.768 2.316 10.287 1.00 0.00 C ATOM 881 O GLU A 55 -1.199 1.559 11.157 1.00 0.00 O ATOM 882 CB GLU A 55 -2.747 3.230 9.061 1.00 0.00 C ATOM 883 CG GLU A 55 -2.524 4.734 9.066 1.00 0.00 C ATOM 884 CD GLU A 55 -3.660 5.489 9.728 1.00 0.00 C ATOM 885 OE1 GLU A 55 -4.814 5.341 9.276 1.00 0.00 O ATOM 886 OE2 GLU A 55 -3.394 6.228 10.699 1.00 0.00 O ATOM 0 H GLU A 55 -2.736 0.867 8.343 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.784 2.929 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.413 2.973 8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.254 2.943 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.592 4.958 9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.409 5.084 8.040 1.00 0.00 H new ATOM 893 N LEU A 56 0.304 3.082 10.461 1.00 0.00 N ATOM 894 CA LEU A 56 1.052 3.077 11.713 1.00 0.00 C ATOM 895 C LEU A 56 0.175 3.539 12.872 1.00 0.00 C ATOM 896 O LEU A 56 -0.999 3.862 12.686 1.00 0.00 O ATOM 897 CB LEU A 56 2.282 3.979 11.599 1.00 0.00 C ATOM 898 CG LEU A 56 3.192 3.686 10.405 1.00 0.00 C ATOM 899 CD1 LEU A 56 4.331 4.692 10.343 1.00 0.00 C ATOM 900 CD2 LEU A 56 3.735 2.267 10.487 1.00 0.00 C ATOM 0 H LEU A 56 0.674 3.714 9.751 1.00 0.00 H new ATOM 0 HA LEU A 56 1.376 2.055 11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.949 5.015 11.537 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.867 3.886 12.514 1.00 0.00 H new ATOM 0 HG LEU A 56 2.604 3.778 9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.968 4.468 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.923 5.697 10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.919 4.633 11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.381 2.074 9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.308 2.149 11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.906 1.559 10.483 1.00 0.00 H new