USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.00585 K(o=0.0058,f=-1.1) USER MOD Single : A 12 THR OG1 : rot -63:sc= 0.0265 USER MOD Single : A 26 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -15:sc= 0.19 USER MOD Single : A 31 SER OG : rot 73:sc= 0.199 USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0701 (180deg=-0.485) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0.83 (180deg=0.824) USER MOD Single : A 43 MET CE :methyl -132:sc= -0.979 (180deg=-2.42!) USER MOD Single : A 46 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.8!) USER MOD Single : A 52 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 160:sc= 0.14 USER MOD Single : A 63 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 1.999 1.145 -14.436 1.00 0.00 N ATOM 2 CA ASN A 7 1.307 1.374 -13.221 1.00 0.00 C ATOM 3 C ASN A 7 0.403 0.190 -13.002 1.00 0.00 C ATOM 4 O ASN A 7 -0.736 0.175 -13.455 1.00 0.00 O ATOM 5 CB ASN A 7 0.509 2.693 -13.270 1.00 0.00 C ATOM 6 CG ASN A 7 -0.221 3.026 -11.974 1.00 0.00 C ATOM 7 OD1 ASN A 7 0.328 3.692 -11.096 1.00 0.00 O ATOM 8 ND2 ASN A 7 -1.454 2.597 -11.856 1.00 0.00 N ATOM 0 HA ASN A 7 2.008 1.477 -12.393 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.190 3.509 -13.511 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.218 2.636 -14.080 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.991 2.813 -11.016 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.877 2.047 -12.604 1.00 0.00 H new ATOM 15 N ARG A 8 0.966 -0.850 -12.443 1.00 0.00 N ATOM 16 CA ARG A 8 0.227 -2.054 -12.148 1.00 0.00 C ATOM 17 C ARG A 8 -0.414 -1.858 -10.799 1.00 0.00 C ATOM 18 O ARG A 8 0.286 -1.827 -9.789 1.00 0.00 O ATOM 19 CB ARG A 8 1.173 -3.263 -12.130 1.00 0.00 C ATOM 20 CG ARG A 8 0.489 -4.614 -11.960 1.00 0.00 C ATOM 21 CD ARG A 8 -0.490 -4.891 -13.092 1.00 0.00 C ATOM 22 NE ARG A 8 -1.005 -6.266 -13.049 1.00 0.00 N ATOM 23 CZ ARG A 8 -2.095 -6.710 -13.693 1.00 0.00 C ATOM 24 NH1 ARG A 8 -2.859 -5.870 -14.384 1.00 0.00 N ATOM 25 NH2 ARG A 8 -2.418 -8.003 -13.637 1.00 0.00 N ATOM 0 H ARG A 8 1.950 -0.888 -12.179 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.532 -2.245 -12.907 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.741 -3.275 -13.060 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.891 -3.132 -11.320 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.241 -5.402 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.039 -4.638 -11.007 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.322 -4.190 -13.031 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.003 -4.718 -14.049 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.491 -6.940 -12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.618 -4.880 -14.427 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.686 -6.216 -14.871 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.837 -8.651 -13.106 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.246 -8.343 -14.126 1.00 0.00 H new ATOM 39 N PRO A 9 -1.735 -1.681 -10.767 1.00 0.00 N ATOM 40 CA PRO A 9 -2.433 -1.322 -9.564 1.00 0.00 C ATOM 41 C PRO A 9 -2.666 -2.479 -8.607 1.00 0.00 C ATOM 42 O PRO A 9 -2.507 -3.673 -8.948 1.00 0.00 O ATOM 43 CB PRO A 9 -3.778 -0.752 -10.061 1.00 0.00 C ATOM 44 CG PRO A 9 -3.751 -0.869 -11.552 1.00 0.00 C ATOM 45 CD PRO A 9 -2.662 -1.840 -11.887 1.00 0.00 C ATOM 0 HA PRO A 9 -1.840 -0.616 -8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.616 -1.308 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.899 0.287 -9.753 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.711 -1.219 -11.930 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.561 0.100 -12.013 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.038 -2.861 -11.960 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.189 -1.605 -12.841 1.00 0.00 H new ATOM 53 N GLY A 10 -3.046 -2.100 -7.417 1.00 0.00 N ATOM 54 CA GLY A 10 -3.358 -2.983 -6.381 1.00 0.00 C ATOM 55 C GLY A 10 -2.183 -3.715 -5.798 1.00 0.00 C ATOM 56 O GLY A 10 -1.049 -3.616 -6.261 1.00 0.00 O ATOM 0 H GLY A 10 -3.144 -1.119 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.852 -2.426 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.076 -3.715 -6.751 1.00 0.00 H new ATOM 60 N ILE A 11 -2.458 -4.415 -4.744 1.00 0.00 N ATOM 61 CA ILE A 11 -1.502 -5.251 -4.109 1.00 0.00 C ATOM 62 C ILE A 11 -1.387 -6.512 -4.952 1.00 0.00 C ATOM 63 O ILE A 11 -2.057 -7.498 -4.695 1.00 0.00 O ATOM 64 CB ILE A 11 -1.956 -5.630 -2.664 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.329 -4.366 -1.864 1.00 0.00 C ATOM 66 CG2 ILE A 11 -0.874 -6.435 -1.932 1.00 0.00 C ATOM 67 CD1 ILE A 11 -2.837 -4.654 -0.477 1.00 0.00 C ATOM 0 H ILE A 11 -3.374 -4.418 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.547 -4.732 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.841 -6.261 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.454 -3.720 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.091 -3.812 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.221 -6.683 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.669 -7.353 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.038 -5.841 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.079 -3.717 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.732 -5.274 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.069 -5.181 0.090 1.00 0.00 H new ATOM 79 N THR A 12 -0.597 -6.445 -5.997 1.00 0.00 N ATOM 80 CA THR A 12 -0.430 -7.548 -6.934 1.00 0.00 C ATOM 81 C THR A 12 0.443 -8.685 -6.317 1.00 0.00 C ATOM 82 O THR A 12 0.828 -9.635 -6.995 1.00 0.00 O ATOM 83 CB THR A 12 0.229 -7.008 -8.215 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.199 -5.646 -8.414 1.00 0.00 O ATOM 85 CG2 THR A 12 -0.197 -7.820 -9.427 1.00 0.00 C ATOM 0 H THR A 12 -0.044 -5.620 -6.229 1.00 0.00 H new ATOM 0 HA THR A 12 -1.407 -7.973 -7.164 1.00 0.00 H new ATOM 0 HB THR A 12 1.311 -7.072 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.168 -5.625 -8.559 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.282 -7.419 -10.320 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.101 -8.860 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.280 -7.764 -9.540 1.00 0.00 H new ATOM 93 N PHE A 13 0.741 -8.545 -5.016 1.00 0.00 N ATOM 94 CA PHE A 13 1.508 -9.508 -4.214 1.00 0.00 C ATOM 95 C PHE A 13 2.970 -9.582 -4.620 1.00 0.00 C ATOM 96 O PHE A 13 3.704 -10.487 -4.203 1.00 0.00 O ATOM 97 CB PHE A 13 0.847 -10.903 -4.192 1.00 0.00 C ATOM 98 CG PHE A 13 -0.519 -10.914 -3.559 1.00 0.00 C ATOM 99 CD1 PHE A 13 -0.658 -11.008 -2.186 1.00 0.00 C ATOM 100 CD2 PHE A 13 -1.661 -10.827 -4.338 1.00 0.00 C ATOM 101 CE1 PHE A 13 -1.905 -11.014 -1.599 1.00 0.00 C ATOM 102 CE2 PHE A 13 -2.912 -10.832 -3.758 1.00 0.00 C ATOM 103 CZ PHE A 13 -3.035 -10.927 -2.385 1.00 0.00 C ATOM 0 H PHE A 13 0.445 -7.732 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 13 1.492 -9.128 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.768 -11.274 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.494 -11.594 -3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.223 -11.078 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.571 -10.754 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.997 -11.087 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.795 -10.762 -4.376 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.014 -10.933 -1.928 1.00 0.00 H new ATOM 113 N GLU A 14 3.404 -8.614 -5.374 1.00 0.00 N ATOM 114 CA GLU A 14 4.776 -8.531 -5.787 1.00 0.00 C ATOM 115 C GLU A 14 5.391 -7.257 -5.286 1.00 0.00 C ATOM 116 O GLU A 14 4.812 -6.172 -5.443 1.00 0.00 O ATOM 117 CB GLU A 14 4.929 -8.602 -7.305 1.00 0.00 C ATOM 118 CG GLU A 14 4.517 -9.920 -7.923 1.00 0.00 C ATOM 119 CD GLU A 14 4.872 -9.985 -9.377 1.00 0.00 C ATOM 120 OE1 GLU A 14 6.075 -10.190 -9.703 1.00 0.00 O ATOM 121 OE2 GLU A 14 3.977 -9.839 -10.236 1.00 0.00 O ATOM 0 H GLU A 14 2.815 -7.857 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 14 5.291 -9.390 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.336 -7.805 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.970 -8.407 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.004 -10.739 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.442 -10.057 -7.804 1.00 0.00 H new ATOM 128 N ILE A 15 6.522 -7.383 -4.643 1.00 0.00 N ATOM 129 CA ILE A 15 7.293 -6.240 -4.233 1.00 0.00 C ATOM 130 C ILE A 15 7.683 -5.445 -5.481 1.00 0.00 C ATOM 131 O ILE A 15 8.315 -5.987 -6.412 1.00 0.00 O ATOM 132 CB ILE A 15 8.548 -6.670 -3.422 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.112 -7.281 -2.074 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.507 -5.495 -3.210 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.248 -7.840 -1.240 1.00 0.00 C ATOM 0 H ILE A 15 6.934 -8.281 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 15 6.694 -5.612 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 15 9.088 -7.425 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.594 -6.517 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.393 -8.077 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.373 -5.831 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.835 -5.114 -4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.997 -4.703 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.850 -8.249 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.754 -8.629 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.958 -7.045 -1.012 1.00 0.00 H new ATOM 147 N GLY A 16 7.270 -4.209 -5.516 1.00 0.00 N ATOM 148 CA GLY A 16 7.487 -3.377 -6.662 1.00 0.00 C ATOM 149 C GLY A 16 6.185 -2.985 -7.327 1.00 0.00 C ATOM 150 O GLY A 16 6.170 -2.116 -8.207 1.00 0.00 O ATOM 0 H GLY A 16 6.774 -3.752 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.027 -2.479 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.117 -3.903 -7.379 1.00 0.00 H new ATOM 154 N ALA A 17 5.091 -3.626 -6.925 1.00 0.00 N ATOM 155 CA ALA A 17 3.783 -3.324 -7.494 1.00 0.00 C ATOM 156 C ALA A 17 3.206 -2.053 -6.897 1.00 0.00 C ATOM 157 O ALA A 17 3.593 -1.643 -5.781 1.00 0.00 O ATOM 158 CB ALA A 17 2.825 -4.490 -7.326 1.00 0.00 C ATOM 0 H ALA A 17 5.085 -4.354 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 17 3.919 -3.159 -8.563 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.859 -4.233 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.228 -5.368 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.699 -4.708 -6.265 1.00 0.00 H new ATOM 164 N ARG A 18 2.272 -1.444 -7.617 1.00 0.00 N ATOM 165 CA ARG A 18 1.712 -0.175 -7.225 1.00 0.00 C ATOM 166 C ARG A 18 0.369 -0.388 -6.562 1.00 0.00 C ATOM 167 O ARG A 18 -0.667 -0.397 -7.214 1.00 0.00 O ATOM 168 CB ARG A 18 1.586 0.784 -8.426 1.00 0.00 C ATOM 169 CG ARG A 18 2.869 0.920 -9.228 1.00 0.00 C ATOM 170 CD ARG A 18 4.012 1.474 -8.392 1.00 0.00 C ATOM 171 NE ARG A 18 5.306 1.288 -9.067 1.00 0.00 N ATOM 172 CZ ARG A 18 6.409 2.002 -8.854 1.00 0.00 C ATOM 173 NH1 ARG A 18 6.349 3.175 -8.239 1.00 0.00 N ATOM 174 NH2 ARG A 18 7.569 1.570 -9.321 1.00 0.00 N ATOM 0 H ARG A 18 1.889 -1.821 -8.484 1.00 0.00 H new ATOM 0 HA ARG A 18 2.390 0.291 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.792 0.429 -9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.286 1.768 -8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.152 -0.054 -9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.694 1.575 -10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.847 2.535 -8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.030 0.977 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 18 5.363 0.544 -9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.450 3.540 -7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.201 3.713 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.615 0.694 -9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.417 2.113 -9.161 1.00 0.00 H new ATOM 188 N LEU A 19 0.393 -0.545 -5.269 1.00 0.00 N ATOM 189 CA LEU A 19 -0.818 -0.870 -4.535 1.00 0.00 C ATOM 190 C LEU A 19 -1.602 0.389 -4.251 1.00 0.00 C ATOM 191 O LEU A 19 -1.037 1.498 -4.281 1.00 0.00 O ATOM 192 CB LEU A 19 -0.528 -1.679 -3.243 1.00 0.00 C ATOM 193 CG LEU A 19 0.024 -0.953 -2.001 1.00 0.00 C ATOM 194 CD1 LEU A 19 0.321 -1.940 -0.920 1.00 0.00 C ATOM 195 CD2 LEU A 19 1.261 -0.197 -2.289 1.00 0.00 C ATOM 0 H LEU A 19 1.231 -0.456 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.427 -1.522 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.456 -2.169 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.180 -2.466 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.746 -0.248 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.711 -1.417 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.593 -2.468 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.062 -2.656 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.607 0.295 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.031 -0.881 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.059 0.553 -3.053 1.00 0.00 H new ATOM 207 N GLU A 20 -2.873 0.260 -3.962 1.00 0.00 N ATOM 208 CA GLU A 20 -3.670 1.437 -3.797 1.00 0.00 C ATOM 209 C GLU A 20 -3.792 1.807 -2.345 1.00 0.00 C ATOM 210 O GLU A 20 -4.406 1.091 -1.563 1.00 0.00 O ATOM 211 CB GLU A 20 -5.034 1.273 -4.460 1.00 0.00 C ATOM 212 CG GLU A 20 -4.971 1.140 -5.977 1.00 0.00 C ATOM 213 CD GLU A 20 -6.334 1.209 -6.634 1.00 0.00 C ATOM 214 OE1 GLU A 20 -6.804 2.329 -6.917 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.946 0.160 -6.903 1.00 0.00 O ATOM 0 H GLU A 20 -3.363 -0.626 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.165 2.262 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.524 0.391 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.656 2.131 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.339 1.932 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.497 0.192 -6.234 1.00 0.00 H new ATOM 222 N ALA A 21 -3.179 2.901 -1.986 1.00 0.00 N ATOM 223 CA ALA A 21 -3.212 3.368 -0.632 1.00 0.00 C ATOM 224 C ALA A 21 -4.024 4.634 -0.542 1.00 0.00 C ATOM 225 O ALA A 21 -3.815 5.563 -1.317 1.00 0.00 O ATOM 226 CB ALA A 21 -1.806 3.613 -0.140 1.00 0.00 C ATOM 0 H ALA A 21 -2.644 3.491 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.678 2.609 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.838 3.968 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.237 2.684 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.326 4.364 -0.768 1.00 0.00 H new ATOM 232 N LEU A 22 -4.945 4.661 0.379 1.00 0.00 N ATOM 233 CA LEU A 22 -5.767 5.819 0.606 1.00 0.00 C ATOM 234 C LEU A 22 -5.101 6.591 1.636 1.00 0.00 C ATOM 235 O LEU A 22 -4.396 6.010 2.434 1.00 0.00 O ATOM 236 CB LEU A 22 -7.199 5.424 1.108 1.00 0.00 C ATOM 237 CG LEU A 22 -8.318 6.510 1.182 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.664 5.865 1.375 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.133 7.504 2.302 1.00 0.00 C ATOM 0 H LEU A 22 -5.149 3.876 0.998 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.892 6.377 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.562 4.625 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.089 5.001 2.106 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.255 7.046 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.433 6.636 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.872 5.199 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.664 5.293 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.950 8.225 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.130 6.979 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.185 8.026 2.172 1.00 0.00 H new ATOM 251 N ASP A 23 -5.186 7.884 1.485 1.00 0.00 N ATOM 252 CA ASP A 23 -4.930 8.883 2.542 1.00 0.00 C ATOM 253 C ASP A 23 -4.482 10.079 1.851 1.00 0.00 C ATOM 254 O ASP A 23 -4.790 10.207 0.605 1.00 0.00 O ATOM 255 CB ASP A 23 -3.874 8.467 3.572 1.00 0.00 C ATOM 256 CG ASP A 23 -4.037 9.117 4.967 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.651 10.285 5.142 1.00 0.00 O ATOM 258 OD2 ASP A 23 -4.581 8.475 5.897 1.00 0.00 O ATOM 0 H ASP A 23 -5.444 8.310 0.595 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.845 9.021 3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.905 7.383 3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.888 8.719 3.182 1.00 0.00 H new ATOM 263 N TYR A 24 -3.850 10.970 2.634 1.00 0.00 N ATOM 264 CA TYR A 24 -3.195 12.195 2.282 1.00 0.00 C ATOM 265 C TYR A 24 -4.133 13.157 1.599 1.00 0.00 C ATOM 266 O TYR A 24 -4.539 14.168 2.166 1.00 0.00 O ATOM 267 CB TYR A 24 -1.967 11.883 1.446 1.00 0.00 C ATOM 268 CG TYR A 24 -0.754 12.687 1.817 1.00 0.00 C ATOM 269 CD1 TYR A 24 0.021 12.316 2.906 1.00 0.00 C ATOM 270 CD2 TYR A 24 -0.373 13.802 1.095 1.00 0.00 C ATOM 271 CE1 TYR A 24 1.135 13.033 3.265 1.00 0.00 C ATOM 272 CE2 TYR A 24 0.746 14.525 1.448 1.00 0.00 C ATOM 273 CZ TYR A 24 1.495 14.134 2.535 1.00 0.00 C ATOM 274 OH TYR A 24 2.605 14.865 2.903 1.00 0.00 O ATOM 0 H TYR A 24 -3.792 10.809 3.640 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.871 12.701 3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.732 10.823 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -2.200 12.060 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.258 11.446 3.482 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.960 14.111 0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.724 12.731 4.118 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.034 15.394 0.875 1.00 0.00 H new ATOM 0 HH TYR A 24 2.724 15.614 2.282 1.00 0.00 H new ATOM 284 N LEU A 25 -4.510 12.803 0.427 1.00 0.00 N ATOM 285 CA LEU A 25 -5.389 13.572 -0.384 1.00 0.00 C ATOM 286 C LEU A 25 -6.756 12.884 -0.325 1.00 0.00 C ATOM 287 O LEU A 25 -7.701 13.305 -0.991 1.00 0.00 O ATOM 288 CB LEU A 25 -4.888 13.607 -1.869 1.00 0.00 C ATOM 289 CG LEU A 25 -3.370 13.727 -2.157 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.737 14.865 -1.389 1.00 0.00 C ATOM 291 CD2 LEU A 25 -2.636 12.402 -1.907 1.00 0.00 C ATOM 0 H LEU A 25 -4.205 11.936 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.437 14.600 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.242 12.698 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.382 14.445 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.268 13.959 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.673 14.913 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.212 15.804 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.869 14.700 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.575 12.528 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.764 12.106 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.047 11.630 -2.557 1.00 0.00 H new ATOM 303 N GLN A 26 -6.818 11.769 0.453 1.00 0.00 N ATOM 304 CA GLN A 26 -7.992 10.960 0.631 1.00 0.00 C ATOM 305 C GLN A 26 -8.345 10.264 -0.593 1.00 0.00 C ATOM 306 O GLN A 26 -9.511 10.190 -1.001 1.00 0.00 O ATOM 307 CB GLN A 26 -9.150 11.691 1.209 1.00 0.00 C ATOM 308 CG GLN A 26 -9.266 11.516 2.700 1.00 0.00 C ATOM 309 CD GLN A 26 -8.030 11.963 3.441 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.916 13.113 3.834 1.00 0.00 O ATOM 311 NE2 GLN A 26 -7.087 11.065 3.625 1.00 0.00 N ATOM 0 H GLN A 26 -6.014 11.423 0.976 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.726 10.214 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.055 12.752 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.067 11.342 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.125 12.082 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.458 10.467 2.924 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.216 10.113 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.227 11.321 4.110 1.00 0.00 H new ATOM 320 N LYS A 27 -7.359 9.715 -1.171 1.00 0.00 N ATOM 321 CA LYS A 27 -7.546 9.000 -2.383 1.00 0.00 C ATOM 322 C LYS A 27 -6.707 7.812 -2.336 1.00 0.00 C ATOM 323 O LYS A 27 -5.788 7.752 -1.493 1.00 0.00 O ATOM 324 CB LYS A 27 -7.183 9.853 -3.580 1.00 0.00 C ATOM 325 CG LYS A 27 -5.890 10.573 -3.390 1.00 0.00 C ATOM 326 CD LYS A 27 -5.338 11.170 -4.678 1.00 0.00 C ATOM 327 CE LYS A 27 -5.003 10.101 -5.712 1.00 0.00 C ATOM 328 NZ LYS A 27 -4.457 10.690 -6.950 1.00 0.00 N ATOM 0 H LYS A 27 -6.398 9.741 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.595 8.723 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.118 9.222 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.977 10.578 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.030 11.370 -2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.156 9.883 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.068 11.862 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.442 11.749 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.279 9.402 -5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.900 9.528 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.241 9.932 -7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.157 11.338 -7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.587 11.216 -6.730 1.00 0.00 H new ATOM 342 N TRP A 28 -7.020 6.878 -3.190 1.00 0.00 N ATOM 343 CA TRP A 28 -6.287 5.670 -3.317 1.00 0.00 C ATOM 344 C TRP A 28 -5.216 5.887 -4.366 1.00 0.00 C ATOM 345 O TRP A 28 -5.455 5.748 -5.570 1.00 0.00 O ATOM 346 CB TRP A 28 -7.219 4.532 -3.716 1.00 0.00 C ATOM 347 CG TRP A 28 -8.340 4.277 -2.737 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.588 4.822 -2.736 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.286 3.419 -1.616 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.323 4.305 -1.693 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.538 3.442 -0.989 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.305 2.634 -1.099 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.816 2.679 0.152 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.564 1.894 0.015 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.803 1.907 0.637 1.00 0.00 C ATOM 0 H TRP A 28 -7.813 6.947 -3.828 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.825 5.398 -2.368 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.649 4.755 -4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.633 3.619 -3.826 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.947 5.551 -3.447 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.295 4.531 -1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.332 2.597 -1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.787 2.701 0.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.779 1.277 0.427 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.967 1.299 1.515 1.00 0.00 H new ATOM 366 N TYR A 29 -4.084 6.302 -3.920 1.00 0.00 N ATOM 367 CA TYR A 29 -2.989 6.650 -4.780 1.00 0.00 C ATOM 368 C TYR A 29 -2.005 5.490 -4.887 1.00 0.00 C ATOM 369 O TYR A 29 -1.793 4.743 -3.901 1.00 0.00 O ATOM 370 CB TYR A 29 -2.334 7.978 -4.301 1.00 0.00 C ATOM 371 CG TYR A 29 -2.017 8.024 -2.829 1.00 0.00 C ATOM 372 CD1 TYR A 29 -0.955 7.321 -2.273 1.00 0.00 C ATOM 373 CD2 TYR A 29 -2.800 8.770 -1.993 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.704 7.378 -0.922 1.00 0.00 C ATOM 375 CE2 TYR A 29 -2.554 8.830 -0.658 1.00 0.00 C ATOM 376 CZ TYR A 29 -1.509 8.141 -0.121 1.00 0.00 C ATOM 377 OH TYR A 29 -1.276 8.214 1.226 1.00 0.00 O ATOM 0 H TYR A 29 -3.880 6.415 -2.927 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.355 6.831 -5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.414 8.138 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.002 8.805 -4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.319 6.723 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.632 9.324 -2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.121 6.825 -0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.190 9.426 -0.020 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.667 7.494 1.492 1.00 0.00 H new ATOM 387 N PRO A 30 -1.444 5.280 -6.088 1.00 0.00 N ATOM 388 CA PRO A 30 -0.502 4.198 -6.349 1.00 0.00 C ATOM 389 C PRO A 30 0.762 4.334 -5.519 1.00 0.00 C ATOM 390 O PRO A 30 1.549 5.280 -5.675 1.00 0.00 O ATOM 391 CB PRO A 30 -0.192 4.328 -7.845 1.00 0.00 C ATOM 392 CG PRO A 30 -1.322 5.127 -8.388 1.00 0.00 C ATOM 393 CD PRO A 30 -1.692 6.077 -7.300 1.00 0.00 C ATOM 0 HA PRO A 30 -0.915 3.225 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.763 4.826 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.129 3.351 -8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.028 5.660 -9.292 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.163 4.487 -8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.082 6.980 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.733 6.393 -7.373 1.00 0.00 H new ATOM 401 N SER A 31 0.911 3.429 -4.628 1.00 0.00 N ATOM 402 CA SER A 31 2.018 3.372 -3.744 1.00 0.00 C ATOM 403 C SER A 31 2.795 2.092 -4.043 1.00 0.00 C ATOM 404 O SER A 31 2.400 1.353 -4.915 1.00 0.00 O ATOM 405 CB SER A 31 1.465 3.424 -2.333 1.00 0.00 C ATOM 406 OG SER A 31 0.783 4.657 -2.136 1.00 0.00 O ATOM 0 H SER A 31 0.239 2.675 -4.486 1.00 0.00 H new ATOM 0 HA SER A 31 2.712 4.204 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.784 2.589 -2.167 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.274 3.324 -1.610 1.00 0.00 H new ATOM 0 HG SER A 31 -0.063 4.646 -2.631 1.00 0.00 H new ATOM 412 N ARG A 32 3.870 1.812 -3.355 1.00 0.00 N ATOM 413 CA ARG A 32 4.649 0.620 -3.693 1.00 0.00 C ATOM 414 C ARG A 32 4.663 -0.407 -2.592 1.00 0.00 C ATOM 415 O ARG A 32 4.746 -0.066 -1.407 1.00 0.00 O ATOM 416 CB ARG A 32 6.063 0.996 -3.982 1.00 0.00 C ATOM 417 CG ARG A 32 6.235 1.886 -5.181 1.00 0.00 C ATOM 418 CD ARG A 32 7.601 2.536 -5.198 1.00 0.00 C ATOM 419 NE ARG A 32 8.705 1.589 -4.996 1.00 0.00 N ATOM 420 CZ ARG A 32 9.977 1.877 -5.230 1.00 0.00 C ATOM 421 NH1 ARG A 32 10.298 2.930 -5.982 1.00 0.00 N ATOM 422 NH2 ARG A 32 10.915 1.071 -4.768 1.00 0.00 N ATOM 0 H ARG A 32 4.230 2.366 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 32 4.166 0.183 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.478 1.499 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.645 0.087 -4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.097 1.302 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.464 2.657 -5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.740 3.045 -6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.641 3.299 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 32 8.479 0.654 -4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.564 3.516 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.278 3.149 -6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.657 0.239 -4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.898 1.281 -4.941 1.00 0.00 H new ATOM 436 N ILE A 33 4.573 -1.653 -2.983 1.00 0.00 N ATOM 437 CA ILE A 33 4.741 -2.752 -2.059 1.00 0.00 C ATOM 438 C ILE A 33 6.230 -3.016 -1.970 1.00 0.00 C ATOM 439 O ILE A 33 6.823 -3.450 -2.942 1.00 0.00 O ATOM 440 CB ILE A 33 4.087 -4.059 -2.570 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.628 -3.848 -2.959 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.192 -5.136 -1.499 1.00 0.00 C ATOM 443 CD1 ILE A 33 1.971 -5.094 -3.519 1.00 0.00 C ATOM 0 H ILE A 33 4.382 -1.936 -3.944 1.00 0.00 H new ATOM 0 HA ILE A 33 4.278 -2.483 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 33 4.622 -4.375 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.071 -3.514 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.568 -3.050 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.731 -6.055 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.242 -5.322 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.679 -4.803 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.935 -4.875 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.505 -5.417 -4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.000 -5.888 -2.772 1.00 0.00 H new ATOM 455 N GLU A 34 6.831 -2.737 -0.855 1.00 0.00 N ATOM 456 CA GLU A 34 8.263 -2.925 -0.724 1.00 0.00 C ATOM 457 C GLU A 34 8.614 -4.142 0.129 1.00 0.00 C ATOM 458 O GLU A 34 9.783 -4.540 0.206 1.00 0.00 O ATOM 459 CB GLU A 34 8.906 -1.656 -0.191 1.00 0.00 C ATOM 460 CG GLU A 34 8.853 -0.501 -1.159 1.00 0.00 C ATOM 461 CD GLU A 34 9.640 -0.722 -2.414 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.882 -0.817 -2.335 1.00 0.00 O ATOM 463 OE2 GLU A 34 9.053 -0.761 -3.504 1.00 0.00 O ATOM 0 H GLU A 34 6.366 -2.380 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 34 8.668 -3.128 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.408 -1.367 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.947 -1.863 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.813 -0.309 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.226 0.394 -0.661 1.00 0.00 H new ATOM 470 N LYS A 35 7.611 -4.733 0.750 1.00 0.00 N ATOM 471 CA LYS A 35 7.775 -5.920 1.581 1.00 0.00 C ATOM 472 C LYS A 35 6.380 -6.409 1.912 1.00 0.00 C ATOM 473 O LYS A 35 5.458 -5.599 1.940 1.00 0.00 O ATOM 474 CB LYS A 35 8.524 -5.555 2.872 1.00 0.00 C ATOM 475 CG LYS A 35 9.038 -6.730 3.683 1.00 0.00 C ATOM 476 CD LYS A 35 10.040 -7.554 2.890 1.00 0.00 C ATOM 477 CE LYS A 35 10.745 -8.566 3.774 1.00 0.00 C ATOM 478 NZ LYS A 35 11.572 -7.899 4.807 1.00 0.00 N ATOM 0 H LYS A 35 6.648 -4.402 0.694 1.00 0.00 H new ATOM 0 HA LYS A 35 8.351 -6.689 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.369 -4.917 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.860 -4.964 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.506 -6.366 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.201 -7.361 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.528 -8.071 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.776 -6.893 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.007 -9.208 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.376 -9.210 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.307 -8.555 5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.021 -7.054 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.969 -7.620 5.607 1.00 0.00 H new ATOM 492 N ILE A 36 6.192 -7.696 2.124 1.00 0.00 N ATOM 493 CA ILE A 36 4.860 -8.206 2.412 1.00 0.00 C ATOM 494 C ILE A 36 4.893 -9.095 3.654 1.00 0.00 C ATOM 495 O ILE A 36 5.876 -9.800 3.896 1.00 0.00 O ATOM 496 CB ILE A 36 4.292 -9.038 1.222 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.522 -8.315 -0.111 1.00 0.00 C ATOM 498 CG2 ILE A 36 2.799 -9.286 1.425 1.00 0.00 C ATOM 499 CD1 ILE A 36 3.971 -9.035 -1.311 1.00 0.00 C ATOM 0 H ILE A 36 6.929 -8.401 2.104 1.00 0.00 H new ATOM 0 HA ILE A 36 4.214 -7.344 2.579 1.00 0.00 H new ATOM 0 HB ILE A 36 4.817 -9.993 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.069 -7.325 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.593 -8.168 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.410 -9.868 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.644 -9.836 2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.275 -8.331 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.177 -8.454 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.442 -10.015 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.894 -9.159 -1.198 1.00 0.00 H new ATOM 511 N ASP A 37 3.849 -9.041 4.440 1.00 0.00 N ATOM 512 CA ASP A 37 3.702 -9.883 5.606 1.00 0.00 C ATOM 513 C ASP A 37 2.320 -10.494 5.571 1.00 0.00 C ATOM 514 O ASP A 37 1.382 -9.914 6.051 1.00 0.00 O ATOM 515 CB ASP A 37 3.879 -9.078 6.902 1.00 0.00 C ATOM 516 CG ASP A 37 3.919 -9.950 8.125 1.00 0.00 C ATOM 517 OD1 ASP A 37 4.996 -10.494 8.426 1.00 0.00 O ATOM 518 OD2 ASP A 37 2.887 -10.066 8.827 1.00 0.00 O ATOM 0 H ASP A 37 3.066 -8.405 4.289 1.00 0.00 H new ATOM 0 HA ASP A 37 4.470 -10.656 5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.801 -8.500 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.061 -8.364 6.996 1.00 0.00 H new ATOM 523 N TYR A 38 2.211 -11.653 4.980 1.00 0.00 N ATOM 524 CA TYR A 38 0.947 -12.338 4.757 1.00 0.00 C ATOM 525 C TYR A 38 0.458 -12.933 6.070 1.00 0.00 C ATOM 526 O TYR A 38 -0.725 -13.257 6.215 1.00 0.00 O ATOM 527 CB TYR A 38 1.098 -13.487 3.741 1.00 0.00 C ATOM 528 CG TYR A 38 1.792 -13.178 2.418 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.180 -13.164 2.318 1.00 0.00 C ATOM 530 CD2 TYR A 38 1.052 -12.950 1.266 1.00 0.00 C ATOM 531 CE1 TYR A 38 3.807 -12.922 1.109 1.00 0.00 C ATOM 532 CE2 TYR A 38 1.670 -12.716 0.053 1.00 0.00 C ATOM 533 CZ TYR A 38 3.046 -12.701 -0.021 1.00 0.00 C ATOM 534 OH TYR A 38 3.667 -12.473 -1.239 1.00 0.00 O ATOM 0 H TYR A 38 3.017 -12.169 4.627 1.00 0.00 H new ATOM 0 HA TYR A 38 0.239 -11.608 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.646 -14.294 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.102 -13.869 3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.778 -13.345 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.027 -12.956 1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.885 -12.906 1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.077 -12.546 -0.834 1.00 0.00 H new ATOM 0 HH TYR A 38 2.988 -12.337 -1.932 1.00 0.00 H new ATOM 544 N GLU A 39 1.396 -13.093 7.013 1.00 0.00 N ATOM 545 CA GLU A 39 1.118 -13.612 8.351 1.00 0.00 C ATOM 546 C GLU A 39 0.046 -12.770 9.032 1.00 0.00 C ATOM 547 O GLU A 39 -1.011 -13.277 9.433 1.00 0.00 O ATOM 548 CB GLU A 39 2.402 -13.616 9.182 1.00 0.00 C ATOM 549 CG GLU A 39 2.222 -14.100 10.607 1.00 0.00 C ATOM 550 CD GLU A 39 3.514 -14.151 11.360 1.00 0.00 C ATOM 551 OE1 GLU A 39 3.894 -13.143 12.003 1.00 0.00 O ATOM 552 OE2 GLU A 39 4.176 -15.198 11.337 1.00 0.00 O ATOM 0 H GLU A 39 2.378 -12.862 6.863 1.00 0.00 H new ATOM 0 HA GLU A 39 0.750 -14.634 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.139 -14.248 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.810 -12.606 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.528 -13.440 11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.771 -15.092 10.596 1.00 0.00 H new ATOM 559 N GLU A 40 0.314 -11.489 9.132 1.00 0.00 N ATOM 560 CA GLU A 40 -0.635 -10.539 9.673 1.00 0.00 C ATOM 561 C GLU A 40 -1.551 -10.149 8.556 1.00 0.00 C ATOM 562 O GLU A 40 -2.727 -9.820 8.743 1.00 0.00 O ATOM 563 CB GLU A 40 0.125 -9.310 10.135 1.00 0.00 C ATOM 564 CG GLU A 40 -0.711 -8.178 10.693 1.00 0.00 C ATOM 565 CD GLU A 40 -1.424 -8.548 11.971 1.00 0.00 C ATOM 566 OE1 GLU A 40 -0.743 -8.709 13.004 1.00 0.00 O ATOM 567 OE2 GLU A 40 -2.663 -8.670 11.967 1.00 0.00 O ATOM 0 H GLU A 40 1.198 -11.073 8.840 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.192 -10.963 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.840 -9.616 10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.702 -8.927 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.070 -7.316 10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.446 -7.875 9.948 1.00 0.00 H new ATOM 574 N GLY A 41 -0.991 -10.216 7.394 1.00 0.00 N ATOM 575 CA GLY A 41 -1.650 -9.829 6.226 1.00 0.00 C ATOM 576 C GLY A 41 -1.592 -8.354 6.084 1.00 0.00 C ATOM 577 O GLY A 41 -2.602 -7.675 5.972 1.00 0.00 O ATOM 0 H GLY A 41 -0.040 -10.552 7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.188 -10.306 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.688 -10.160 6.256 1.00 0.00 H new ATOM 581 N LYS A 42 -0.391 -7.878 6.129 1.00 0.00 N ATOM 582 CA LYS A 42 -0.062 -6.500 6.005 1.00 0.00 C ATOM 583 C LYS A 42 1.085 -6.411 5.039 1.00 0.00 C ATOM 584 O LYS A 42 1.673 -7.430 4.686 1.00 0.00 O ATOM 585 CB LYS A 42 0.338 -5.890 7.378 1.00 0.00 C ATOM 586 CG LYS A 42 1.532 -6.555 8.054 1.00 0.00 C ATOM 587 CD LYS A 42 1.929 -5.845 9.350 1.00 0.00 C ATOM 588 CE LYS A 42 3.208 -6.432 9.977 1.00 0.00 C ATOM 589 NZ LYS A 42 3.054 -7.823 10.493 1.00 0.00 N ATOM 0 H LYS A 42 0.428 -8.472 6.260 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.923 -5.936 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.561 -4.832 7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.519 -5.949 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.292 -7.596 8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.380 -6.559 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.081 -4.785 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.111 -5.919 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.003 -6.419 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.527 -5.786 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.941 -8.126 10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.284 -7.851 11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.830 -8.463 9.704 1.00 0.00 H new ATOM 603 N MET A 43 1.392 -5.264 4.591 1.00 0.00 N ATOM 604 CA MET A 43 2.513 -5.113 3.739 1.00 0.00 C ATOM 605 C MET A 43 3.246 -3.881 4.152 1.00 0.00 C ATOM 606 O MET A 43 2.729 -3.071 4.950 1.00 0.00 O ATOM 607 CB MET A 43 2.102 -5.028 2.244 1.00 0.00 C ATOM 608 CG MET A 43 1.754 -3.626 1.714 1.00 0.00 C ATOM 609 SD MET A 43 0.415 -2.785 2.581 1.00 0.00 S ATOM 610 CE MET A 43 -0.949 -3.900 2.296 1.00 0.00 C ATOM 0 H MET A 43 0.884 -4.404 4.797 1.00 0.00 H new ATOM 0 HA MET A 43 3.153 -5.990 3.835 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.917 -5.430 1.641 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.240 -5.677 2.088 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.647 -3.003 1.768 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.487 -3.710 0.661 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.817 -3.334 1.958 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.671 -4.628 1.533 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.193 -4.420 3.222 1.00 0.00 H new ATOM 620 N LEU A 44 4.429 -3.752 3.662 1.00 0.00 N ATOM 621 CA LEU A 44 5.180 -2.582 3.857 1.00 0.00 C ATOM 622 C LEU A 44 4.903 -1.723 2.648 1.00 0.00 C ATOM 623 O LEU A 44 5.345 -2.027 1.513 1.00 0.00 O ATOM 624 CB LEU A 44 6.681 -2.917 4.041 1.00 0.00 C ATOM 625 CG LEU A 44 7.642 -1.765 4.421 1.00 0.00 C ATOM 626 CD1 LEU A 44 8.974 -2.327 4.869 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.880 -0.849 3.253 1.00 0.00 C ATOM 0 H LEU A 44 4.899 -4.469 3.110 1.00 0.00 H new ATOM 0 HA LEU A 44 4.902 -2.050 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.760 -3.685 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.041 -3.359 3.112 1.00 0.00 H new ATOM 0 HG LEU A 44 7.177 -1.201 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.643 -1.509 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.825 -2.969 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.415 -2.908 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.559 -0.050 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.322 -1.414 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.932 -0.419 2.929 1.00 0.00 H new ATOM 639 N VAL A 45 4.122 -0.732 2.871 1.00 0.00 N ATOM 640 CA VAL A 45 3.712 0.169 1.867 1.00 0.00 C ATOM 641 C VAL A 45 4.623 1.383 1.854 1.00 0.00 C ATOM 642 O VAL A 45 4.780 2.110 2.854 1.00 0.00 O ATOM 643 CB VAL A 45 2.192 0.540 1.993 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.827 0.951 3.412 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.806 1.638 1.010 1.00 0.00 C ATOM 0 H VAL A 45 3.738 -0.521 3.792 1.00 0.00 H new ATOM 0 HA VAL A 45 3.808 -0.322 0.898 1.00 0.00 H new ATOM 0 HB VAL A 45 1.626 -0.358 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.767 1.200 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.036 0.127 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.417 1.821 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.747 1.872 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.398 2.531 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.996 1.298 -0.008 1.00 0.00 H new ATOM 655 N HIS A 46 5.268 1.553 0.752 1.00 0.00 N ATOM 656 CA HIS A 46 6.166 2.631 0.552 1.00 0.00 C ATOM 657 C HIS A 46 5.433 3.703 -0.192 1.00 0.00 C ATOM 658 O HIS A 46 5.087 3.532 -1.371 1.00 0.00 O ATOM 659 CB HIS A 46 7.347 2.147 -0.256 1.00 0.00 C ATOM 660 CG HIS A 46 8.496 3.098 -0.405 1.00 0.00 C ATOM 661 ND1 HIS A 46 9.600 3.048 0.400 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.748 4.055 -1.322 1.00 0.00 C ATOM 663 CE1 HIS A 46 10.484 3.916 -0.009 1.00 0.00 C ATOM 664 NE2 HIS A 46 9.991 4.543 -1.054 1.00 0.00 N ATOM 0 H HIS A 46 5.182 0.931 -0.052 1.00 0.00 H new ATOM 0 HA HIS A 46 6.530 3.020 1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.720 1.231 0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.992 1.883 -1.252 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.715 2.426 1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.090 4.373 -2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.453 4.089 0.434 1.00 0.00 H new ATOM 673 N PHE A 47 5.145 4.759 0.483 1.00 0.00 N ATOM 674 CA PHE A 47 4.471 5.866 -0.114 1.00 0.00 C ATOM 675 C PHE A 47 5.514 6.776 -0.728 1.00 0.00 C ATOM 676 O PHE A 47 6.703 6.687 -0.387 1.00 0.00 O ATOM 677 CB PHE A 47 3.676 6.641 0.926 1.00 0.00 C ATOM 678 CG PHE A 47 2.642 5.855 1.690 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.985 5.150 2.827 1.00 0.00 C ATOM 680 CD2 PHE A 47 1.325 5.865 1.292 1.00 0.00 C ATOM 681 CE1 PHE A 47 2.028 4.471 3.545 1.00 0.00 C ATOM 682 CE2 PHE A 47 0.365 5.181 2.005 1.00 0.00 C ATOM 683 CZ PHE A 47 0.717 4.485 3.133 1.00 0.00 C ATOM 0 H PHE A 47 5.370 4.884 1.470 1.00 0.00 H new ATOM 0 HA PHE A 47 3.777 5.502 -0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.376 7.073 1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.176 7.472 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.014 5.132 3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.040 6.417 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.308 3.926 4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.664 5.193 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.034 3.950 3.696 1.00 0.00 H new ATOM 693 N GLU A 48 5.098 7.601 -1.639 1.00 0.00 N ATOM 694 CA GLU A 48 5.994 8.523 -2.291 1.00 0.00 C ATOM 695 C GLU A 48 5.977 9.867 -1.562 1.00 0.00 C ATOM 696 O GLU A 48 7.009 10.347 -1.074 1.00 0.00 O ATOM 697 CB GLU A 48 5.582 8.677 -3.749 1.00 0.00 C ATOM 698 CG GLU A 48 6.510 9.523 -4.586 1.00 0.00 C ATOM 699 CD GLU A 48 6.077 9.550 -6.018 1.00 0.00 C ATOM 700 OE1 GLU A 48 5.234 10.388 -6.380 1.00 0.00 O ATOM 701 OE2 GLU A 48 6.561 8.716 -6.813 1.00 0.00 O ATOM 0 H GLU A 48 4.130 7.659 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 48 7.013 8.139 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.513 7.686 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.584 9.114 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.534 10.539 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.525 9.130 -4.518 1.00 0.00 H new ATOM 708 N ARG A 49 4.814 10.454 -1.463 1.00 0.00 N ATOM 709 CA ARG A 49 4.655 11.715 -0.786 1.00 0.00 C ATOM 710 C ARG A 49 3.787 11.433 0.425 1.00 0.00 C ATOM 711 O ARG A 49 2.581 11.196 0.287 1.00 0.00 O ATOM 712 CB ARG A 49 4.000 12.730 -1.741 1.00 0.00 C ATOM 713 CG ARG A 49 4.516 14.155 -1.610 1.00 0.00 C ATOM 714 CD ARG A 49 4.107 14.814 -0.318 1.00 0.00 C ATOM 715 NE ARG A 49 4.823 16.074 -0.119 1.00 0.00 N ATOM 716 CZ ARG A 49 4.302 17.296 -0.261 1.00 0.00 C ATOM 717 NH1 ARG A 49 3.064 17.449 -0.719 1.00 0.00 N ATOM 718 NH2 ARG A 49 5.042 18.359 0.023 1.00 0.00 N ATOM 0 H ARG A 49 3.950 10.072 -1.849 1.00 0.00 H new ATOM 0 HA ARG A 49 5.606 12.146 -0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.156 12.395 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.924 12.731 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.604 14.149 -1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.146 14.748 -2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.033 15.000 -0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.309 14.142 0.516 1.00 0.00 H new ATOM 0 HE ARG A 49 5.805 16.014 0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.506 16.631 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.672 18.384 -0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.002 18.240 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.651 19.295 -0.083 1.00 0.00 H new ATOM 732 N TRP A 50 4.407 11.403 1.591 1.00 0.00 N ATOM 733 CA TRP A 50 3.752 10.947 2.802 1.00 0.00 C ATOM 734 C TRP A 50 4.535 11.366 4.035 1.00 0.00 C ATOM 735 O TRP A 50 5.751 11.545 3.978 1.00 0.00 O ATOM 736 CB TRP A 50 3.671 9.420 2.717 1.00 0.00 C ATOM 737 CG TRP A 50 3.228 8.664 3.936 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.037 8.052 4.842 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.895 8.399 4.351 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.292 7.411 5.786 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.970 7.612 5.515 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.650 8.745 3.857 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.841 7.165 6.184 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.463 8.305 4.522 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.365 7.523 5.673 1.00 0.00 C ATOM 0 H TRP A 50 5.376 11.693 1.724 1.00 0.00 H new ATOM 0 HA TRP A 50 2.759 11.389 2.888 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.991 9.167 1.903 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.657 9.049 2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.117 8.071 4.817 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.662 6.870 6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.558 9.349 2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.917 6.558 7.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.440 8.570 4.146 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.267 7.195 6.168 1.00 0.00 H new ATOM 756 N SER A 51 3.829 11.544 5.123 1.00 0.00 N ATOM 757 CA SER A 51 4.403 11.845 6.407 1.00 0.00 C ATOM 758 C SER A 51 3.541 11.179 7.486 1.00 0.00 C ATOM 759 O SER A 51 2.332 11.424 7.545 1.00 0.00 O ATOM 760 CB SER A 51 4.460 13.360 6.611 1.00 0.00 C ATOM 761 OG SER A 51 5.236 13.979 5.583 1.00 0.00 O ATOM 0 H SER A 51 2.811 11.481 5.139 1.00 0.00 H new ATOM 0 HA SER A 51 5.422 11.463 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.450 13.771 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.893 13.585 7.586 1.00 0.00 H new ATOM 0 HG SER A 51 5.260 14.948 5.729 1.00 0.00 H new ATOM 767 N HIS A 52 4.168 10.312 8.281 1.00 0.00 N ATOM 768 CA HIS A 52 3.531 9.532 9.372 1.00 0.00 C ATOM 769 C HIS A 52 4.528 8.494 9.812 1.00 0.00 C ATOM 770 O HIS A 52 4.706 8.228 10.995 1.00 0.00 O ATOM 771 CB HIS A 52 2.234 8.803 8.920 1.00 0.00 C ATOM 772 CG HIS A 52 1.472 8.127 10.043 1.00 0.00 C ATOM 773 ND1 HIS A 52 1.381 6.746 10.209 1.00 0.00 N ATOM 774 CD2 HIS A 52 0.736 8.664 11.043 1.00 0.00 C ATOM 775 CE1 HIS A 52 0.623 6.491 11.262 1.00 0.00 C ATOM 776 NE2 HIS A 52 0.226 7.632 11.781 1.00 0.00 N ATOM 0 H HIS A 52 5.165 10.118 8.190 1.00 0.00 H new ATOM 0 HA HIS A 52 3.251 10.221 10.169 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.577 9.524 8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.494 8.054 8.172 1.00 0.00 H new ATOM 0 HD1 HIS A 52 1.826 6.046 9.615 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.580 9.717 11.225 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.372 5.509 11.634 1.00 0.00 H new ATOM 785 N ARG A 53 5.169 7.923 8.821 1.00 0.00 N ATOM 786 CA ARG A 53 6.151 6.885 8.969 1.00 0.00 C ATOM 787 C ARG A 53 6.719 6.603 7.597 1.00 0.00 C ATOM 788 O ARG A 53 5.955 6.382 6.648 1.00 0.00 O ATOM 789 CB ARG A 53 5.515 5.601 9.543 1.00 0.00 C ATOM 790 CG ARG A 53 6.445 4.406 9.540 1.00 0.00 C ATOM 791 CD ARG A 53 5.781 3.159 10.074 1.00 0.00 C ATOM 792 NE ARG A 53 5.561 3.193 11.524 1.00 0.00 N ATOM 793 CZ ARG A 53 4.845 2.281 12.187 1.00 0.00 C ATOM 794 NH1 ARG A 53 3.956 1.544 11.547 1.00 0.00 N ATOM 795 NH2 ARG A 53 4.932 2.193 13.496 1.00 0.00 N ATOM 0 H ARG A 53 5.011 8.183 7.848 1.00 0.00 H new ATOM 0 HA ARG A 53 6.930 7.205 9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.189 5.794 10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.624 5.358 8.964 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.793 4.222 8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.325 4.632 10.142 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.823 3.022 9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.397 2.294 9.827 1.00 0.00 H new ATOM 0 HE ARG A 53 5.979 3.956 12.056 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.815 1.671 10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.410 0.848 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.548 2.823 14.010 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.383 1.495 13.998 1.00 0.00 H new ATOM 809 N TYR A 54 8.014 6.668 7.468 1.00 0.00 N ATOM 810 CA TYR A 54 8.654 6.341 6.214 1.00 0.00 C ATOM 811 C TYR A 54 8.750 4.838 6.117 1.00 0.00 C ATOM 812 O TYR A 54 9.409 4.201 6.951 1.00 0.00 O ATOM 813 CB TYR A 54 10.021 7.021 6.089 1.00 0.00 C ATOM 814 CG TYR A 54 9.925 8.533 6.077 1.00 0.00 C ATOM 815 CD1 TYR A 54 9.716 9.222 4.893 1.00 0.00 C ATOM 816 CD2 TYR A 54 10.025 9.267 7.248 1.00 0.00 C ATOM 817 CE1 TYR A 54 9.608 10.599 4.877 1.00 0.00 C ATOM 818 CE2 TYR A 54 9.921 10.637 7.240 1.00 0.00 C ATOM 819 CZ TYR A 54 9.712 11.301 6.055 1.00 0.00 C ATOM 820 OH TYR A 54 9.599 12.676 6.053 1.00 0.00 O ATOM 0 H TYR A 54 8.653 6.944 8.214 1.00 0.00 H new ATOM 0 HA TYR A 54 8.061 6.717 5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.655 6.708 6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.507 6.685 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.636 8.673 3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.188 8.753 8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.443 11.121 3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.003 11.191 8.163 1.00 0.00 H new ATOM 0 HH TYR A 54 9.696 13.013 6.968 1.00 0.00 H new ATOM 830 N ASP A 55 8.057 4.288 5.117 1.00 0.00 N ATOM 831 CA ASP A 55 7.863 2.838 4.942 1.00 0.00 C ATOM 832 C ASP A 55 6.919 2.351 6.020 1.00 0.00 C ATOM 833 O ASP A 55 7.317 2.066 7.158 1.00 0.00 O ATOM 834 CB ASP A 55 9.175 2.015 4.906 1.00 0.00 C ATOM 835 CG ASP A 55 10.012 2.255 3.662 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.729 1.661 2.604 1.00 0.00 O ATOM 837 OD2 ASP A 55 10.991 3.018 3.725 1.00 0.00 O ATOM 0 H ASP A 55 7.605 4.844 4.391 1.00 0.00 H new ATOM 0 HA ASP A 55 7.429 2.678 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.770 2.258 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.930 0.955 4.970 1.00 0.00 H new ATOM 842 N GLU A 56 5.666 2.316 5.670 1.00 0.00 N ATOM 843 CA GLU A 56 4.590 2.057 6.599 1.00 0.00 C ATOM 844 C GLU A 56 4.143 0.594 6.494 1.00 0.00 C ATOM 845 O GLU A 56 4.396 -0.063 5.497 1.00 0.00 O ATOM 846 CB GLU A 56 3.445 3.039 6.255 1.00 0.00 C ATOM 847 CG GLU A 56 2.185 2.956 7.103 1.00 0.00 C ATOM 848 CD GLU A 56 2.413 3.270 8.552 1.00 0.00 C ATOM 849 OE1 GLU A 56 2.885 2.389 9.281 1.00 0.00 O ATOM 850 OE2 GLU A 56 2.070 4.406 9.001 1.00 0.00 O ATOM 0 H GLU A 56 5.351 2.469 4.712 1.00 0.00 H new ATOM 0 HA GLU A 56 4.907 2.212 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.836 4.054 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.164 2.880 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.442 3.646 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.766 1.953 7.019 1.00 0.00 H new ATOM 857 N TRP A 57 3.501 0.096 7.522 1.00 0.00 N ATOM 858 CA TRP A 57 2.995 -1.265 7.535 1.00 0.00 C ATOM 859 C TRP A 57 1.496 -1.239 7.719 1.00 0.00 C ATOM 860 O TRP A 57 0.994 -0.814 8.782 1.00 0.00 O ATOM 861 CB TRP A 57 3.640 -2.102 8.641 1.00 0.00 C ATOM 862 CG TRP A 57 5.072 -2.475 8.409 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.179 -1.771 8.765 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.541 -3.669 7.776 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.312 -2.462 8.408 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.942 -3.630 7.792 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.902 -4.769 7.201 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.719 -4.653 7.253 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.667 -5.780 6.666 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.062 -5.720 6.697 1.00 0.00 C ATOM 0 H TRP A 57 3.312 0.619 8.377 1.00 0.00 H new ATOM 0 HA TRP A 57 3.248 -1.729 6.582 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.573 -1.549 9.578 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.060 -3.016 8.768 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.170 -0.809 9.256 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.271 -2.156 8.574 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.824 -4.826 7.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.798 -4.607 7.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.181 -6.633 6.215 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.635 -6.532 6.274 1.00 0.00 H new ATOM 881 N ILE A 58 0.779 -1.675 6.708 1.00 0.00 N ATOM 882 CA ILE A 58 -0.679 -1.640 6.726 1.00 0.00 C ATOM 883 C ILE A 58 -1.253 -2.968 6.206 1.00 0.00 C ATOM 884 O ILE A 58 -0.646 -3.598 5.372 1.00 0.00 O ATOM 885 CB ILE A 58 -1.229 -0.434 5.879 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.707 0.904 6.444 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.747 -0.433 5.838 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.262 2.148 5.782 1.00 0.00 C ATOM 0 H ILE A 58 1.179 -2.062 5.853 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.000 -1.499 7.758 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.866 -0.551 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.939 0.945 7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.379 0.918 6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.094 0.413 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.099 -1.361 5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.138 -0.350 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.832 3.033 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.008 2.140 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.346 2.167 5.895 1.00 0.00 H new ATOM 900 N TYR A 59 -2.371 -3.418 6.789 1.00 0.00 N ATOM 901 CA TYR A 59 -3.094 -4.646 6.357 1.00 0.00 C ATOM 902 C TYR A 59 -3.600 -4.519 4.903 1.00 0.00 C ATOM 903 O TYR A 59 -3.732 -3.399 4.409 1.00 0.00 O ATOM 904 CB TYR A 59 -4.301 -4.901 7.269 1.00 0.00 C ATOM 905 CG TYR A 59 -3.995 -4.792 8.740 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.904 -5.438 9.298 1.00 0.00 C ATOM 907 CD2 TYR A 59 -4.783 -4.002 9.564 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.612 -5.306 10.634 1.00 0.00 C ATOM 909 CE2 TYR A 59 -4.492 -3.863 10.900 1.00 0.00 C ATOM 910 CZ TYR A 59 -3.407 -4.517 11.429 1.00 0.00 C ATOM 911 OH TYR A 59 -3.103 -4.370 12.757 1.00 0.00 O ATOM 0 H TYR A 59 -2.811 -2.946 7.579 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.390 -5.476 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.088 -4.190 7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.694 -5.897 7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.274 -6.054 8.674 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.638 -3.488 9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.762 -5.820 11.057 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.113 -3.243 11.530 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.761 -3.780 13.180 1.00 0.00 H new ATOM 921 N TRP A 60 -3.925 -5.686 4.261 1.00 0.00 N ATOM 922 CA TRP A 60 -4.394 -5.767 2.833 1.00 0.00 C ATOM 923 C TRP A 60 -5.423 -4.687 2.531 1.00 0.00 C ATOM 924 O TRP A 60 -5.151 -3.749 1.799 1.00 0.00 O ATOM 925 CB TRP A 60 -5.038 -7.125 2.512 1.00 0.00 C ATOM 926 CG TRP A 60 -4.246 -8.332 2.877 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.612 -9.289 3.774 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.965 -8.727 2.371 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.652 -10.252 3.852 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.626 -9.930 3.010 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.072 -8.184 1.445 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.437 -10.598 2.758 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.893 -8.857 1.201 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.589 -10.040 1.851 1.00 0.00 C ATOM 0 H TRP A 60 -3.870 -6.597 4.717 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.504 -5.631 2.218 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.999 -7.178 3.024 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.245 -7.162 1.442 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.531 -9.285 4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.693 -11.081 4.445 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.299 -7.261 0.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.194 -11.523 3.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.192 -8.452 0.487 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.346 -10.534 1.633 1.00 0.00 H new ATOM 945 N ASP A 61 -6.617 -4.850 3.069 1.00 0.00 N ATOM 946 CA ASP A 61 -7.598 -3.793 3.019 1.00 0.00 C ATOM 947 C ASP A 61 -7.898 -3.478 4.441 1.00 0.00 C ATOM 948 O ASP A 61 -8.877 -3.993 5.001 1.00 0.00 O ATOM 949 CB ASP A 61 -8.965 -4.131 2.352 1.00 0.00 C ATOM 950 CG ASP A 61 -8.963 -4.817 1.001 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.591 -6.021 0.917 1.00 0.00 O ATOM 952 OD2 ASP A 61 -9.426 -4.201 0.009 1.00 0.00 O ATOM 0 H ASP A 61 -6.926 -5.700 3.542 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.167 -2.997 2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.523 -4.763 3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.523 -3.200 2.250 1.00 0.00 H new ATOM 957 N SER A 62 -7.018 -2.751 5.081 1.00 0.00 N ATOM 958 CA SER A 62 -7.231 -2.396 6.466 1.00 0.00 C ATOM 959 C SER A 62 -8.497 -1.563 6.587 1.00 0.00 C ATOM 960 O SER A 62 -9.405 -1.868 7.368 1.00 0.00 O ATOM 961 CB SER A 62 -6.033 -1.597 6.972 1.00 0.00 C ATOM 962 OG SER A 62 -5.822 -0.430 6.166 1.00 0.00 O ATOM 0 H SER A 62 -6.154 -2.395 4.672 1.00 0.00 H new ATOM 0 HA SER A 62 -7.340 -3.300 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.198 -1.303 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.140 -2.222 6.956 1.00 0.00 H new ATOM 0 HG SER A 62 -5.286 0.220 6.666 1.00 0.00 H new ATOM 968 N ASN A 63 -8.544 -0.572 5.739 1.00 0.00 N ATOM 969 CA ASN A 63 -9.562 0.453 5.662 1.00 0.00 C ATOM 970 C ASN A 63 -8.981 1.542 4.795 1.00 0.00 C ATOM 971 O ASN A 63 -9.693 2.374 4.241 1.00 0.00 O ATOM 972 CB ASN A 63 -9.888 1.072 7.062 1.00 0.00 C ATOM 973 CG ASN A 63 -8.773 1.959 7.645 1.00 0.00 C ATOM 974 OD1 ASN A 63 -8.734 3.163 7.409 1.00 0.00 O ATOM 975 ND2 ASN A 63 -7.887 1.380 8.413 1.00 0.00 N ATOM 0 H ASN A 63 -7.821 -0.446 5.030 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.485 0.024 5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.800 1.664 6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.095 0.263 7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.139 1.931 8.833 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.944 0.377 8.592 1.00 0.00 H new ATOM 982 N ARG A 64 -7.652 1.535 4.694 1.00 0.00 N ATOM 983 CA ARG A 64 -6.971 2.576 3.994 1.00 0.00 C ATOM 984 C ARG A 64 -6.042 2.015 2.900 1.00 0.00 C ATOM 985 O ARG A 64 -5.357 2.759 2.233 1.00 0.00 O ATOM 986 CB ARG A 64 -6.151 3.341 4.997 1.00 0.00 C ATOM 987 CG ARG A 64 -5.883 4.736 4.589 1.00 0.00 C ATOM 988 CD ARG A 64 -4.722 5.308 5.369 1.00 0.00 C ATOM 989 NE ARG A 64 -4.948 5.266 6.816 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.995 5.044 7.728 1.00 0.00 C ATOM 991 NH1 ARG A 64 -2.731 4.887 7.342 1.00 0.00 N ATOM 992 NH2 ARG A 64 -4.304 5.003 9.016 1.00 0.00 N ATOM 0 H ARG A 64 -7.046 0.817 5.092 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.705 3.216 3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.671 3.343 5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.203 2.826 5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.663 4.772 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.772 5.345 4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.816 4.751 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.553 6.340 5.060 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.899 5.417 7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.490 4.936 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.003 4.718 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.270 5.141 9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.576 4.834 9.710 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.034 0.721 2.718 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.207 0.086 1.686 1.00 0.00 C ATOM 1008 C LEU A 65 -6.061 -0.849 0.884 1.00 0.00 C ATOM 1009 O LEU A 65 -7.050 -1.368 1.409 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.029 -0.674 2.305 1.00 0.00 C ATOM 1011 CG LEU A 65 -2.627 -0.074 2.092 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.275 -0.025 0.619 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.518 1.311 2.686 1.00 0.00 C ATOM 0 H LEU A 65 -6.591 0.068 3.269 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.795 0.861 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.204 -0.756 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.030 -1.687 1.903 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.921 -0.726 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.280 0.403 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.289 -1.034 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.003 0.592 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.515 1.702 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.248 1.968 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.712 1.264 3.758 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.763 -0.980 -0.389 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.476 -1.888 -1.254 1.00 0.00 C ATOM 1027 C ARG A 66 -5.596 -2.572 -2.273 1.00 0.00 C ATOM 1028 O ARG A 66 -4.653 -1.950 -2.885 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.653 -1.240 -1.991 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.907 -1.103 -1.176 1.00 0.00 C ATOM 1031 CD ARG A 66 -10.043 -0.567 -2.010 1.00 0.00 C ATOM 1032 NE ARG A 66 -11.253 -0.375 -1.212 1.00 0.00 N ATOM 1033 CZ ARG A 66 -12.210 0.514 -1.482 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -12.208 1.170 -2.646 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -13.178 0.718 -0.599 1.00 0.00 N ATOM 0 H ARG A 66 -5.019 -0.459 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.861 -2.635 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.349 -0.251 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.877 -1.830 -2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.182 -2.073 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.725 -0.436 -0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.749 0.381 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.252 -1.257 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.374 -0.964 -0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.473 0.991 -3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.941 1.849 -2.850 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.186 0.197 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.914 1.396 -0.797 1.00 0.00 H new ATOM 1049 N PRO A 67 -5.854 -3.883 -2.440 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.318 -4.678 -3.509 1.00 0.00 C ATOM 1051 C PRO A 67 -5.923 -4.268 -4.853 1.00 0.00 C ATOM 1052 O PRO A 67 -6.570 -3.219 -4.970 1.00 0.00 O ATOM 1053 CB PRO A 67 -5.733 -6.112 -3.143 1.00 0.00 C ATOM 1054 CG PRO A 67 -6.042 -6.053 -1.709 1.00 0.00 C ATOM 1055 CD PRO A 67 -6.641 -4.710 -1.516 1.00 0.00 C ATOM 0 HA PRO A 67 -4.240 -4.562 -3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.598 -6.434 -3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.931 -6.821 -3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.735 -6.843 -1.419 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.144 -6.179 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.703 -4.698 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.550 -4.368 -0.485 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.709 -5.086 -5.850 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.155 -4.799 -7.198 1.00 0.00 C ATOM 1065 C LEU A 68 -7.672 -5.030 -7.280 1.00 0.00 C ATOM 1066 O LEU A 68 -8.331 -5.293 -6.259 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.357 -5.726 -8.158 1.00 0.00 C ATOM 1068 CG LEU A 68 -5.591 -5.644 -9.685 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -5.378 -4.239 -10.207 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.657 -6.607 -10.404 1.00 0.00 C ATOM 0 H LEU A 68 -5.219 -5.975 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.973 -3.763 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.298 -5.540 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.555 -6.754 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.627 -5.921 -9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.551 -4.220 -11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.074 -3.559 -9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.355 -3.925 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.827 -6.544 -11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.623 -6.343 -10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.852 -7.624 -10.065 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.230 -4.914 -8.467 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.633 -5.200 -8.697 1.00 0.00 C ATOM 1084 C GLU A 69 -9.950 -6.654 -8.347 1.00 0.00 C ATOM 1085 O GLU A 69 -11.109 -7.010 -8.135 1.00 0.00 O ATOM 1086 CB GLU A 69 -10.025 -4.869 -10.136 1.00 0.00 C ATOM 1087 CG GLU A 69 -9.149 -5.525 -11.183 1.00 0.00 C ATOM 1088 CD GLU A 69 -9.585 -5.198 -12.577 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -9.178 -4.135 -13.111 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -10.339 -5.994 -13.172 1.00 0.00 O ATOM 0 H GLU A 69 -7.724 -4.618 -9.302 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.228 -4.565 -8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.058 -5.175 -10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.987 -3.788 -10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.117 -5.203 -11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.168 -6.606 -11.043 1.00 0.00 H new ATOM 1097 N ARG A 70 -8.889 -7.485 -8.286 1.00 0.00 N ATOM 1098 CA ARG A 70 -8.970 -8.863 -7.836 1.00 0.00 C ATOM 1099 C ARG A 70 -9.765 -9.733 -8.839 1.00 0.00 C ATOM 1100 O ARG A 70 -10.126 -9.242 -9.916 1.00 0.00 O ATOM 1101 CB ARG A 70 -9.555 -8.910 -6.398 1.00 0.00 C ATOM 1102 CG ARG A 70 -8.569 -8.506 -5.334 1.00 0.00 C ATOM 1103 CD ARG A 70 -9.178 -8.523 -3.943 1.00 0.00 C ATOM 1104 NE ARG A 70 -9.907 -7.290 -3.613 1.00 0.00 N ATOM 1105 CZ ARG A 70 -9.755 -6.641 -2.447 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -9.050 -7.197 -1.475 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -10.316 -5.452 -2.241 1.00 0.00 N ATOM 0 H ARG A 70 -7.947 -7.201 -8.554 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.968 -9.291 -7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.423 -8.253 -6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.907 -9.920 -6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.713 -9.180 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.194 -7.506 -5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.857 -9.371 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.387 -8.677 -3.209 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.558 -6.910 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.625 -8.114 -1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.931 -6.709 -0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.874 -5.017 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.188 -4.976 -1.348 1.00 0.00 H new TER 1121 ARG A 70