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= -0.358 X(o=-0.36,f=-0.076) USER MOD Single : A 4 CYS SG : rot -17:sc= -1.49 USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.556 (180deg=-1.05!) USER MOD Single : A 10 TYR OH : rot -150:sc= 0.0368 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.931 X(o=-0.93,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0558 K(o=-0.056,f=-1.2) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 42 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.00048) USER MOD Single : A 43 ASN : amide:sc= -0.0277 X(o=-0.028,f=-0.28) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -1.855 11.285 5.418 1.00 0.00 N ATOM 21 CA ARG A 2 -2.439 10.034 4.949 1.00 0.00 C ATOM 22 C ARG A 2 -1.351 9.047 4.539 1.00 0.00 C ATOM 23 O ARG A 2 -0.990 8.957 3.366 1.00 0.00 O ATOM 24 CB ARG A 2 -3.377 10.295 3.769 1.00 0.00 C ATOM 25 CG ARG A 2 -4.791 10.665 4.185 1.00 0.00 C ATOM 26 CD ARG A 2 -5.809 10.267 3.127 1.00 0.00 C ATOM 27 NE ARG A 2 -6.628 11.399 2.702 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.495 12.027 3.494 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.657 11.637 4.752 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.201 13.047 3.027 1.00 0.00 N ATOM 0 HA ARG A 2 -3.010 9.599 5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.965 11.099 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.413 9.405 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.034 10.174 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.850 11.739 4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.290 9.850 2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.453 9.481 3.521 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.530 11.728 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.116 10.853 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.322 12.121 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.080 13.351 2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.865 13.528 3.634 1.00 0.00 H new ATOM 44 N GLN A 3 -0.830 8.310 5.514 1.00 0.00 N ATOM 45 CA GLN A 3 0.218 7.331 5.254 1.00 0.00 C ATOM 46 C GLN A 3 -0.057 6.025 5.992 1.00 0.00 C ATOM 47 O GLN A 3 -0.578 6.028 7.108 1.00 0.00 O ATOM 48 CB GLN A 3 1.580 7.887 5.672 1.00 0.00 C ATOM 49 CG GLN A 3 1.977 9.151 4.926 1.00 0.00 C ATOM 50 CD GLN A 3 2.726 10.134 5.803 1.00 0.00 C ATOM 51 OE1 GLN A 3 3.808 10.602 5.447 1.00 0.00 O ATOM 52 NE2 GLN A 3 2.153 10.453 6.958 1.00 0.00 N ATOM 0 H GLN A 3 -1.116 8.372 6.491 1.00 0.00 H new ATOM 0 HA GLN A 3 0.228 7.126 4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.565 8.096 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.341 7.124 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.600 8.884 4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.082 9.631 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.255 10.041 7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.611 11.110 7.590 1.00 0.00 H new ATOM 61 N CYS A 4 0.297 4.912 5.361 1.00 0.00 N ATOM 62 CA CYS A 4 0.093 3.595 5.953 1.00 0.00 C ATOM 63 C CYS A 4 1.201 2.638 5.529 1.00 0.00 C ATOM 64 O CYS A 4 1.670 2.684 4.392 1.00 0.00 O ATOM 65 CB CYS A 4 -1.269 3.032 5.538 1.00 0.00 C ATOM 66 SG CYS A 4 -2.637 4.202 5.715 1.00 0.00 S ATOM 0 H CYS A 4 0.728 4.895 4.437 1.00 0.00 H new ATOM 0 HA CYS A 4 0.119 3.700 7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.215 2.708 4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.482 2.147 6.137 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.272 5.183 6.486 1.00 0.00 H new ATOM 72 N LYS A 5 1.619 1.771 6.447 1.00 0.00 N ATOM 73 CA LYS A 5 2.674 0.809 6.154 1.00 0.00 C ATOM 74 C LYS A 5 2.160 -0.626 6.254 1.00 0.00 C ATOM 75 O LYS A 5 1.600 -1.031 7.270 1.00 0.00 O ATOM 76 CB LYS A 5 3.846 1.013 7.116 1.00 0.00 C ATOM 77 CG LYS A 5 4.995 0.041 6.901 1.00 0.00 C ATOM 78 CD LYS A 5 5.914 -0.006 8.110 1.00 0.00 C ATOM 79 CE LYS A 5 5.372 -0.930 9.188 1.00 0.00 C ATOM 80 NZ LYS A 5 4.966 -2.252 8.635 1.00 0.00 N ATOM 0 H LYS A 5 1.245 1.716 7.394 1.00 0.00 H new ATOM 0 HA LYS A 5 3.010 0.976 5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.219 2.031 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.485 0.913 8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.599 -0.955 6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.565 0.337 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.903 -0.345 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.033 0.998 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.131 -1.076 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.515 -0.460 9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.845 -2.931 9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.068 -2.152 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.701 -2.597 7.985 1.00 0.00 H new ATOM 94 N VAL A 6 2.369 -1.386 5.187 1.00 0.00 N ATOM 95 CA VAL A 6 1.945 -2.781 5.120 1.00 0.00 C ATOM 96 C VAL A 6 2.653 -3.626 6.173 1.00 0.00 C ATOM 97 O VAL A 6 3.825 -3.404 6.478 1.00 0.00 O ATOM 98 CB VAL A 6 2.222 -3.389 3.728 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.419 -4.664 3.532 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.917 -2.385 2.622 1.00 0.00 C ATOM 0 H VAL A 6 2.837 -1.054 4.343 1.00 0.00 H new ATOM 0 HA VAL A 6 0.872 -2.790 5.309 1.00 0.00 H new ATOM 0 HB VAL A 6 3.282 -3.638 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.628 -5.077 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.697 -5.390 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.355 -4.440 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.121 -2.839 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.868 -2.095 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.544 -1.503 2.748 1.00 0.00 H new ATOM 110 N LEU A 7 1.933 -4.597 6.726 1.00 0.00 N ATOM 111 CA LEU A 7 2.491 -5.478 7.747 1.00 0.00 C ATOM 112 C LEU A 7 3.014 -6.777 7.136 1.00 0.00 C ATOM 113 O LEU A 7 3.871 -7.443 7.716 1.00 0.00 O ATOM 114 CB LEU A 7 1.442 -5.793 8.818 1.00 0.00 C ATOM 115 CG LEU A 7 0.008 -5.958 8.306 1.00 0.00 C ATOM 116 CD1 LEU A 7 -0.068 -7.069 7.269 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.939 -6.242 9.461 1.00 0.00 C ATOM 0 H LEU A 7 0.962 -4.794 6.484 1.00 0.00 H new ATOM 0 HA LEU A 7 3.328 -4.956 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.734 -6.710 9.330 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.455 -4.995 9.561 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.296 -5.025 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.095 -7.170 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.581 -6.826 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.256 -8.008 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.954 -6.357 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.635 -7.160 9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.909 -5.413 10.169 1.00 0.00 H new ATOM 129 N PHE A 8 2.492 -7.136 5.966 1.00 0.00 N ATOM 130 CA PHE A 8 2.910 -8.361 5.288 1.00 0.00 C ATOM 131 C PHE A 8 3.518 -8.055 3.922 1.00 0.00 C ATOM 132 O PHE A 8 3.592 -6.898 3.508 1.00 0.00 O ATOM 133 CB PHE A 8 1.720 -9.311 5.132 1.00 0.00 C ATOM 134 CG PHE A 8 1.854 -10.574 5.933 1.00 0.00 C ATOM 135 CD1 PHE A 8 1.789 -10.543 7.317 1.00 0.00 C ATOM 136 CD2 PHE A 8 2.047 -11.793 5.302 1.00 0.00 C ATOM 137 CE1 PHE A 8 1.913 -11.704 8.056 1.00 0.00 C ATOM 138 CE2 PHE A 8 2.172 -12.957 6.036 1.00 0.00 C ATOM 139 CZ PHE A 8 2.105 -12.913 7.415 1.00 0.00 C ATOM 0 H PHE A 8 1.782 -6.599 5.469 1.00 0.00 H new ATOM 0 HA PHE A 8 3.674 -8.841 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.810 -8.793 5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.606 -9.568 4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.640 -9.601 7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.100 -11.833 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.860 -11.667 9.134 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.322 -13.900 5.532 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.202 -13.821 7.991 1.00 0.00 H new ATOM 149 N GLU A 9 3.953 -9.103 3.228 1.00 0.00 N ATOM 150 CA GLU A 9 4.557 -8.951 1.909 1.00 0.00 C ATOM 151 C GLU A 9 3.611 -9.443 0.816 1.00 0.00 C ATOM 152 O GLU A 9 2.902 -10.433 0.994 1.00 0.00 O ATOM 153 CB GLU A 9 5.880 -9.719 1.840 1.00 0.00 C ATOM 154 CG GLU A 9 7.106 -8.830 1.976 1.00 0.00 C ATOM 155 CD GLU A 9 8.344 -9.444 1.354 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.554 -9.254 0.137 1.00 0.00 O ATOM 157 OE2 GLU A 9 9.105 -10.115 2.082 1.00 0.00 O ATOM 0 H GLU A 9 3.898 -10.067 3.558 1.00 0.00 H new ATOM 0 HA GLU A 9 4.751 -7.891 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.896 -10.470 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.932 -10.253 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.906 -7.868 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.293 -8.635 3.032 1.00 0.00 H new ATOM 164 N TYR A 10 3.607 -8.744 -0.316 1.00 0.00 N ATOM 165 CA TYR A 10 2.750 -9.110 -1.439 1.00 0.00 C ATOM 166 C TYR A 10 3.550 -9.171 -2.737 1.00 0.00 C ATOM 167 O TYR A 10 4.468 -8.379 -2.950 1.00 0.00 O ATOM 168 CB TYR A 10 1.603 -8.107 -1.580 1.00 0.00 C ATOM 169 CG TYR A 10 0.625 -8.454 -2.681 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.200 -9.567 -2.577 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.525 -7.668 -3.824 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.096 -9.888 -3.580 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.368 -7.983 -4.830 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.176 -9.093 -4.703 1.00 0.00 C ATOM 175 OH TYR A 10 -2.066 -9.410 -5.703 1.00 0.00 O ATOM 0 H TYR A 10 4.188 -7.921 -0.479 1.00 0.00 H new ATOM 0 HA TYR A 10 2.337 -10.099 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.065 -8.048 -0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.018 -7.118 -1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.140 -10.192 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.156 -6.797 -3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.730 -10.757 -3.484 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.433 -7.363 -5.712 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.713 -9.104 -6.564 1.00 0.00 H new ATOM 185 N ILE A 11 3.194 -10.116 -3.603 1.00 0.00 N ATOM 186 CA ILE A 11 3.878 -10.279 -4.880 1.00 0.00 C ATOM 187 C ILE A 11 2.920 -10.047 -6.050 1.00 0.00 C ATOM 188 O ILE A 11 2.003 -10.837 -6.275 1.00 0.00 O ATOM 189 CB ILE A 11 4.504 -11.684 -5.009 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.308 -11.793 -6.308 1.00 0.00 C ATOM 191 CG2 ILE A 11 3.426 -12.758 -4.956 1.00 0.00 C ATOM 192 CD1 ILE A 11 6.618 -12.533 -6.147 1.00 0.00 C ATOM 0 H ILE A 11 2.436 -10.780 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 11 4.673 -9.534 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 11 5.181 -11.838 -4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.703 -12.301 -7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.510 -10.791 -6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.887 -13.741 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.895 -12.694 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.723 -12.608 -5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.134 -12.572 -7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.242 -12.014 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.423 -13.547 -5.799 1.00 0.00 H new ATOM 204 N PRO A 12 3.118 -8.957 -6.814 1.00 0.00 N ATOM 205 CA PRO A 12 2.262 -8.636 -7.960 1.00 0.00 C ATOM 206 C PRO A 12 2.496 -9.577 -9.137 1.00 0.00 C ATOM 207 O PRO A 12 3.414 -10.396 -9.118 1.00 0.00 O ATOM 208 CB PRO A 12 2.678 -7.210 -8.324 1.00 0.00 C ATOM 209 CG PRO A 12 4.088 -7.100 -7.858 1.00 0.00 C ATOM 210 CD PRO A 12 4.186 -7.956 -6.625 1.00 0.00 C ATOM 0 HA PRO A 12 1.203 -8.737 -7.721 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.600 -7.036 -9.397 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.040 -6.474 -7.835 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.781 -7.443 -8.627 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.346 -6.065 -7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.166 -8.426 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.032 -7.372 -5.718 1.00 0.00 H new ATOM 218 N GLN A 13 1.658 -9.454 -10.162 1.00 0.00 N ATOM 219 CA GLN A 13 1.775 -10.294 -11.349 1.00 0.00 C ATOM 220 C GLN A 13 1.214 -9.584 -12.578 1.00 0.00 C ATOM 221 O GLN A 13 0.777 -10.227 -13.532 1.00 0.00 O ATOM 222 CB GLN A 13 1.042 -11.619 -11.134 1.00 0.00 C ATOM 223 CG GLN A 13 -0.419 -11.451 -10.750 1.00 0.00 C ATOM 224 CD GLN A 13 -0.884 -12.495 -9.754 1.00 0.00 C ATOM 225 OE1 GLN A 13 -1.494 -13.497 -10.127 1.00 0.00 O ATOM 226 NE2 GLN A 13 -0.597 -12.265 -8.478 1.00 0.00 N ATOM 0 H GLN A 13 0.892 -8.782 -10.194 1.00 0.00 H new ATOM 0 HA GLN A 13 2.833 -10.493 -11.519 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.103 -12.211 -12.047 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.552 -12.184 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.567 -10.458 -10.326 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.036 -11.510 -11.647 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.089 -11.421 -8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.884 -12.933 -7.762 1.00 0.00 H new ATOM 235 N ASN A 14 1.231 -8.255 -12.549 1.00 0.00 N ATOM 236 CA ASN A 14 0.724 -7.462 -13.663 1.00 0.00 C ATOM 237 C ASN A 14 1.264 -6.037 -13.606 1.00 0.00 C ATOM 238 O ASN A 14 1.752 -5.588 -12.569 1.00 0.00 O ATOM 239 CB ASN A 14 -0.805 -7.441 -13.647 1.00 0.00 C ATOM 240 CG ASN A 14 -1.388 -6.832 -14.907 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.215 -5.922 -14.846 1.00 0.00 O ATOM 242 ND2 ASN A 14 -0.960 -7.334 -16.059 1.00 0.00 N ATOM 0 H ASN A 14 1.590 -7.706 -11.768 1.00 0.00 H new ATOM 0 HA ASN A 14 1.064 -7.924 -14.590 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.178 -8.459 -13.532 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.149 -6.876 -12.781 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.318 -6.965 -16.940 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.273 -8.088 -16.063 1.00 0.00 H new ATOM 249 N GLU A 15 1.172 -5.330 -14.728 1.00 0.00 N ATOM 250 CA GLU A 15 1.649 -3.955 -14.807 1.00 0.00 C ATOM 251 C GLU A 15 0.868 -3.053 -13.857 1.00 0.00 C ATOM 252 O GLU A 15 1.389 -2.049 -13.369 1.00 0.00 O ATOM 253 CB GLU A 15 1.527 -3.433 -16.240 1.00 0.00 C ATOM 254 CG GLU A 15 2.583 -3.989 -17.181 1.00 0.00 C ATOM 255 CD GLU A 15 2.981 -3.001 -18.260 1.00 0.00 C ATOM 256 OE1 GLU A 15 2.080 -2.346 -18.826 1.00 0.00 O ATOM 257 OE2 GLU A 15 4.192 -2.881 -18.538 1.00 0.00 O ATOM 0 H GLU A 15 0.771 -5.687 -15.595 1.00 0.00 H new ATOM 0 HA GLU A 15 2.698 -3.943 -14.511 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.539 -3.684 -16.627 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.598 -2.345 -16.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.466 -4.268 -16.606 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.206 -4.899 -17.648 1.00 0.00 H new ATOM 264 N ASP A 16 -0.384 -3.417 -13.596 1.00 0.00 N ATOM 265 CA ASP A 16 -1.236 -2.640 -12.703 1.00 0.00 C ATOM 266 C ASP A 16 -1.250 -3.242 -11.302 1.00 0.00 C ATOM 267 O ASP A 16 -2.246 -3.148 -10.585 1.00 0.00 O ATOM 268 CB ASP A 16 -2.661 -2.572 -13.255 1.00 0.00 C ATOM 269 CG ASP A 16 -2.744 -1.776 -14.543 1.00 0.00 C ATOM 270 OD1 ASP A 16 -1.837 -0.955 -14.794 1.00 0.00 O ATOM 271 OD2 ASP A 16 -3.717 -1.974 -15.301 1.00 0.00 O ATOM 0 H ASP A 16 -0.831 -4.245 -13.990 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.829 -1.631 -12.641 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.028 -3.583 -13.431 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.316 -2.121 -12.509 1.00 0.00 H new ATOM 276 N GLU A 17 -0.138 -3.860 -10.917 1.00 0.00 N ATOM 277 CA GLU A 17 -0.022 -4.475 -9.599 1.00 0.00 C ATOM 278 C GLU A 17 1.268 -4.042 -8.912 1.00 0.00 C ATOM 279 O GLU A 17 2.358 -4.190 -9.465 1.00 0.00 O ATOM 280 CB GLU A 17 -0.065 -6.000 -9.716 1.00 0.00 C ATOM 281 CG GLU A 17 -1.460 -6.552 -9.958 1.00 0.00 C ATOM 282 CD GLU A 17 -1.536 -8.052 -9.753 1.00 0.00 C ATOM 283 OE1 GLU A 17 -1.074 -8.532 -8.696 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.056 -8.748 -10.650 1.00 0.00 O ATOM 0 H GLU A 17 0.695 -3.948 -11.498 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.866 -4.142 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.587 -6.312 -10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.337 -6.438 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.163 -6.061 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.771 -6.312 -10.975 1.00 0.00 H new ATOM 291 N LEU A 18 1.136 -3.506 -7.703 1.00 0.00 N ATOM 292 CA LEU A 18 2.291 -3.052 -6.939 1.00 0.00 C ATOM 293 C LEU A 18 2.722 -4.111 -5.929 1.00 0.00 C ATOM 294 O LEU A 18 1.954 -5.014 -5.598 1.00 0.00 O ATOM 295 CB LEU A 18 1.969 -1.739 -6.219 1.00 0.00 C ATOM 296 CG LEU A 18 2.811 -0.539 -6.655 1.00 0.00 C ATOM 297 CD1 LEU A 18 2.104 0.762 -6.307 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.186 -0.591 -6.007 1.00 0.00 C ATOM 0 H LEU A 18 0.241 -3.376 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 18 3.114 -2.882 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.917 -1.503 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.103 -1.887 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 18 2.939 -0.581 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.717 1.605 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.142 0.801 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.946 0.813 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.772 0.270 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.078 -0.573 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.695 -1.508 -6.306 1.00 0.00 H new ATOM 310 N GLU A 19 3.954 -3.994 -5.446 1.00 0.00 N ATOM 311 CA GLU A 19 4.485 -4.943 -4.476 1.00 0.00 C ATOM 312 C GLU A 19 4.466 -4.357 -3.068 1.00 0.00 C ATOM 313 O GLU A 19 5.264 -3.479 -2.740 1.00 0.00 O ATOM 314 CB GLU A 19 5.912 -5.344 -4.854 1.00 0.00 C ATOM 315 CG GLU A 19 6.344 -6.680 -4.270 1.00 0.00 C ATOM 316 CD GLU A 19 7.789 -7.013 -4.584 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.096 -7.266 -5.768 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.614 -7.021 -3.646 1.00 0.00 O ATOM 0 H GLU A 19 4.602 -3.252 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 19 3.849 -5.828 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.992 -5.389 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.600 -4.569 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.206 -6.662 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.700 -7.468 -4.660 1.00 0.00 H new ATOM 325 N LEU A 20 3.552 -4.852 -2.240 1.00 0.00 N ATOM 326 CA LEU A 20 3.430 -4.382 -0.865 1.00 0.00 C ATOM 327 C LEU A 20 4.489 -5.030 0.020 1.00 0.00 C ATOM 328 O LEU A 20 4.238 -6.054 0.654 1.00 0.00 O ATOM 329 CB LEU A 20 2.035 -4.691 -0.319 1.00 0.00 C ATOM 330 CG LEU A 20 0.875 -4.178 -1.176 1.00 0.00 C ATOM 331 CD1 LEU A 20 -0.238 -5.214 -1.245 1.00 0.00 C ATOM 332 CD2 LEU A 20 0.348 -2.862 -0.623 1.00 0.00 C ATOM 0 H LEU A 20 2.885 -5.579 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 20 3.582 -3.303 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.936 -5.771 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.948 -4.260 0.678 1.00 0.00 H new ATOM 0 HG LEU A 20 1.243 -4.004 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.054 -4.831 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.147 -6.133 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.606 -5.420 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.476 -2.511 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.004 -3.011 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.147 -2.120 -0.626 1.00 0.00 H new ATOM 344 N LYS A 21 5.673 -4.428 0.057 1.00 0.00 N ATOM 345 CA LYS A 21 6.770 -4.951 0.864 1.00 0.00 C ATOM 346 C LYS A 21 6.598 -4.572 2.331 1.00 0.00 C ATOM 347 O LYS A 21 6.419 -3.400 2.663 1.00 0.00 O ATOM 348 CB LYS A 21 8.109 -4.426 0.339 1.00 0.00 C ATOM 349 CG LYS A 21 8.942 -5.484 -0.367 1.00 0.00 C ATOM 350 CD LYS A 21 10.337 -5.591 0.231 1.00 0.00 C ATOM 351 CE LYS A 21 11.395 -5.753 -0.848 1.00 0.00 C ATOM 352 NZ LYS A 21 12.670 -6.292 -0.299 1.00 0.00 N ATOM 0 H LYS A 21 5.898 -3.579 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 21 6.759 -6.038 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.922 -3.603 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.683 -4.020 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.441 -6.449 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.018 -5.241 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.551 -4.699 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.378 -6.441 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.023 -6.422 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.582 -4.789 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.365 -6.388 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.039 -5.642 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.497 -7.224 0.130 1.00 0.00 H new ATOM 366 N VAL A 22 6.655 -5.571 3.206 1.00 0.00 N ATOM 367 CA VAL A 22 6.507 -5.343 4.637 1.00 0.00 C ATOM 368 C VAL A 22 7.580 -4.389 5.152 1.00 0.00 C ATOM 369 O VAL A 22 8.762 -4.544 4.845 1.00 0.00 O ATOM 370 CB VAL A 22 6.582 -6.665 5.429 1.00 0.00 C ATOM 371 CG1 VAL A 22 7.932 -7.337 5.226 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.316 -6.421 6.907 1.00 0.00 C ATOM 0 H VAL A 22 6.803 -6.547 2.948 1.00 0.00 H new ATOM 0 HA VAL A 22 5.524 -4.896 4.788 1.00 0.00 H new ATOM 0 HB VAL A 22 5.810 -7.335 5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.964 -8.267 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.076 -7.552 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.724 -6.674 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.373 -7.366 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.062 -5.731 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.322 -5.991 7.032 1.00 0.00 H new ATOM 382 N GLY A 23 7.160 -3.400 5.933 1.00 0.00 N ATOM 383 CA GLY A 23 8.099 -2.435 6.472 1.00 0.00 C ATOM 384 C GLY A 23 8.288 -1.231 5.567 1.00 0.00 C ATOM 385 O GLY A 23 8.972 -0.276 5.934 1.00 0.00 O ATOM 0 H GLY A 23 6.188 -3.250 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.748 -2.099 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.062 -2.921 6.629 1.00 0.00 H new ATOM 389 N ASP A 24 7.684 -1.273 4.381 1.00 0.00 N ATOM 390 CA ASP A 24 7.796 -0.175 3.428 1.00 0.00 C ATOM 391 C ASP A 24 6.633 0.800 3.582 1.00 0.00 C ATOM 392 O ASP A 24 5.496 0.393 3.819 1.00 0.00 O ATOM 393 CB ASP A 24 7.839 -0.715 1.998 1.00 0.00 C ATOM 394 CG ASP A 24 8.720 0.121 1.090 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.800 0.554 1.545 1.00 0.00 O ATOM 396 OD2 ASP A 24 8.330 0.342 -0.076 1.00 0.00 O ATOM 0 H ASP A 24 7.113 -2.055 4.059 1.00 0.00 H new ATOM 0 HA ASP A 24 8.724 0.359 3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.206 -1.741 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.828 -0.743 1.593 1.00 0.00 H new ATOM 401 N ILE A 25 6.926 2.089 3.445 1.00 0.00 N ATOM 402 CA ILE A 25 5.904 3.122 3.571 1.00 0.00 C ATOM 403 C ILE A 25 5.360 3.527 2.206 1.00 0.00 C ATOM 404 O ILE A 25 6.115 3.922 1.317 1.00 0.00 O ATOM 405 CB ILE A 25 6.455 4.374 4.280 1.00 0.00 C ATOM 406 CG1 ILE A 25 7.199 3.980 5.558 1.00 0.00 C ATOM 407 CG2 ILE A 25 5.326 5.344 4.596 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.314 3.323 6.595 1.00 0.00 C ATOM 0 H ILE A 25 7.862 2.443 3.247 1.00 0.00 H new ATOM 0 HA ILE A 25 5.099 2.697 4.170 1.00 0.00 H new ATOM 0 HB ILE A 25 7.159 4.870 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.011 3.299 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.655 4.870 5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.731 6.223 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.837 5.647 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.600 4.858 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.908 3.071 7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.517 4.010 6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.878 2.415 6.179 1.00 0.00 H new ATOM 420 N ILE A 26 4.044 3.427 2.047 1.00 0.00 N ATOM 421 CA ILE A 26 3.396 3.784 0.791 1.00 0.00 C ATOM 422 C ILE A 26 2.451 4.965 0.980 1.00 0.00 C ATOM 423 O ILE A 26 1.719 5.036 1.967 1.00 0.00 O ATOM 424 CB ILE A 26 2.606 2.596 0.207 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.483 1.345 0.163 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.087 2.936 -1.182 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.350 0.469 1.390 1.00 0.00 C ATOM 0 H ILE A 26 3.406 3.101 2.773 1.00 0.00 H new ATOM 0 HA ILE A 26 4.187 4.061 0.094 1.00 0.00 H new ATOM 0 HB ILE A 26 1.751 2.395 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.224 0.761 -0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.525 1.645 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.531 2.087 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.430 3.804 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.927 3.161 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.001 -0.400 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.637 1.037 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.316 0.138 1.491 1.00 0.00 H new ATOM 439 N ASP A 27 2.473 5.892 0.028 1.00 0.00 N ATOM 440 CA ASP A 27 1.619 7.072 0.091 1.00 0.00 C ATOM 441 C ASP A 27 0.302 6.830 -0.638 1.00 0.00 C ATOM 442 O ASP A 27 0.285 6.560 -1.839 1.00 0.00 O ATOM 443 CB ASP A 27 2.336 8.280 -0.515 1.00 0.00 C ATOM 444 CG ASP A 27 1.933 9.583 0.146 1.00 0.00 C ATOM 445 OD1 ASP A 27 0.717 9.807 0.323 1.00 0.00 O ATOM 446 OD2 ASP A 27 2.833 10.379 0.488 1.00 0.00 O ATOM 0 H ASP A 27 3.073 5.849 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 27 1.401 7.276 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.413 8.145 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.115 8.333 -1.581 1.00 0.00 H new ATOM 451 N ILE A 28 -0.802 6.932 0.096 1.00 0.00 N ATOM 452 CA ILE A 28 -2.125 6.727 -0.481 1.00 0.00 C ATOM 453 C ILE A 28 -2.664 8.019 -1.084 1.00 0.00 C ATOM 454 O ILE A 28 -2.670 9.064 -0.434 1.00 0.00 O ATOM 455 CB ILE A 28 -3.125 6.204 0.569 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.081 7.071 1.830 1.00 0.00 C ATOM 457 CG2 ILE A 28 -2.826 4.752 0.908 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.223 6.805 2.785 1.00 0.00 C ATOM 0 H ILE A 28 -0.806 7.155 1.091 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.016 5.979 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.129 6.261 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.137 6.898 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.098 8.122 1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.541 4.397 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.907 4.144 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.816 4.673 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.128 7.454 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.170 7.006 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.195 5.763 3.105 1.00 0.00 H new ATOM 470 N ASN A 29 -3.112 7.943 -2.334 1.00 0.00 N ATOM 471 CA ASN A 29 -3.649 9.109 -3.025 1.00 0.00 C ATOM 472 C ASN A 29 -5.152 8.974 -3.245 1.00 0.00 C ATOM 473 O ASN A 29 -5.911 9.912 -3.002 1.00 0.00 O ATOM 474 CB ASN A 29 -2.942 9.300 -4.368 1.00 0.00 C ATOM 475 CG ASN A 29 -3.226 10.656 -4.983 1.00 0.00 C ATOM 476 OD1 ASN A 29 -3.975 11.459 -4.427 1.00 0.00 O ATOM 477 ND2 ASN A 29 -2.627 10.919 -6.139 1.00 0.00 N ATOM 0 H ASN A 29 -3.113 7.087 -2.888 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.472 9.983 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.867 9.185 -4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.260 8.518 -5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.780 11.816 -6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.014 10.224 -6.565 1.00 0.00 H new ATOM 484 N GLU A 30 -5.576 7.803 -3.710 1.00 0.00 N ATOM 485 CA GLU A 30 -6.990 7.550 -3.964 1.00 0.00 C ATOM 486 C GLU A 30 -7.379 6.139 -3.534 1.00 0.00 C ATOM 487 O GLU A 30 -6.584 5.205 -3.643 1.00 0.00 O ATOM 488 CB GLU A 30 -7.303 7.748 -5.449 1.00 0.00 C ATOM 489 CG GLU A 30 -8.781 7.617 -5.782 1.00 0.00 C ATOM 490 CD GLU A 30 -9.040 6.644 -6.916 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.296 6.688 -7.918 1.00 0.00 O ATOM 492 OE2 GLU A 30 -9.987 5.837 -6.801 1.00 0.00 O ATOM 0 H GLU A 30 -4.962 7.016 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.572 8.260 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.956 8.734 -5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.742 7.017 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.322 7.287 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.177 8.596 -6.051 1.00 0.00 H new ATOM 499 N GLU A 31 -8.607 5.992 -3.048 1.00 0.00 N ATOM 500 CA GLU A 31 -9.103 4.696 -2.603 1.00 0.00 C ATOM 501 C GLU A 31 -9.995 4.062 -3.666 1.00 0.00 C ATOM 502 O GLU A 31 -11.076 4.570 -3.966 1.00 0.00 O ATOM 503 CB GLU A 31 -9.878 4.845 -1.292 1.00 0.00 C ATOM 504 CG GLU A 31 -10.022 3.543 -0.520 1.00 0.00 C ATOM 505 CD GLU A 31 -11.440 3.304 -0.039 1.00 0.00 C ATOM 506 OE1 GLU A 31 -11.986 4.183 0.661 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.005 2.238 -0.363 1.00 0.00 O ATOM 0 H GLU A 31 -9.277 6.755 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.246 4.044 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.373 5.577 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.870 5.241 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.713 2.713 -1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.349 3.557 0.337 1.00 0.00 H new ATOM 514 N VAL A 32 -9.535 2.952 -4.233 1.00 0.00 N ATOM 515 CA VAL A 32 -10.291 2.251 -5.264 1.00 0.00 C ATOM 516 C VAL A 32 -11.648 1.797 -4.737 1.00 0.00 C ATOM 517 O VAL A 32 -12.690 2.292 -5.166 1.00 0.00 O ATOM 518 CB VAL A 32 -9.520 1.026 -5.791 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.245 0.408 -6.978 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.096 1.409 -6.167 1.00 0.00 C ATOM 0 H VAL A 32 -8.643 2.519 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.440 2.956 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.472 0.282 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.685 -0.456 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.242 0.093 -6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.327 1.144 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.568 0.530 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.118 2.173 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.580 1.799 -5.289 1.00 0.00 H new ATOM 530 N GLU A 33 -11.628 0.851 -3.803 1.00 0.00 N ATOM 531 CA GLU A 33 -12.858 0.330 -3.217 1.00 0.00 C ATOM 532 C GLU A 33 -12.552 -0.597 -2.045 1.00 0.00 C ATOM 533 O GLU A 33 -11.392 -0.794 -1.683 1.00 0.00 O ATOM 534 CB GLU A 33 -13.675 -0.417 -4.273 1.00 0.00 C ATOM 535 CG GLU A 33 -12.929 -1.578 -4.910 1.00 0.00 C ATOM 536 CD GLU A 33 -13.644 -2.132 -6.127 1.00 0.00 C ATOM 537 OE1 GLU A 33 -14.063 -1.329 -6.986 1.00 0.00 O ATOM 538 OE2 GLU A 33 -13.785 -3.370 -6.220 1.00 0.00 O ATOM 0 H GLU A 33 -10.774 0.430 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.440 1.174 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.590 -0.792 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.973 0.284 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.930 -1.249 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.803 -2.372 -4.174 1.00 0.00 H new ATOM 545 N GLU A 34 -13.600 -1.164 -1.456 1.00 0.00 N ATOM 546 CA GLU A 34 -13.443 -2.070 -0.324 1.00 0.00 C ATOM 547 C GLU A 34 -12.804 -3.384 -0.764 1.00 0.00 C ATOM 548 O GLU A 34 -13.478 -4.408 -0.874 1.00 0.00 O ATOM 549 CB GLU A 34 -14.800 -2.340 0.331 1.00 0.00 C ATOM 550 CG GLU A 34 -15.051 -1.506 1.577 1.00 0.00 C ATOM 551 CD GLU A 34 -15.657 -2.315 2.707 1.00 0.00 C ATOM 552 OE1 GLU A 34 -16.769 -2.853 2.522 1.00 0.00 O ATOM 553 OE2 GLU A 34 -15.020 -2.410 3.777 1.00 0.00 O ATOM 0 H GLU A 34 -14.567 -1.012 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.785 -1.594 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.590 -2.142 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.864 -3.396 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.111 -1.068 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.717 -0.680 1.329 1.00 0.00 H new ATOM 560 N GLY A 35 -11.499 -3.348 -1.013 1.00 0.00 N ATOM 561 CA GLY A 35 -10.791 -4.542 -1.436 1.00 0.00 C ATOM 562 C GLY A 35 -9.462 -4.227 -2.094 1.00 0.00 C ATOM 563 O GLY A 35 -8.531 -5.031 -2.042 1.00 0.00 O ATOM 0 H GLY A 35 -10.919 -2.513 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.622 -5.185 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.414 -5.102 -2.133 1.00 0.00 H new ATOM 567 N TRP A 36 -9.373 -3.056 -2.716 1.00 0.00 N ATOM 568 CA TRP A 36 -8.148 -2.638 -3.388 1.00 0.00 C ATOM 569 C TRP A 36 -7.817 -1.186 -3.059 1.00 0.00 C ATOM 570 O TRP A 36 -8.705 -0.336 -2.996 1.00 0.00 O ATOM 571 CB TRP A 36 -8.285 -2.813 -4.902 1.00 0.00 C ATOM 572 CG TRP A 36 -8.883 -4.128 -5.297 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.201 -4.389 -5.542 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.186 -5.364 -5.493 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.366 -5.710 -5.878 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.144 -6.330 -5.856 1.00 0.00 C ATOM 577 CE3 TRP A 36 -6.845 -5.747 -5.399 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.802 -7.654 -6.123 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.508 -7.061 -5.664 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.483 -8.000 -6.023 1.00 0.00 C ATOM 0 H TRP A 36 -10.135 -2.380 -2.769 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.334 -3.268 -3.030 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -8.903 -2.007 -5.299 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.301 -2.717 -5.362 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -10.997 -3.662 -5.480 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.254 -6.157 -6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.086 -5.029 -5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.552 -8.381 -6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.475 -7.369 -5.593 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.187 -9.019 -6.225 1.00 0.00 H new ATOM 591 N TRP A 37 -6.534 -0.909 -2.851 1.00 0.00 N ATOM 592 CA TRP A 37 -6.086 0.441 -2.527 1.00 0.00 C ATOM 593 C TRP A 37 -5.013 0.908 -3.506 1.00 0.00 C ATOM 594 O TRP A 37 -4.323 0.095 -4.121 1.00 0.00 O ATOM 595 CB TRP A 37 -5.548 0.493 -1.096 1.00 0.00 C ATOM 596 CG TRP A 37 -6.538 1.031 -0.109 1.00 0.00 C ATOM 597 CD1 TRP A 37 -7.889 0.835 -0.114 1.00 0.00 C ATOM 598 CD2 TRP A 37 -6.256 1.855 1.028 1.00 0.00 C ATOM 599 NE1 TRP A 37 -8.464 1.487 0.951 1.00 0.00 N ATOM 600 CE2 TRP A 37 -7.482 2.120 1.667 1.00 0.00 C ATOM 601 CE3 TRP A 37 -5.085 2.393 1.569 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -7.570 2.899 2.817 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -5.174 3.167 2.711 1.00 0.00 C ATOM 604 CH2 TRP A 37 -6.408 3.413 3.325 1.00 0.00 C ATOM 0 H TRP A 37 -5.786 -1.601 -2.901 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.942 1.111 -2.609 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.250 -0.510 -0.791 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.651 1.112 -1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.427 0.253 -0.847 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -9.460 1.498 1.172 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.128 2.207 1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -8.521 3.091 3.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.276 3.589 3.137 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.443 4.020 4.217 1.00 0.00 H new ATOM 615 N SER A 38 -4.879 2.224 -3.645 1.00 0.00 N ATOM 616 CA SER A 38 -3.891 2.801 -4.549 1.00 0.00 C ATOM 617 C SER A 38 -2.835 3.583 -3.773 1.00 0.00 C ATOM 618 O SER A 38 -3.158 4.350 -2.866 1.00 0.00 O ATOM 619 CB SER A 38 -4.575 3.716 -5.568 1.00 0.00 C ATOM 620 OG SER A 38 -4.697 3.076 -6.827 1.00 0.00 O ATOM 0 H SER A 38 -5.442 2.910 -3.143 1.00 0.00 H new ATOM 0 HA SER A 38 -3.397 1.985 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.562 3.998 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.001 4.636 -5.678 1.00 0.00 H new ATOM 0 HG SER A 38 -5.138 3.680 -7.460 1.00 0.00 H new ATOM 626 N GLY A 39 -1.573 3.383 -4.137 1.00 0.00 N ATOM 627 CA GLY A 39 -0.489 4.076 -3.466 1.00 0.00 C ATOM 628 C GLY A 39 0.749 4.192 -4.334 1.00 0.00 C ATOM 629 O GLY A 39 0.719 3.855 -5.517 1.00 0.00 O ATOM 0 H GLY A 39 -1.281 2.753 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.822 5.073 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.237 3.547 -2.547 1.00 0.00 H new ATOM 633 N THR A 40 1.840 4.671 -3.745 1.00 0.00 N ATOM 634 CA THR A 40 3.093 4.830 -4.474 1.00 0.00 C ATOM 635 C THR A 40 4.290 4.666 -3.543 1.00 0.00 C ATOM 636 O THR A 40 4.309 5.209 -2.438 1.00 0.00 O ATOM 637 CB THR A 40 3.142 6.201 -5.151 1.00 0.00 C ATOM 638 OG1 THR A 40 1.848 6.603 -5.562 1.00 0.00 O ATOM 639 CG2 THR A 40 4.042 6.236 -6.367 1.00 0.00 C ATOM 0 H THR A 40 1.882 4.955 -2.766 1.00 0.00 H new ATOM 0 HA THR A 40 3.141 4.053 -5.237 1.00 0.00 H new ATOM 0 HB THR A 40 3.547 6.880 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.900 7.482 -5.991 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.031 7.237 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.060 5.978 -6.074 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.684 5.518 -7.105 1.00 0.00 H new ATOM 647 N LEU A 41 5.287 3.914 -3.998 1.00 0.00 N ATOM 648 CA LEU A 41 6.489 3.678 -3.207 1.00 0.00 C ATOM 649 C LEU A 41 7.630 4.576 -3.672 1.00 0.00 C ATOM 650 O LEU A 41 7.971 5.557 -3.012 1.00 0.00 O ATOM 651 CB LEU A 41 6.907 2.209 -3.303 1.00 0.00 C ATOM 652 CG LEU A 41 6.008 1.228 -2.549 1.00 0.00 C ATOM 653 CD1 LEU A 41 4.575 1.325 -3.048 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.530 -0.193 -2.698 1.00 0.00 C ATOM 0 H LEU A 41 5.286 3.458 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 41 6.264 3.917 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.930 1.922 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.924 2.111 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 41 6.021 1.491 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.950 0.620 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.203 2.337 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.543 1.088 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.879 -0.879 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.546 -0.466 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.540 -0.254 -2.292 1.00 0.00 H new ATOM 666 N ASN A 42 8.217 4.234 -4.815 1.00 0.00 N ATOM 667 CA ASN A 42 9.320 5.009 -5.370 1.00 0.00 C ATOM 668 C ASN A 42 9.093 5.293 -6.851 1.00 0.00 C ATOM 669 O ASN A 42 9.629 4.600 -7.716 1.00 0.00 O ATOM 670 CB ASN A 42 10.642 4.263 -5.179 1.00 0.00 C ATOM 671 CG ASN A 42 11.100 4.259 -3.734 1.00 0.00 C ATOM 672 OD1 ASN A 42 11.372 3.205 -3.159 1.00 0.00 O ATOM 673 ND2 ASN A 42 11.188 5.443 -3.138 1.00 0.00 N ATOM 0 H ASN A 42 7.947 3.425 -5.374 1.00 0.00 H new ATOM 0 HA ASN A 42 9.367 5.960 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.529 3.235 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.410 4.725 -5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.491 5.503 -2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.953 6.292 -3.653 1.00 0.00 H new ATOM 680 N ASN A 43 8.294 6.316 -7.136 1.00 0.00 N ATOM 681 CA ASN A 43 7.993 6.692 -8.513 1.00 0.00 C ATOM 682 C ASN A 43 7.306 5.549 -9.255 1.00 0.00 C ATOM 683 O ASN A 43 7.362 5.472 -10.483 1.00 0.00 O ATOM 684 CB ASN A 43 9.275 7.093 -9.244 1.00 0.00 C ATOM 685 CG ASN A 43 9.060 8.256 -10.192 1.00 0.00 C ATOM 686 OD1 ASN A 43 8.474 9.274 -9.821 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.534 8.111 -11.424 1.00 0.00 N ATOM 0 H ASN A 43 7.843 6.900 -6.432 1.00 0.00 H new ATOM 0 HA ASN A 43 7.313 7.544 -8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.038 7.360 -8.513 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.654 6.237 -9.803 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.419 8.861 -12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.013 7.250 -11.688 1.00 0.00 H new ATOM 694 N LYS A 44 6.659 4.662 -8.504 1.00 0.00 N ATOM 695 CA LYS A 44 5.961 3.525 -9.094 1.00 0.00 C ATOM 696 C LYS A 44 4.520 3.456 -8.599 1.00 0.00 C ATOM 697 O LYS A 44 4.271 3.251 -7.411 1.00 0.00 O ATOM 698 CB LYS A 44 6.692 2.224 -8.759 1.00 0.00 C ATOM 699 CG LYS A 44 7.908 1.967 -9.636 1.00 0.00 C ATOM 700 CD LYS A 44 9.150 1.686 -8.804 1.00 0.00 C ATOM 701 CE LYS A 44 10.411 2.160 -9.509 1.00 0.00 C ATOM 702 NZ LYS A 44 11.643 1.648 -8.847 1.00 0.00 N ATOM 0 H LYS A 44 6.604 4.709 -7.487 1.00 0.00 H new ATOM 0 HA LYS A 44 5.948 3.658 -10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.006 2.251 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.998 1.390 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.711 1.120 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.086 2.832 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.063 2.184 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.223 0.617 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.393 1.829 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.432 3.250 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.481 1.993 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.674 1.984 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.636 0.608 -8.857 1.00 0.00 H new ATOM 716 N LEU A 45 3.575 3.627 -9.517 1.00 0.00 N ATOM 717 CA LEU A 45 2.159 3.582 -9.172 1.00 0.00 C ATOM 718 C LEU A 45 1.531 2.265 -9.617 1.00 0.00 C ATOM 719 O LEU A 45 1.884 1.719 -10.662 1.00 0.00 O ATOM 720 CB LEU A 45 1.418 4.757 -9.815 1.00 0.00 C ATOM 721 CG LEU A 45 0.287 5.348 -8.972 1.00 0.00 C ATOM 722 CD1 LEU A 45 0.206 6.854 -9.165 1.00 0.00 C ATOM 723 CD2 LEU A 45 -1.039 4.691 -9.327 1.00 0.00 C ATOM 0 H LEU A 45 3.764 3.798 -10.505 1.00 0.00 H new ATOM 0 HA LEU A 45 2.073 3.656 -8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.138 5.545 -10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.006 4.429 -10.769 1.00 0.00 H new ATOM 0 HG LEU A 45 0.500 5.149 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.605 7.256 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.148 7.311 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.017 7.077 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.833 5.123 -8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.258 4.859 -10.382 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.977 3.620 -9.136 1.00 0.00 H new ATOM 735 N GLY A 46 0.599 1.760 -8.815 1.00 0.00 N ATOM 736 CA GLY A 46 -0.063 0.511 -9.142 1.00 0.00 C ATOM 737 C GLY A 46 -1.268 0.247 -8.261 1.00 0.00 C ATOM 738 O GLY A 46 -1.806 1.165 -7.641 1.00 0.00 O ATOM 0 H GLY A 46 0.291 2.194 -7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.377 0.532 -10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.646 -0.311 -9.039 1.00 0.00 H new ATOM 742 N LEU A 47 -1.694 -1.011 -8.204 1.00 0.00 N ATOM 743 CA LEU A 47 -2.844 -1.392 -7.392 1.00 0.00 C ATOM 744 C LEU A 47 -2.573 -2.694 -6.644 1.00 0.00 C ATOM 745 O LEU A 47 -1.763 -3.514 -7.075 1.00 0.00 O ATOM 746 CB LEU A 47 -4.089 -1.543 -8.270 1.00 0.00 C ATOM 747 CG LEU A 47 -4.996 -0.309 -8.324 1.00 0.00 C ATOM 748 CD1 LEU A 47 -4.941 0.335 -9.701 1.00 0.00 C ATOM 749 CD2 LEU A 47 -6.427 -0.681 -7.965 1.00 0.00 C ATOM 0 H LEU A 47 -1.260 -1.783 -8.710 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.019 -0.603 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.773 -1.788 -9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.672 -2.389 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.635 0.414 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.591 1.209 -9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.917 0.639 -9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.275 -0.382 -10.451 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.056 0.208 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.798 -1.423 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.453 -1.095 -6.957 1.00 0.00 H new ATOM 761 N PHE A 48 -3.259 -2.877 -5.521 1.00 0.00 N ATOM 762 CA PHE A 48 -3.096 -4.081 -4.713 1.00 0.00 C ATOM 763 C PHE A 48 -4.215 -4.200 -3.681 1.00 0.00 C ATOM 764 O PHE A 48 -4.950 -3.243 -3.437 1.00 0.00 O ATOM 765 CB PHE A 48 -1.735 -4.082 -4.010 1.00 0.00 C ATOM 766 CG PHE A 48 -1.257 -2.717 -3.600 1.00 0.00 C ATOM 767 CD1 PHE A 48 -2.122 -1.814 -3.002 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.058 -2.338 -3.813 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.682 -0.559 -2.624 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.503 -1.085 -3.438 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.368 -0.194 -2.842 1.00 0.00 C ATOM 0 H PHE A 48 -3.933 -2.208 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.147 -4.940 -5.382 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.795 -4.715 -3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.995 -4.531 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.151 -2.094 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.744 -3.031 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.366 0.136 -2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.531 -0.802 -3.611 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.022 0.786 -2.547 1.00 0.00 H new ATOM 781 N PRO A 49 -4.361 -5.383 -3.061 1.00 0.00 N ATOM 782 CA PRO A 49 -5.398 -5.624 -2.053 1.00 0.00 C ATOM 783 C PRO A 49 -5.270 -4.685 -0.858 1.00 0.00 C ATOM 784 O PRO A 49 -4.243 -4.661 -0.181 1.00 0.00 O ATOM 785 CB PRO A 49 -5.157 -7.075 -1.619 1.00 0.00 C ATOM 786 CG PRO A 49 -4.370 -7.686 -2.728 1.00 0.00 C ATOM 787 CD PRO A 49 -3.532 -6.577 -3.295 1.00 0.00 C ATOM 0 HA PRO A 49 -6.397 -5.449 -2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.611 -7.119 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.099 -7.603 -1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.745 -8.500 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.028 -8.107 -3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.567 -6.503 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.329 -6.726 -4.356 1.00 0.00 H new ATOM 795 N SER A 50 -6.322 -3.913 -0.605 1.00 0.00 N ATOM 796 CA SER A 50 -6.329 -2.971 0.509 1.00 0.00 C ATOM 797 C SER A 50 -6.178 -3.698 1.844 1.00 0.00 C ATOM 798 O SER A 50 -5.788 -3.097 2.846 1.00 0.00 O ATOM 799 CB SER A 50 -7.622 -2.155 0.505 1.00 0.00 C ATOM 800 OG SER A 50 -8.738 -2.964 0.834 1.00 0.00 O ATOM 0 H SER A 50 -7.180 -3.921 -1.156 1.00 0.00 H new ATOM 0 HA SER A 50 -5.480 -2.298 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.540 -1.335 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.770 -1.708 -0.478 1.00 0.00 H new ATOM 0 HG SER A 50 -9.552 -2.418 0.826 1.00 0.00 H new ATOM 806 N ASN A 51 -6.491 -4.990 1.853 1.00 0.00 N ATOM 807 CA ASN A 51 -6.392 -5.792 3.067 1.00 0.00 C ATOM 808 C ASN A 51 -4.952 -5.857 3.566 1.00 0.00 C ATOM 809 O ASN A 51 -4.708 -5.972 4.767 1.00 0.00 O ATOM 810 CB ASN A 51 -6.919 -7.205 2.814 1.00 0.00 C ATOM 811 CG ASN A 51 -8.395 -7.219 2.464 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.767 -7.348 1.298 1.00 0.00 O ATOM 813 ND2 ASN A 51 -9.244 -7.084 3.476 1.00 0.00 N ATOM 0 H ASN A 51 -6.815 -5.504 1.033 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.001 -5.315 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.352 -7.661 2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.753 -7.816 3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.249 -7.085 3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.891 -6.980 4.427 1.00 0.00 H new ATOM 820 N PHE A 52 -4.002 -5.784 2.639 1.00 0.00 N ATOM 821 CA PHE A 52 -2.588 -5.838 2.993 1.00 0.00 C ATOM 822 C PHE A 52 -2.190 -4.614 3.821 1.00 0.00 C ATOM 823 O PHE A 52 -2.274 -4.648 5.047 1.00 0.00 O ATOM 824 CB PHE A 52 -1.726 -5.940 1.731 1.00 0.00 C ATOM 825 CG PHE A 52 -1.278 -7.340 1.422 1.00 0.00 C ATOM 826 CD1 PHE A 52 -0.117 -7.849 1.980 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.019 -8.147 0.573 1.00 0.00 C ATOM 828 CE1 PHE A 52 0.298 -9.137 1.696 1.00 0.00 C ATOM 829 CE2 PHE A 52 -1.609 -9.435 0.285 1.00 0.00 C ATOM 830 CZ PHE A 52 -0.449 -9.930 0.848 1.00 0.00 C ATOM 0 H PHE A 52 -4.185 -5.688 1.640 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.419 -6.727 3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.290 -5.552 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.849 -5.304 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.471 -7.233 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.927 -7.765 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.205 -9.522 2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.195 -10.053 -0.379 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.127 -10.936 0.625 1.00 0.00 H new ATOM 840 N VAL A 53 -1.756 -3.545 3.136 1.00 0.00 N ATOM 841 CA VAL A 53 -1.340 -2.285 3.775 1.00 0.00 C ATOM 842 C VAL A 53 -1.823 -2.154 5.219 1.00 0.00 C ATOM 843 O VAL A 53 -2.922 -2.592 5.560 1.00 0.00 O ATOM 844 CB VAL A 53 -1.841 -1.068 2.976 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.176 -1.017 1.609 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.355 -1.104 2.839 1.00 0.00 C ATOM 0 H VAL A 53 -1.683 -3.529 2.119 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.250 -2.309 3.784 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.571 -0.163 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.542 -0.150 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.096 -0.939 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.413 -1.925 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.690 -0.236 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.652 -2.014 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.810 -1.088 3.829 1.00 0.00 H new ATOM 856 N LYS A 54 -1.006 -1.529 6.061 1.00 0.00 N ATOM 857 CA LYS A 54 -1.372 -1.337 7.458 1.00 0.00 C ATOM 858 C LYS A 54 -1.186 0.113 7.894 1.00 0.00 C ATOM 859 O LYS A 54 -0.072 0.631 7.906 1.00 0.00 O ATOM 860 CB LYS A 54 -0.562 -2.266 8.363 1.00 0.00 C ATOM 861 CG LYS A 54 -1.394 -2.926 9.450 1.00 0.00 C ATOM 862 CD LYS A 54 -0.559 -3.244 10.679 1.00 0.00 C ATOM 863 CE LYS A 54 -0.489 -2.059 11.628 1.00 0.00 C ATOM 864 NZ LYS A 54 -0.233 -2.483 13.033 1.00 0.00 N ATOM 0 H LYS A 54 -0.095 -1.150 5.803 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.429 -1.584 7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.095 -3.039 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.244 -1.697 8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.217 -2.268 9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.837 -3.844 9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.986 -4.102 11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.448 -3.526 10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.301 -1.382 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.425 -1.502 11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.193 -1.644 13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.000 -3.109 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.673 -2.992 13.082 1.00 0.00 H new ATOM 878 N GLU A 55 -2.288 0.760 8.261 1.00 0.00 N ATOM 879 CA GLU A 55 -2.246 2.148 8.705 1.00 0.00 C ATOM 880 C GLU A 55 -1.758 2.241 10.147 1.00 0.00 C ATOM 881 O GLU A 55 -2.173 1.461 11.005 1.00 0.00 O ATOM 882 CB GLU A 55 -3.630 2.788 8.579 1.00 0.00 C ATOM 883 CG GLU A 55 -4.695 2.106 9.424 1.00 0.00 C ATOM 884 CD GLU A 55 -5.232 3.002 10.523 1.00 0.00 C ATOM 885 OE1 GLU A 55 -4.432 3.441 11.375 1.00 0.00 O ATOM 886 OE2 GLU A 55 -6.454 3.263 10.532 1.00 0.00 O ATOM 0 H GLU A 55 -3.220 0.345 8.260 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.546 2.688 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.564 3.837 8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.938 2.765 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.518 1.793 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.277 1.203 9.869 1.00 0.00 H new ATOM 893 N LEU A 56 -0.871 3.197 10.407 1.00 0.00 N ATOM 894 CA LEU A 56 -0.324 3.388 11.745 1.00 0.00 C ATOM 895 C LEU A 56 -1.311 4.136 12.638 1.00 0.00 C ATOM 896 O LEU A 56 -2.018 3.527 13.441 1.00 0.00 O ATOM 897 CB LEU A 56 1.002 4.149 11.672 1.00 0.00 C ATOM 898 CG LEU A 56 2.167 3.363 11.068 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.404 4.241 10.959 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.463 2.124 11.901 1.00 0.00 C ATOM 0 H LEU A 56 -0.516 3.851 9.709 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.146 2.405 12.182 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.852 5.055 11.085 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.279 4.464 12.678 1.00 0.00 H new ATOM 0 HG LEU A 56 1.883 3.044 10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.222 3.665 10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.187 5.098 10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.690 4.591 11.951 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.294 1.577 11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.726 2.422 12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.581 1.484 11.928 1.00 0.00 H new