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 Set 1.1: A 29 ASN : amide:sc= 0.106 K(o=0.22,f=-0.78) USER MOD Set 1.2: A 40 THR OG1 : rot 166:sc= 0.112 USER MOD Single : A 3 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.1!) USER MOD Single : A 4 CYS SG : rot -19:sc= -1.72 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.32) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -20:sc= -0.758 USER MOD Single : A 42 ASN : amide:sc= -0.0196 K(o=-0.02,f=-0.92) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -1.074 10.617 5.790 1.00 0.00 N ATOM 21 CA ARG A 2 -2.048 9.976 4.915 1.00 0.00 C ATOM 22 C ARG A 2 -1.423 8.797 4.175 1.00 0.00 C ATOM 23 O ARG A 2 -1.734 8.546 3.011 1.00 0.00 O ATOM 24 CB ARG A 2 -2.604 10.988 3.910 1.00 0.00 C ATOM 25 CG ARG A 2 -4.001 10.648 3.412 1.00 0.00 C ATOM 26 CD ARG A 2 -3.972 10.096 1.995 1.00 0.00 C ATOM 27 NE ARG A 2 -4.741 8.859 1.874 1.00 0.00 N ATOM 28 CZ ARG A 2 -6.052 8.818 1.644 1.00 0.00 C ATOM 29 NH1 ARG A 2 -6.749 9.941 1.521 1.00 0.00 N ATOM 30 NH2 ARG A 2 -6.668 7.648 1.540 1.00 0.00 N ATOM 0 HA ARG A 2 -2.864 9.601 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.623 11.975 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.928 11.049 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.457 9.916 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.626 11.541 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.373 10.841 1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.939 9.912 1.699 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.244 7.974 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.281 10.843 1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.753 9.901 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.138 6.782 1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.672 7.614 1.364 1.00 0.00 H new ATOM 44 N GLN A 3 -0.540 8.077 4.859 1.00 0.00 N ATOM 45 CA GLN A 3 0.128 6.925 4.265 1.00 0.00 C ATOM 46 C GLN A 3 0.038 5.711 5.184 1.00 0.00 C ATOM 47 O GLN A 3 -0.289 5.835 6.364 1.00 0.00 O ATOM 48 CB GLN A 3 1.593 7.252 3.974 1.00 0.00 C ATOM 49 CG GLN A 3 2.384 7.653 5.208 1.00 0.00 C ATOM 50 CD GLN A 3 3.809 8.056 4.883 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.340 7.705 3.830 1.00 0.00 O ATOM 52 NE2 GLN A 3 4.435 8.798 5.788 1.00 0.00 N ATOM 0 H GLN A 3 -0.271 8.271 5.824 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.376 6.687 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.066 6.384 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.638 8.061 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.880 8.483 5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.397 6.821 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.956 9.066 6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.395 9.100 5.624 1.00 0.00 H new ATOM 61 N CYS A 4 0.331 4.537 4.633 1.00 0.00 N ATOM 62 CA CYS A 4 0.285 3.297 5.400 1.00 0.00 C ATOM 63 C CYS A 4 1.341 2.319 4.901 1.00 0.00 C ATOM 64 O CYS A 4 1.738 2.362 3.737 1.00 0.00 O ATOM 65 CB CYS A 4 -1.102 2.657 5.299 1.00 0.00 C ATOM 66 SG CYS A 4 -2.474 3.819 5.496 1.00 0.00 S ATOM 0 H CYS A 4 0.603 4.418 3.657 1.00 0.00 H new ATOM 0 HA CYS A 4 0.491 3.535 6.444 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.193 2.166 4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.187 1.880 6.059 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.047 4.900 6.079 1.00 0.00 H new ATOM 72 N LYS A 5 1.796 1.435 5.785 1.00 0.00 N ATOM 73 CA LYS A 5 2.806 0.451 5.418 1.00 0.00 C ATOM 74 C LYS A 5 2.335 -0.967 5.722 1.00 0.00 C ATOM 75 O LYS A 5 1.929 -1.274 6.840 1.00 0.00 O ATOM 76 CB LYS A 5 4.117 0.736 6.154 1.00 0.00 C ATOM 77 CG LYS A 5 4.005 0.617 7.666 1.00 0.00 C ATOM 78 CD LYS A 5 4.825 -0.547 8.198 1.00 0.00 C ATOM 79 CE LYS A 5 4.105 -1.267 9.327 1.00 0.00 C ATOM 80 NZ LYS A 5 5.053 -1.787 10.351 1.00 0.00 N ATOM 0 H LYS A 5 1.483 1.381 6.754 1.00 0.00 H new ATOM 0 HA LYS A 5 2.973 0.530 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.881 0.044 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.455 1.741 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.343 1.543 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.960 0.484 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.029 -1.249 7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.788 -0.182 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.399 -0.585 9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.524 -2.094 8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.521 -2.271 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.711 -2.458 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.590 -0.996 10.761 1.00 0.00 H new ATOM 94 N VAL A 6 2.398 -1.822 4.710 1.00 0.00 N ATOM 95 CA VAL A 6 1.985 -3.216 4.830 1.00 0.00 C ATOM 96 C VAL A 6 2.825 -3.960 5.865 1.00 0.00 C ATOM 97 O VAL A 6 4.023 -3.715 6.001 1.00 0.00 O ATOM 98 CB VAL A 6 2.104 -3.952 3.480 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.352 -5.271 3.526 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.600 -3.082 2.334 1.00 0.00 C ATOM 0 H VAL A 6 2.737 -1.570 3.782 1.00 0.00 H new ATOM 0 HA VAL A 6 0.943 -3.206 5.150 1.00 0.00 H new ATOM 0 HB VAL A 6 3.158 -4.162 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.446 -5.777 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.770 -5.901 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.299 -5.082 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.696 -3.626 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.553 -2.830 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.190 -2.167 2.285 1.00 0.00 H new ATOM 110 N LEU A 7 2.183 -4.872 6.591 1.00 0.00 N ATOM 111 CA LEU A 7 2.866 -5.657 7.615 1.00 0.00 C ATOM 112 C LEU A 7 3.381 -6.980 7.049 1.00 0.00 C ATOM 113 O LEU A 7 4.327 -7.563 7.579 1.00 0.00 O ATOM 114 CB LEU A 7 1.930 -5.926 8.799 1.00 0.00 C ATOM 115 CG LEU A 7 0.533 -6.438 8.431 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.614 -7.821 7.805 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.365 -6.461 9.659 1.00 0.00 C ATOM 0 H LEU A 7 1.191 -5.085 6.489 1.00 0.00 H new ATOM 0 HA LEU A 7 3.721 -5.076 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.404 -6.655 9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.821 -5.004 9.371 1.00 0.00 H new ATOM 0 HG LEU A 7 0.101 -5.757 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.389 -8.165 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.221 -7.776 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.068 -8.515 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.353 -6.827 9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.066 -7.119 10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.453 -5.453 10.065 1.00 0.00 H new ATOM 129 N PHE A 8 2.753 -7.453 5.975 1.00 0.00 N ATOM 130 CA PHE A 8 3.150 -8.710 5.348 1.00 0.00 C ATOM 131 C PHE A 8 3.691 -8.476 3.940 1.00 0.00 C ATOM 132 O PHE A 8 3.737 -7.343 3.460 1.00 0.00 O ATOM 133 CB PHE A 8 1.964 -9.676 5.296 1.00 0.00 C ATOM 134 CG PHE A 8 2.000 -10.731 6.365 1.00 0.00 C ATOM 135 CD1 PHE A 8 3.121 -11.529 6.530 1.00 0.00 C ATOM 136 CD2 PHE A 8 0.914 -10.924 7.203 1.00 0.00 C ATOM 137 CE1 PHE A 8 3.157 -12.501 7.512 1.00 0.00 C ATOM 138 CE2 PHE A 8 0.945 -11.894 8.187 1.00 0.00 C ATOM 139 CZ PHE A 8 2.068 -12.684 8.341 1.00 0.00 C ATOM 0 H PHE A 8 1.968 -6.985 5.522 1.00 0.00 H new ATOM 0 HA PHE A 8 3.944 -9.149 5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.039 -9.107 5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.943 -10.160 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.976 -11.390 5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.033 -10.310 7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.036 -13.117 7.631 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.092 -12.034 8.835 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.094 -13.443 9.108 1.00 0.00 H new ATOM 149 N GLU A 9 4.103 -9.556 3.283 1.00 0.00 N ATOM 150 CA GLU A 9 4.642 -9.471 1.930 1.00 0.00 C ATOM 151 C GLU A 9 3.543 -9.683 0.893 1.00 0.00 C ATOM 152 O GLU A 9 2.458 -10.169 1.214 1.00 0.00 O ATOM 153 CB GLU A 9 5.750 -10.507 1.734 1.00 0.00 C ATOM 154 CG GLU A 9 6.734 -10.145 0.632 1.00 0.00 C ATOM 155 CD GLU A 9 8.179 -10.246 1.082 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.645 -9.331 1.792 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.843 -11.241 0.724 1.00 0.00 O ATOM 0 H GLU A 9 4.074 -10.501 3.666 1.00 0.00 H new ATOM 0 HA GLU A 9 5.059 -8.473 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.294 -10.626 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.298 -11.471 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.576 -10.805 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.534 -9.129 0.291 1.00 0.00 H new ATOM 164 N TYR A 10 3.831 -9.316 -0.352 1.00 0.00 N ATOM 165 CA TYR A 10 2.866 -9.467 -1.435 1.00 0.00 C ATOM 166 C TYR A 10 3.573 -9.672 -2.772 1.00 0.00 C ATOM 167 O TYR A 10 4.605 -9.057 -3.040 1.00 0.00 O ATOM 168 CB TYR A 10 1.956 -8.239 -1.509 1.00 0.00 C ATOM 169 CG TYR A 10 0.900 -8.329 -2.588 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.310 -8.970 -2.351 1.00 0.00 C ATOM 171 CD2 TYR A 10 1.113 -7.773 -3.843 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.277 -9.054 -3.334 1.00 0.00 C ATOM 173 CE2 TYR A 10 0.150 -7.853 -4.832 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.043 -8.494 -4.572 1.00 0.00 C ATOM 175 OH TYR A 10 -2.003 -8.576 -5.554 1.00 0.00 O ATOM 0 H TYR A 10 4.724 -8.912 -0.635 1.00 0.00 H new ATOM 0 HA TYR A 10 2.260 -10.349 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.467 -8.102 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.568 -7.354 -1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.497 -9.410 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.046 -7.270 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.212 -9.556 -3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.331 -7.416 -5.803 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.680 -8.130 -6.365 1.00 0.00 H new ATOM 185 N ILE A 11 3.010 -10.540 -3.607 1.00 0.00 N ATOM 186 CA ILE A 11 3.586 -10.826 -4.916 1.00 0.00 C ATOM 187 C ILE A 11 2.635 -10.412 -6.038 1.00 0.00 C ATOM 188 O ILE A 11 1.540 -10.961 -6.165 1.00 0.00 O ATOM 189 CB ILE A 11 3.916 -12.324 -5.070 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.677 -12.833 -3.843 1.00 0.00 C ATOM 191 CG2 ILE A 11 4.723 -12.559 -6.338 1.00 0.00 C ATOM 192 CD1 ILE A 11 3.823 -13.653 -2.902 1.00 0.00 C ATOM 0 H ILE A 11 2.156 -11.057 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 11 4.507 -10.247 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 11 2.982 -12.881 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.522 -13.437 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.087 -11.981 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.949 -13.621 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.146 -12.231 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.653 -11.993 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.426 -13.981 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.992 -13.046 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.434 -14.524 -3.429 1.00 0.00 H new ATOM 204 N PRO A 12 3.037 -9.434 -6.872 1.00 0.00 N ATOM 205 CA PRO A 12 2.208 -8.957 -7.981 1.00 0.00 C ATOM 206 C PRO A 12 2.221 -9.914 -9.168 1.00 0.00 C ATOM 207 O PRO A 12 3.213 -10.601 -9.414 1.00 0.00 O ATOM 208 CB PRO A 12 2.865 -7.630 -8.357 1.00 0.00 C ATOM 209 CG PRO A 12 4.300 -7.810 -8.002 1.00 0.00 C ATOM 210 CD PRO A 12 4.327 -8.718 -6.800 1.00 0.00 C ATOM 0 HA PRO A 12 1.158 -8.868 -7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.743 -7.413 -9.418 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.422 -6.798 -7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.854 -8.248 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.768 -6.852 -7.776 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.170 -9.408 -6.838 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.420 -8.152 -5.873 1.00 0.00 H new ATOM 218 N GLN A 13 1.114 -9.954 -9.902 1.00 0.00 N ATOM 219 CA GLN A 13 0.999 -10.827 -11.064 1.00 0.00 C ATOM 220 C GLN A 13 1.139 -10.032 -12.358 1.00 0.00 C ATOM 221 O GLN A 13 1.676 -10.527 -13.349 1.00 0.00 O ATOM 222 CB GLN A 13 -0.343 -11.562 -11.046 1.00 0.00 C ATOM 223 CG GLN A 13 -0.477 -12.556 -9.904 1.00 0.00 C ATOM 224 CD GLN A 13 -0.650 -13.983 -10.388 1.00 0.00 C ATOM 225 OE1 GLN A 13 -1.760 -14.515 -10.405 1.00 0.00 O ATOM 226 NE2 GLN A 13 0.451 -14.611 -10.785 1.00 0.00 N ATOM 0 H GLN A 13 0.284 -9.392 -9.713 1.00 0.00 H new ATOM 0 HA GLN A 13 1.806 -11.558 -11.019 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.148 -10.830 -10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.472 -12.088 -11.992 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.408 -12.496 -9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.331 -12.280 -9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.351 -14.132 -10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.397 -15.573 -11.121 1.00 0.00 H new ATOM 235 N ASN A 14 0.653 -8.795 -12.341 1.00 0.00 N ATOM 236 CA ASN A 14 0.724 -7.929 -13.512 1.00 0.00 C ATOM 237 C ASN A 14 1.225 -6.539 -13.131 1.00 0.00 C ATOM 238 O ASN A 14 1.409 -6.237 -11.952 1.00 0.00 O ATOM 239 CB ASN A 14 -0.649 -7.824 -14.179 1.00 0.00 C ATOM 240 CG ASN A 14 -0.550 -7.579 -15.671 1.00 0.00 C ATOM 241 OD1 ASN A 14 -0.101 -8.442 -16.426 1.00 0.00 O ATOM 242 ND2 ASN A 14 -0.970 -6.396 -16.106 1.00 0.00 N ATOM 0 H ASN A 14 0.206 -8.370 -11.529 1.00 0.00 H new ATOM 0 HA ASN A 14 1.430 -8.370 -14.216 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.207 -8.743 -14.001 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.213 -7.014 -13.717 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.927 -6.174 -17.101 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.335 -5.710 -15.445 1.00 0.00 H new ATOM 249 N GLU A 15 1.442 -5.697 -14.136 1.00 0.00 N ATOM 250 CA GLU A 15 1.921 -4.339 -13.906 1.00 0.00 C ATOM 251 C GLU A 15 0.953 -3.565 -13.016 1.00 0.00 C ATOM 252 O GLU A 15 1.362 -2.703 -12.238 1.00 0.00 O ATOM 253 CB GLU A 15 2.104 -3.607 -15.236 1.00 0.00 C ATOM 254 CG GLU A 15 3.002 -2.384 -15.140 1.00 0.00 C ATOM 255 CD GLU A 15 2.220 -1.085 -15.145 1.00 0.00 C ATOM 256 OE1 GLU A 15 1.582 -0.780 -16.174 1.00 0.00 O ATOM 257 OE2 GLU A 15 2.245 -0.373 -14.119 1.00 0.00 O ATOM 0 H GLU A 15 1.294 -5.931 -15.118 1.00 0.00 H new ATOM 0 HA GLU A 15 2.884 -4.401 -13.399 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.523 -4.299 -15.967 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.127 -3.301 -15.610 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.595 -2.444 -14.227 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.702 -2.385 -15.975 1.00 0.00 H new ATOM 264 N ASP A 16 -0.332 -3.880 -13.136 1.00 0.00 N ATOM 265 CA ASP A 16 -1.359 -3.216 -12.342 1.00 0.00 C ATOM 266 C ASP A 16 -1.139 -3.463 -10.853 1.00 0.00 C ATOM 267 O ASP A 16 -1.481 -2.626 -10.017 1.00 0.00 O ATOM 268 CB ASP A 16 -2.748 -3.709 -12.753 1.00 0.00 C ATOM 269 CG ASP A 16 -3.375 -2.842 -13.828 1.00 0.00 C ATOM 270 OD1 ASP A 16 -3.088 -1.627 -13.852 1.00 0.00 O ATOM 271 OD2 ASP A 16 -4.152 -3.378 -14.645 1.00 0.00 O ATOM 0 H ASP A 16 -0.687 -4.591 -13.775 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.291 -2.144 -12.528 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.674 -4.735 -13.115 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.398 -3.725 -11.878 1.00 0.00 H new ATOM 276 N GLU A 17 -0.566 -4.618 -10.527 1.00 0.00 N ATOM 277 CA GLU A 17 -0.300 -4.974 -9.139 1.00 0.00 C ATOM 278 C GLU A 17 1.156 -4.698 -8.776 1.00 0.00 C ATOM 279 O GLU A 17 2.065 -4.978 -9.557 1.00 0.00 O ATOM 280 CB GLU A 17 -0.627 -6.449 -8.897 1.00 0.00 C ATOM 281 CG GLU A 17 -2.081 -6.801 -9.164 1.00 0.00 C ATOM 282 CD GLU A 17 -2.345 -7.123 -10.621 1.00 0.00 C ATOM 283 OE1 GLU A 17 -1.482 -7.769 -11.253 1.00 0.00 O ATOM 284 OE2 GLU A 17 -3.415 -6.730 -11.132 1.00 0.00 O ATOM 0 H GLU A 17 -0.277 -5.323 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.937 -4.359 -8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.010 -7.063 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.384 -6.702 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.362 -7.657 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.714 -5.968 -8.859 1.00 0.00 H new ATOM 291 N LEU A 18 1.369 -4.146 -7.586 1.00 0.00 N ATOM 292 CA LEU A 18 2.713 -3.831 -7.118 1.00 0.00 C ATOM 293 C LEU A 18 3.142 -4.787 -6.010 1.00 0.00 C ATOM 294 O LEU A 18 2.305 -5.384 -5.334 1.00 0.00 O ATOM 295 CB LEU A 18 2.772 -2.388 -6.611 1.00 0.00 C ATOM 296 CG LEU A 18 4.143 -1.716 -6.722 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.216 -0.855 -7.974 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.429 -0.881 -5.482 1.00 0.00 C ATOM 0 H LEU A 18 0.627 -3.908 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 18 3.399 -3.945 -7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.047 -1.794 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.461 -2.373 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 18 4.903 -2.494 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.198 -0.385 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.056 -1.478 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.447 -0.084 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.408 -0.411 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.665 -0.111 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.420 -1.523 -4.601 1.00 0.00 H new ATOM 310 N GLU A 19 4.451 -4.925 -5.828 1.00 0.00 N ATOM 311 CA GLU A 19 4.989 -5.807 -4.799 1.00 0.00 C ATOM 312 C GLU A 19 5.189 -5.052 -3.489 1.00 0.00 C ATOM 313 O GLU A 19 6.101 -4.235 -3.365 1.00 0.00 O ATOM 314 CB GLU A 19 6.316 -6.413 -5.260 1.00 0.00 C ATOM 315 CG GLU A 19 6.717 -7.660 -4.488 1.00 0.00 C ATOM 316 CD GLU A 19 8.176 -8.024 -4.686 1.00 0.00 C ATOM 317 OE1 GLU A 19 9.020 -7.543 -3.900 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.474 -8.789 -5.626 1.00 0.00 O ATOM 0 H GLU A 19 5.158 -4.438 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 19 4.271 -6.610 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.245 -6.659 -6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.102 -5.665 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.526 -7.503 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.092 -8.495 -4.804 1.00 0.00 H new ATOM 325 N LEU A 20 4.329 -5.330 -2.516 1.00 0.00 N ATOM 326 CA LEU A 20 4.408 -4.676 -1.215 1.00 0.00 C ATOM 327 C LEU A 20 5.331 -5.442 -0.273 1.00 0.00 C ATOM 328 O LEU A 20 5.120 -6.625 -0.006 1.00 0.00 O ATOM 329 CB LEU A 20 3.015 -4.558 -0.595 1.00 0.00 C ATOM 330 CG LEU A 20 2.099 -3.526 -1.254 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.644 -3.809 -0.911 1.00 0.00 C ATOM 332 CD2 LEU A 20 2.488 -2.116 -0.827 1.00 0.00 C ATOM 0 H LEU A 20 3.569 -6.004 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 20 4.819 -3.678 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.530 -5.533 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.124 -4.304 0.460 1.00 0.00 H new ATOM 0 HG LEU A 20 2.217 -3.600 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.006 -3.065 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.373 -4.802 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.509 -3.763 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.825 -1.395 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.400 -2.026 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.517 -1.916 -1.125 1.00 0.00 H new ATOM 344 N LYS A 21 6.352 -4.757 0.231 1.00 0.00 N ATOM 345 CA LYS A 21 7.305 -5.369 1.148 1.00 0.00 C ATOM 346 C LYS A 21 6.941 -5.050 2.594 1.00 0.00 C ATOM 347 O LYS A 21 6.328 -4.021 2.876 1.00 0.00 O ATOM 348 CB LYS A 21 8.723 -4.880 0.847 1.00 0.00 C ATOM 349 CG LYS A 21 9.810 -5.771 1.426 1.00 0.00 C ATOM 350 CD LYS A 21 11.063 -5.751 0.565 1.00 0.00 C ATOM 351 CE LYS A 21 12.325 -5.824 1.411 1.00 0.00 C ATOM 352 NZ LYS A 21 13.096 -4.550 1.369 1.00 0.00 N ATOM 0 H LYS A 21 6.540 -3.777 0.019 1.00 0.00 H new ATOM 0 HA LYS A 21 7.266 -6.449 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.855 -4.816 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.842 -3.872 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.055 -5.439 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.439 -6.793 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.041 -6.590 -0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.079 -4.841 -0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.058 -6.053 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.954 -6.641 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.948 -4.641 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.373 -4.344 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.505 -3.775 1.732 1.00 0.00 H new ATOM 366 N VAL A 22 7.319 -5.938 3.507 1.00 0.00 N ATOM 367 CA VAL A 22 7.030 -5.748 4.918 1.00 0.00 C ATOM 368 C VAL A 22 7.779 -4.542 5.474 1.00 0.00 C ATOM 369 O VAL A 22 8.993 -4.424 5.311 1.00 0.00 O ATOM 370 CB VAL A 22 7.412 -6.996 5.732 1.00 0.00 C ATOM 371 CG1 VAL A 22 6.386 -8.100 5.532 1.00 0.00 C ATOM 372 CG2 VAL A 22 8.808 -7.477 5.358 1.00 0.00 C ATOM 0 H VAL A 22 7.827 -6.796 3.292 1.00 0.00 H new ATOM 0 HA VAL A 22 5.957 -5.575 5.006 1.00 0.00 H new ATOM 0 HB VAL A 22 7.420 -6.727 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.674 -8.974 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.407 -7.751 5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.341 -8.368 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.058 -8.360 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.835 -7.727 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.532 -6.688 5.563 1.00 0.00 H new ATOM 382 N GLY A 23 7.048 -3.649 6.135 1.00 0.00 N ATOM 383 CA GLY A 23 7.665 -2.467 6.707 1.00 0.00 C ATOM 384 C GLY A 23 7.712 -1.296 5.741 1.00 0.00 C ATOM 385 O GLY A 23 8.116 -0.195 6.115 1.00 0.00 O ATOM 0 H GLY A 23 6.042 -3.723 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.114 -2.172 7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.679 -2.710 7.024 1.00 0.00 H new ATOM 389 N ASP A 24 7.305 -1.530 4.495 1.00 0.00 N ATOM 390 CA ASP A 24 7.314 -0.480 3.482 1.00 0.00 C ATOM 391 C ASP A 24 6.030 0.343 3.530 1.00 0.00 C ATOM 392 O ASP A 24 4.930 -0.208 3.581 1.00 0.00 O ATOM 393 CB ASP A 24 7.492 -1.087 2.090 1.00 0.00 C ATOM 394 CG ASP A 24 8.949 -1.186 1.684 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.685 -1.985 2.302 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.355 -0.465 0.748 1.00 0.00 O ATOM 0 H ASP A 24 6.966 -2.434 4.165 1.00 0.00 H new ATOM 0 HA ASP A 24 8.153 0.183 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.044 -2.080 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.955 -0.480 1.361 1.00 0.00 H new ATOM 401 N ILE A 25 6.180 1.664 3.510 1.00 0.00 N ATOM 402 CA ILE A 25 5.033 2.564 3.547 1.00 0.00 C ATOM 403 C ILE A 25 4.731 3.124 2.160 1.00 0.00 C ATOM 404 O ILE A 25 5.643 3.450 1.400 1.00 0.00 O ATOM 405 CB ILE A 25 5.265 3.733 4.528 1.00 0.00 C ATOM 406 CG1 ILE A 25 3.978 4.543 4.706 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.399 4.625 4.042 1.00 0.00 C ATOM 408 CD1 ILE A 25 3.314 4.333 6.049 1.00 0.00 C ATOM 0 H ILE A 25 7.084 2.134 3.468 1.00 0.00 H new ATOM 0 HA ILE A 25 4.180 1.979 3.892 1.00 0.00 H new ATOM 0 HB ILE A 25 5.549 3.320 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.205 5.602 4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.276 4.274 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.546 5.443 4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.316 4.040 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.148 5.032 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.409 4.937 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.056 3.281 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.999 4.630 6.844 1.00 0.00 H new ATOM 420 N ILE A 26 3.447 3.233 1.836 1.00 0.00 N ATOM 421 CA ILE A 26 3.029 3.753 0.540 1.00 0.00 C ATOM 422 C ILE A 26 1.942 4.812 0.696 1.00 0.00 C ATOM 423 O ILE A 26 0.928 4.581 1.354 1.00 0.00 O ATOM 424 CB ILE A 26 2.507 2.630 -0.377 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.456 1.431 -0.346 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.339 3.143 -1.800 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.118 0.420 0.728 1.00 0.00 C ATOM 0 H ILE A 26 2.679 2.968 2.453 1.00 0.00 H new ATOM 0 HA ILE A 26 3.910 4.204 0.083 1.00 0.00 H new ATOM 0 HB ILE A 26 1.533 2.307 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.436 0.937 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.474 1.788 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.970 2.338 -2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.626 3.968 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.301 3.491 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.832 -0.403 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.166 0.899 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.112 0.035 0.561 1.00 0.00 H new ATOM 439 N ASP A 27 2.161 5.973 0.087 1.00 0.00 N ATOM 440 CA ASP A 27 1.200 7.067 0.159 1.00 0.00 C ATOM 441 C ASP A 27 0.052 6.846 -0.823 1.00 0.00 C ATOM 442 O ASP A 27 0.265 6.759 -2.032 1.00 0.00 O ATOM 443 CB ASP A 27 1.891 8.401 -0.133 1.00 0.00 C ATOM 444 CG ASP A 27 1.629 9.436 0.943 1.00 0.00 C ATOM 445 OD1 ASP A 27 0.572 10.100 0.884 1.00 0.00 O ATOM 446 OD2 ASP A 27 2.480 9.584 1.845 1.00 0.00 O ATOM 0 H ASP A 27 2.996 6.180 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 27 0.790 7.094 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.965 8.239 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.545 8.784 -1.093 1.00 0.00 H new ATOM 451 N ILE A 28 -1.164 6.756 -0.294 1.00 0.00 N ATOM 452 CA ILE A 28 -2.343 6.545 -1.124 1.00 0.00 C ATOM 453 C ILE A 28 -2.648 7.776 -1.972 1.00 0.00 C ATOM 454 O ILE A 28 -2.596 8.905 -1.485 1.00 0.00 O ATOM 455 CB ILE A 28 -3.580 6.207 -0.270 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.244 5.112 0.747 1.00 0.00 C ATOM 457 CG2 ILE A 28 -4.737 5.777 -1.161 1.00 0.00 C ATOM 458 CD1 ILE A 28 -3.175 5.614 2.172 1.00 0.00 C ATOM 0 H ILE A 28 -1.358 6.826 0.705 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.120 5.702 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.881 7.101 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.995 4.325 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.287 4.662 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.604 5.541 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.989 6.586 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.448 4.895 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.933 4.786 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.404 6.380 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.138 6.038 2.455 1.00 0.00 H new ATOM 470 N ASN A 29 -2.967 7.548 -3.242 1.00 0.00 N ATOM 471 CA ASN A 29 -3.281 8.638 -4.158 1.00 0.00 C ATOM 472 C ASN A 29 -4.790 8.780 -4.335 1.00 0.00 C ATOM 473 O ASN A 29 -5.314 9.891 -4.414 1.00 0.00 O ATOM 474 CB ASN A 29 -2.615 8.400 -5.515 1.00 0.00 C ATOM 475 CG ASN A 29 -1.919 9.640 -6.042 1.00 0.00 C ATOM 476 OD1 ASN A 29 -0.702 9.782 -5.920 1.00 0.00 O ATOM 477 ND2 ASN A 29 -2.690 10.545 -6.633 1.00 0.00 N ATOM 0 H ASN A 29 -3.015 6.619 -3.660 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.895 9.563 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.890 7.591 -5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.367 8.075 -6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.278 11.399 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.694 10.386 -6.712 1.00 0.00 H new ATOM 484 N GLU A 30 -5.482 7.647 -4.395 1.00 0.00 N ATOM 485 CA GLU A 30 -6.931 7.643 -4.562 1.00 0.00 C ATOM 486 C GLU A 30 -7.505 6.256 -4.290 1.00 0.00 C ATOM 487 O GLU A 30 -6.992 5.253 -4.786 1.00 0.00 O ATOM 488 CB GLU A 30 -7.304 8.100 -5.975 1.00 0.00 C ATOM 489 CG GLU A 30 -8.009 9.446 -6.012 1.00 0.00 C ATOM 490 CD GLU A 30 -9.159 9.475 -7.000 1.00 0.00 C ATOM 491 OE1 GLU A 30 -9.043 8.833 -8.065 1.00 0.00 O ATOM 492 OE2 GLU A 30 -10.176 10.139 -6.708 1.00 0.00 O ATOM 0 H GLU A 30 -5.063 6.719 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.359 8.339 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.399 8.156 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.948 7.349 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.384 9.683 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.290 10.222 -6.275 1.00 0.00 H new ATOM 499 N GLU A 31 -8.573 6.207 -3.501 1.00 0.00 N ATOM 500 CA GLU A 31 -9.217 4.943 -3.164 1.00 0.00 C ATOM 501 C GLU A 31 -10.059 4.433 -4.329 1.00 0.00 C ATOM 502 O GLU A 31 -10.700 5.213 -5.033 1.00 0.00 O ATOM 503 CB GLU A 31 -10.094 5.108 -1.921 1.00 0.00 C ATOM 504 CG GLU A 31 -10.735 3.813 -1.452 1.00 0.00 C ATOM 505 CD GLU A 31 -11.470 3.969 -0.135 1.00 0.00 C ATOM 506 OE1 GLU A 31 -10.815 3.885 0.924 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.702 4.175 -0.164 1.00 0.00 O ATOM 0 H GLU A 31 -9.011 7.028 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.436 4.212 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.489 5.518 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.878 5.835 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.431 3.460 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.965 3.049 -1.346 1.00 0.00 H new ATOM 514 N VAL A 32 -10.053 3.119 -4.526 1.00 0.00 N ATOM 515 CA VAL A 32 -10.817 2.505 -5.606 1.00 0.00 C ATOM 516 C VAL A 32 -12.142 1.951 -5.095 1.00 0.00 C ATOM 517 O VAL A 32 -13.202 2.234 -5.655 1.00 0.00 O ATOM 518 CB VAL A 32 -10.025 1.369 -6.280 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.748 0.877 -7.524 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.615 1.830 -6.620 1.00 0.00 C ATOM 0 H VAL A 32 -9.528 2.459 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.011 3.287 -6.340 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.952 0.537 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.173 0.075 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.734 0.504 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.856 1.699 -8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.070 1.014 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.664 2.679 -7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.099 2.127 -5.707 1.00 0.00 H new ATOM 530 N GLU A 33 -12.077 1.160 -4.029 1.00 0.00 N ATOM 531 CA GLU A 33 -13.273 0.567 -3.443 1.00 0.00 C ATOM 532 C GLU A 33 -12.928 -0.227 -2.187 1.00 0.00 C ATOM 533 O GLU A 33 -11.759 -0.355 -1.823 1.00 0.00 O ATOM 534 CB GLU A 33 -13.968 -0.341 -4.459 1.00 0.00 C ATOM 535 CG GLU A 33 -13.121 -1.525 -4.896 1.00 0.00 C ATOM 536 CD GLU A 33 -13.909 -2.542 -5.698 1.00 0.00 C ATOM 537 OE1 GLU A 33 -14.582 -3.393 -5.079 1.00 0.00 O ATOM 538 OE2 GLU A 33 -13.854 -2.487 -6.944 1.00 0.00 O ATOM 0 H GLU A 33 -11.209 0.915 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.950 1.375 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.898 -0.710 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.235 0.248 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.283 -1.166 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.699 -2.010 -4.016 1.00 0.00 H new ATOM 545 N GLU A 34 -13.953 -0.758 -1.528 1.00 0.00 N ATOM 546 CA GLU A 34 -13.757 -1.540 -0.313 1.00 0.00 C ATOM 547 C GLU A 34 -13.110 -2.885 -0.630 1.00 0.00 C ATOM 548 O GLU A 34 -13.729 -3.938 -0.474 1.00 0.00 O ATOM 549 CB GLU A 34 -15.094 -1.757 0.400 1.00 0.00 C ATOM 550 CG GLU A 34 -16.114 -2.512 -0.437 1.00 0.00 C ATOM 551 CD GLU A 34 -17.542 -2.213 -0.024 1.00 0.00 C ATOM 552 OE1 GLU A 34 -17.806 -1.076 0.420 1.00 0.00 O ATOM 553 OE2 GLU A 34 -18.397 -3.116 -0.145 1.00 0.00 O ATOM 0 H GLU A 34 -14.927 -0.661 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.089 -0.983 0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.918 -2.306 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.510 -0.788 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.981 -2.252 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.930 -3.583 -0.348 1.00 0.00 H new ATOM 560 N GLY A 35 -11.859 -2.842 -1.078 1.00 0.00 N ATOM 561 CA GLY A 35 -11.147 -4.061 -1.411 1.00 0.00 C ATOM 562 C GLY A 35 -9.785 -3.790 -2.018 1.00 0.00 C ATOM 563 O GLY A 35 -8.809 -4.469 -1.699 1.00 0.00 O ATOM 0 H GLY A 35 -11.326 -1.984 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.027 -4.665 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.743 -4.647 -2.111 1.00 0.00 H new ATOM 567 N TRP A 36 -9.719 -2.793 -2.895 1.00 0.00 N ATOM 568 CA TRP A 36 -8.466 -2.432 -3.549 1.00 0.00 C ATOM 569 C TRP A 36 -8.097 -0.982 -3.251 1.00 0.00 C ATOM 570 O TRP A 36 -8.942 -0.089 -3.318 1.00 0.00 O ATOM 571 CB TRP A 36 -8.576 -2.643 -5.060 1.00 0.00 C ATOM 572 CG TRP A 36 -9.168 -3.968 -5.433 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.441 -4.204 -5.867 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.511 -5.240 -5.403 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.615 -5.545 -6.110 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.445 -6.202 -5.832 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.223 -5.659 -5.055 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -9.131 -7.556 -5.923 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.913 -7.003 -5.146 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.863 -7.937 -5.577 1.00 0.00 C ATOM 0 H TRP A 36 -10.518 -2.221 -3.169 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.680 -3.077 -3.156 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.186 -1.847 -5.487 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.584 -2.558 -5.505 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.200 -3.447 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.475 -5.981 -6.443 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.484 -4.946 -4.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.862 -8.279 -6.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.921 -7.338 -4.880 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.589 -8.980 -5.638 1.00 0.00 H new ATOM 591 N TRP A 37 -6.829 -0.755 -2.921 1.00 0.00 N ATOM 592 CA TRP A 37 -6.348 0.586 -2.612 1.00 0.00 C ATOM 593 C TRP A 37 -5.159 0.956 -3.494 1.00 0.00 C ATOM 594 O TRP A 37 -4.490 0.084 -4.049 1.00 0.00 O ATOM 595 CB TRP A 37 -5.953 0.681 -1.137 1.00 0.00 C ATOM 596 CG TRP A 37 -6.988 1.349 -0.285 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.343 1.297 -0.449 1.00 0.00 C ATOM 598 CD2 TRP A 37 -6.753 2.170 0.865 1.00 0.00 C ATOM 599 NE1 TRP A 37 -8.964 2.036 0.529 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.010 2.581 1.347 1.00 0.00 C ATOM 601 CE3 TRP A 37 -5.602 2.596 1.534 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.147 3.398 2.467 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -5.739 3.406 2.645 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.003 3.800 3.102 1.00 0.00 C ATOM 0 H TRP A 37 -6.117 -1.483 -2.861 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.157 1.289 -2.811 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.769 -0.322 -0.753 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.015 1.231 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.852 0.755 -1.232 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -9.972 2.159 0.629 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.623 2.297 1.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.121 3.703 2.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.857 3.741 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.077 4.434 3.973 1.00 0.00 H new ATOM 615 N SER A 38 -4.901 2.254 -3.616 1.00 0.00 N ATOM 616 CA SER A 38 -3.792 2.741 -4.427 1.00 0.00 C ATOM 617 C SER A 38 -2.692 3.322 -3.545 1.00 0.00 C ATOM 618 O SER A 38 -2.942 3.717 -2.406 1.00 0.00 O ATOM 619 CB SER A 38 -4.282 3.800 -5.416 1.00 0.00 C ATOM 620 OG SER A 38 -3.614 3.684 -6.661 1.00 0.00 O ATOM 0 H SER A 38 -5.446 2.988 -3.163 1.00 0.00 H new ATOM 0 HA SER A 38 -3.382 1.898 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.356 3.693 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.115 4.794 -5.001 1.00 0.00 H new ATOM 0 HG SER A 38 -2.779 3.186 -6.539 1.00 0.00 H new ATOM 626 N GLY A 39 -1.475 3.370 -4.076 1.00 0.00 N ATOM 627 CA GLY A 39 -0.359 3.904 -3.318 1.00 0.00 C ATOM 628 C GLY A 39 0.799 4.323 -4.202 1.00 0.00 C ATOM 629 O GLY A 39 0.995 3.771 -5.285 1.00 0.00 O ATOM 0 H GLY A 39 -1.242 3.049 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.697 4.762 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.015 3.153 -2.607 1.00 0.00 H new ATOM 633 N THR A 40 1.569 5.302 -3.737 1.00 0.00 N ATOM 634 CA THR A 40 2.717 5.798 -4.487 1.00 0.00 C ATOM 635 C THR A 40 3.991 5.695 -3.655 1.00 0.00 C ATOM 636 O THR A 40 4.018 6.101 -2.494 1.00 0.00 O ATOM 637 CB THR A 40 2.485 7.249 -4.912 1.00 0.00 C ATOM 638 OG1 THR A 40 1.147 7.439 -5.336 1.00 0.00 O ATOM 639 CG2 THR A 40 3.392 7.695 -6.040 1.00 0.00 C ATOM 0 H THR A 40 1.418 5.768 -2.842 1.00 0.00 H new ATOM 0 HA THR A 40 2.835 5.182 -5.378 1.00 0.00 H new ATOM 0 HB THR A 40 2.709 7.848 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.955 8.398 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.175 8.733 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.432 7.607 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.222 7.066 -6.914 1.00 0.00 H new ATOM 647 N LEU A 41 5.043 5.146 -4.254 1.00 0.00 N ATOM 648 CA LEU A 41 6.318 4.989 -3.562 1.00 0.00 C ATOM 649 C LEU A 41 7.447 5.677 -4.323 1.00 0.00 C ATOM 650 O LEU A 41 8.190 5.036 -5.067 1.00 0.00 O ATOM 651 CB LEU A 41 6.640 3.504 -3.377 1.00 0.00 C ATOM 652 CG LEU A 41 7.291 3.144 -2.039 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.762 1.812 -1.528 1.00 0.00 C ATOM 654 CD2 LEU A 41 8.805 3.100 -2.179 1.00 0.00 C ATOM 0 H LEU A 41 5.038 4.803 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 41 6.230 5.461 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.718 2.932 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.303 3.188 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 41 7.035 3.915 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.236 1.573 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.683 1.878 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.987 1.029 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.252 2.843 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.080 2.350 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.169 4.076 -2.499 1.00 0.00 H new ATOM 666 N ASN A 42 7.572 6.987 -4.129 1.00 0.00 N ATOM 667 CA ASN A 42 8.613 7.765 -4.793 1.00 0.00 C ATOM 668 C ASN A 42 8.534 7.614 -6.309 1.00 0.00 C ATOM 669 O ASN A 42 9.219 6.776 -6.896 1.00 0.00 O ATOM 670 CB ASN A 42 9.994 7.332 -4.298 1.00 0.00 C ATOM 671 CG ASN A 42 10.408 8.057 -3.032 1.00 0.00 C ATOM 672 OD1 ASN A 42 9.583 8.678 -2.361 1.00 0.00 O ATOM 673 ND2 ASN A 42 11.691 7.982 -2.699 1.00 0.00 N ATOM 0 H ASN A 42 6.965 7.532 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 42 8.455 8.815 -4.546 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.990 6.258 -4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.732 7.519 -5.078 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.028 8.450 -1.858 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.340 7.456 -3.284 1.00 0.00 H new ATOM 680 N ASN A 43 7.696 8.433 -6.938 1.00 0.00 N ATOM 681 CA ASN A 43 7.528 8.395 -8.388 1.00 0.00 C ATOM 682 C ASN A 43 7.214 6.982 -8.871 1.00 0.00 C ATOM 683 O ASN A 43 7.524 6.620 -10.007 1.00 0.00 O ATOM 684 CB ASN A 43 8.790 8.913 -9.081 1.00 0.00 C ATOM 685 CG ASN A 43 9.152 10.319 -8.646 1.00 0.00 C ATOM 686 OD1 ASN A 43 10.082 10.520 -7.864 1.00 0.00 O ATOM 687 ND2 ASN A 43 8.416 11.302 -9.151 1.00 0.00 N ATOM 0 H ASN A 43 7.122 9.132 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 43 6.686 9.039 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.622 8.243 -8.864 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.641 8.897 -10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.612 12.269 -8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.655 11.090 -9.796 1.00 0.00 H new ATOM 694 N LYS A 44 6.597 6.187 -8.004 1.00 0.00 N ATOM 695 CA LYS A 44 6.242 4.814 -8.344 1.00 0.00 C ATOM 696 C LYS A 44 4.754 4.568 -8.123 1.00 0.00 C ATOM 697 O LYS A 44 4.235 4.788 -7.029 1.00 0.00 O ATOM 698 CB LYS A 44 7.064 3.831 -7.508 1.00 0.00 C ATOM 699 CG LYS A 44 7.446 2.565 -8.258 1.00 0.00 C ATOM 700 CD LYS A 44 8.891 2.171 -7.991 1.00 0.00 C ATOM 701 CE LYS A 44 9.004 0.714 -7.571 1.00 0.00 C ATOM 702 NZ LYS A 44 8.703 -0.215 -8.695 1.00 0.00 N ATOM 0 H LYS A 44 6.332 6.470 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 44 6.465 4.657 -9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.972 4.328 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.495 3.559 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.785 1.751 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.301 2.717 -9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.487 2.339 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.305 2.809 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.011 0.521 -7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.318 0.520 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.791 -1.198 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.734 -0.049 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.374 -0.048 -9.472 1.00 0.00 H new ATOM 716 N LEU A 45 4.072 4.111 -9.168 1.00 0.00 N ATOM 717 CA LEU A 45 2.643 3.836 -9.085 1.00 0.00 C ATOM 718 C LEU A 45 2.384 2.340 -8.944 1.00 0.00 C ATOM 719 O LEU A 45 3.111 1.518 -9.503 1.00 0.00 O ATOM 720 CB LEU A 45 1.926 4.375 -10.325 1.00 0.00 C ATOM 721 CG LEU A 45 0.428 4.630 -10.146 1.00 0.00 C ATOM 722 CD1 LEU A 45 0.188 5.631 -9.027 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.186 5.124 -11.447 1.00 0.00 C ATOM 0 H LEU A 45 4.486 3.924 -10.081 1.00 0.00 H new ATOM 0 HA LEU A 45 2.252 4.339 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.404 5.307 -10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.064 3.667 -11.142 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.053 3.690 -9.874 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.883 5.800 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.594 5.239 -8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.681 6.573 -9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.252 5.301 -11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.298 6.053 -11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.045 4.373 -12.224 1.00 0.00 H new ATOM 735 N GLY A 46 1.345 1.994 -8.192 1.00 0.00 N ATOM 736 CA GLY A 46 1.009 0.597 -7.989 1.00 0.00 C ATOM 737 C GLY A 46 -0.337 0.418 -7.315 1.00 0.00 C ATOM 738 O GLY A 46 -0.857 1.346 -6.695 1.00 0.00 O ATOM 0 H GLY A 46 0.729 2.656 -7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.001 0.085 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.782 0.125 -7.382 1.00 0.00 H new ATOM 742 N LEU A 47 -0.903 -0.779 -7.435 1.00 0.00 N ATOM 743 CA LEU A 47 -2.197 -1.075 -6.832 1.00 0.00 C ATOM 744 C LEU A 47 -2.166 -2.419 -6.110 1.00 0.00 C ATOM 745 O LEU A 47 -1.446 -3.334 -6.511 1.00 0.00 O ATOM 746 CB LEU A 47 -3.290 -1.083 -7.902 1.00 0.00 C ATOM 747 CG LEU A 47 -3.261 0.105 -8.866 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.641 -0.336 -10.271 1.00 0.00 C ATOM 749 CD2 LEU A 47 -4.192 1.206 -8.381 1.00 0.00 C ATOM 0 H LEU A 47 -0.486 -1.559 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.417 -0.296 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.204 -2.003 -8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.261 -1.107 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.245 0.500 -8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.615 0.523 -10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.935 -1.090 -10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.646 -0.757 -10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.159 2.043 -9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.210 0.822 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.874 1.543 -7.394 1.00 0.00 H new ATOM 761 N PHE A 48 -2.951 -2.530 -5.043 1.00 0.00 N ATOM 762 CA PHE A 48 -3.013 -3.763 -4.264 1.00 0.00 C ATOM 763 C PHE A 48 -4.209 -3.749 -3.315 1.00 0.00 C ATOM 764 O PHE A 48 -4.801 -2.699 -3.064 1.00 0.00 O ATOM 765 CB PHE A 48 -1.717 -3.970 -3.470 1.00 0.00 C ATOM 766 CG PHE A 48 -0.962 -2.700 -3.188 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.564 -1.658 -2.502 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.349 -2.552 -3.610 1.00 0.00 C ATOM 769 CE1 PHE A 48 -0.871 -0.490 -2.242 1.00 0.00 C ATOM 770 CE2 PHE A 48 1.047 -1.388 -3.353 1.00 0.00 C ATOM 771 CZ PHE A 48 0.436 -0.355 -2.668 1.00 0.00 C ATOM 0 H PHE A 48 -3.553 -1.782 -4.698 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.133 -4.592 -4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.956 -4.456 -2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.069 -4.650 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.586 -1.759 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.831 -3.356 -4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.351 0.316 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.069 -1.285 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.979 0.556 -2.466 1.00 0.00 H new ATOM 781 N PRO A 49 -4.582 -4.922 -2.773 1.00 0.00 N ATOM 782 CA PRO A 49 -5.715 -5.041 -1.848 1.00 0.00 C ATOM 783 C PRO A 49 -5.492 -4.263 -0.554 1.00 0.00 C ATOM 784 O PRO A 49 -4.449 -4.389 0.087 1.00 0.00 O ATOM 785 CB PRO A 49 -5.795 -6.544 -1.560 1.00 0.00 C ATOM 786 CG PRO A 49 -4.442 -7.073 -1.892 1.00 0.00 C ATOM 787 CD PRO A 49 -3.933 -6.221 -3.019 1.00 0.00 C ATOM 0 HA PRO A 49 -6.629 -4.629 -2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.048 -6.733 -0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.565 -7.022 -2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.778 -7.017 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.494 -8.121 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.846 -6.138 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.207 -6.631 -3.991 1.00 0.00 H new ATOM 795 N SER A 50 -6.482 -3.461 -0.178 1.00 0.00 N ATOM 796 CA SER A 50 -6.402 -2.662 1.040 1.00 0.00 C ATOM 797 C SER A 50 -6.356 -3.550 2.282 1.00 0.00 C ATOM 798 O SER A 50 -5.936 -3.111 3.352 1.00 0.00 O ATOM 799 CB SER A 50 -7.595 -1.709 1.126 1.00 0.00 C ATOM 800 OG SER A 50 -8.821 -2.418 1.067 1.00 0.00 O ATOM 0 H SER A 50 -7.351 -3.347 -0.700 1.00 0.00 H new ATOM 0 HA SER A 50 -5.480 -2.082 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.544 -1.141 2.055 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.548 -0.989 0.309 1.00 0.00 H new ATOM 0 HG SER A 50 -9.568 -1.786 1.126 1.00 0.00 H new ATOM 806 N ASN A 51 -6.794 -4.797 2.135 1.00 0.00 N ATOM 807 CA ASN A 51 -6.805 -5.739 3.249 1.00 0.00 C ATOM 808 C ASN A 51 -5.391 -6.001 3.761 1.00 0.00 C ATOM 809 O ASN A 51 -5.196 -6.312 4.936 1.00 0.00 O ATOM 810 CB ASN A 51 -7.455 -7.056 2.822 1.00 0.00 C ATOM 811 CG ASN A 51 -8.969 -6.973 2.801 1.00 0.00 C ATOM 812 OD1 ASN A 51 -9.639 -7.399 3.742 1.00 0.00 O ATOM 813 ND2 ASN A 51 -9.516 -6.421 1.724 1.00 0.00 N ATOM 0 H ASN A 51 -7.145 -5.178 1.257 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.387 -5.297 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.095 -7.331 1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.147 -7.848 3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.530 -6.337 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.922 -6.081 0.968 1.00 0.00 H new ATOM 820 N PHE A 52 -4.408 -5.873 2.876 1.00 0.00 N ATOM 821 CA PHE A 52 -3.016 -6.097 3.247 1.00 0.00 C ATOM 822 C PHE A 52 -2.459 -4.897 4.014 1.00 0.00 C ATOM 823 O PHE A 52 -2.424 -4.910 5.243 1.00 0.00 O ATOM 824 CB PHE A 52 -2.170 -6.371 2.000 1.00 0.00 C ATOM 825 CG PHE A 52 -1.799 -7.817 1.833 1.00 0.00 C ATOM 826 CD1 PHE A 52 -0.684 -8.337 2.471 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.564 -8.655 1.039 1.00 0.00 C ATOM 828 CE1 PHE A 52 -0.339 -9.666 2.320 1.00 0.00 C ATOM 829 CE2 PHE A 52 -2.224 -9.986 0.883 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.110 -10.492 1.525 1.00 0.00 C ATOM 0 H PHE A 52 -4.549 -5.616 1.899 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.972 -6.970 3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.719 -6.041 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.259 -5.774 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.078 -7.696 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.436 -8.264 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.532 -10.059 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.828 -10.629 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.842 -11.531 1.406 1.00 0.00 H new ATOM 840 N VAL A 53 -2.024 -3.874 3.267 1.00 0.00 N ATOM 841 CA VAL A 53 -1.459 -2.636 3.829 1.00 0.00 C ATOM 842 C VAL A 53 -1.770 -2.442 5.314 1.00 0.00 C ATOM 843 O VAL A 53 -2.852 -2.791 5.786 1.00 0.00 O ATOM 844 CB VAL A 53 -1.959 -1.402 3.056 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.282 -1.314 1.698 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.472 -1.445 2.904 1.00 0.00 C ATOM 0 H VAL A 53 -2.054 -3.880 2.247 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.379 -2.740 3.726 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.699 -0.509 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.647 -0.436 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.203 -1.233 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.509 -2.210 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.808 -0.565 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.757 -2.344 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.937 -1.457 3.890 1.00 0.00 H new ATOM 856 N LYS A 54 -0.821 -1.857 6.040 1.00 0.00 N ATOM 857 CA LYS A 54 -1.004 -1.602 7.463 1.00 0.00 C ATOM 858 C LYS A 54 -0.817 -0.124 7.789 1.00 0.00 C ATOM 859 O LYS A 54 0.260 0.436 7.587 1.00 0.00 O ATOM 860 CB LYS A 54 -0.040 -2.448 8.297 1.00 0.00 C ATOM 861 CG LYS A 54 -0.645 -2.947 9.601 1.00 0.00 C ATOM 862 CD LYS A 54 0.029 -2.315 10.811 1.00 0.00 C ATOM 863 CE LYS A 54 0.306 -3.344 11.896 1.00 0.00 C ATOM 864 NZ LYS A 54 1.709 -3.839 11.848 1.00 0.00 N ATOM 0 H LYS A 54 0.078 -1.552 5.667 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.026 -1.883 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.285 -3.304 7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.849 -1.858 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.711 -2.720 9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.549 -4.031 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.965 -1.847 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.606 -1.525 11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.110 -2.903 12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.379 -4.184 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.713 -4.877 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.150 -3.547 10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.245 -3.440 12.644 1.00 0.00 H new ATOM 878 N GLU A 55 -1.874 0.499 8.299 1.00 0.00 N ATOM 879 CA GLU A 55 -1.832 1.912 8.660 1.00 0.00 C ATOM 880 C GLU A 55 -1.324 2.096 10.086 1.00 0.00 C ATOM 881 O GLU A 55 -1.724 1.368 10.996 1.00 0.00 O ATOM 882 CB GLU A 55 -3.222 2.537 8.517 1.00 0.00 C ATOM 883 CG GLU A 55 -3.260 4.019 8.851 1.00 0.00 C ATOM 884 CD GLU A 55 -4.589 4.660 8.504 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.613 4.264 9.099 1.00 0.00 O ATOM 886 OE2 GLU A 55 -4.607 5.559 7.636 1.00 0.00 O ATOM 0 H GLU A 55 -2.772 0.047 8.472 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.142 2.414 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.572 2.394 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.918 2.008 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.063 4.153 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.462 4.530 8.312 1.00 0.00 H new ATOM 893 N LEU A 56 -0.443 3.073 10.275 1.00 0.00 N ATOM 894 CA LEU A 56 0.117 3.352 11.593 1.00 0.00 C ATOM 895 C LEU A 56 -0.173 4.789 12.014 1.00 0.00 C ATOM 896 O LEU A 56 0.597 5.702 11.717 1.00 0.00 O ATOM 897 CB LEU A 56 1.627 3.101 11.593 1.00 0.00 C ATOM 898 CG LEU A 56 2.431 3.977 10.626 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.229 5.024 11.389 1.00 0.00 C ATOM 900 CD2 LEU A 56 3.353 3.122 9.770 1.00 0.00 C ATOM 0 H LEU A 56 -0.102 3.684 9.533 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.355 2.681 12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.006 3.259 12.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.806 2.055 11.345 1.00 0.00 H new ATOM 0 HG LEU A 56 1.731 4.492 9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.793 5.636 10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.548 5.658 11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.918 4.529 12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.915 3.762 9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.045 2.578 10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.760 2.412 9.193 1.00 0.00 H new