USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 659 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 1.2 K(o=-0.036,f=-6.5!) USER MOD Set 1.2: A 57 ASN : amide:sc= -2.26 K(o=-0.036,f=-5.1!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 1.03 K(o=-0.036,f=-7.6!) USER MOD Set 2.1: A 13 GLN : amide:sc= 0.662 K(o=3.8,f=-12!) USER MOD Set 2.2: A 16 ASN : amide:sc= 0.696 K(o=3.8,f=-9.3!) USER MOD Set 2.3: A 19 LYS NZ :NH3+ -155:sc= 2.43 (180deg=1.18) USER MOD Set 3.1: A 15 HIS : no HE2:sc= 0.206 K(o=0.21,f=-3.5!) USER MOD Set 3.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0222 (180deg=-0.215) USER MOD Single : A 6 TYR OH : rot -124:sc= 1.24 USER MOD Single : A 7 TYR OH : rot 137:sc= 1.21 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00608 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 2 (180deg=1.94) USER MOD Single : A 17 ASN : amide:sc= 0.595 K(o=0.6,f=-0.75) USER MOD Single : A 18 SER OG : rot 62:sc= 0.223 USER MOD Single : A 21 THR OG1 : rot -22:sc= 0.346 USER MOD Single : A 26 HIS : no HE2:sc= -0.281 K(o=-0.28,f=-6.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -102:sc= 0.992 (180deg=-2.14!) USER MOD Single : A 30 TYR OH : rot 29:sc= 1.22 USER MOD Single : A 33 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 34 LYS NZ :NH3+ 152:sc= 0.75 (180deg=-3.16!) USER MOD Single : A 55 THR OG1 : rot 22:sc= 1.58 USER MOD Single : A 64 SER OG : rot 68:sc= 0.684 USER MOD Single : A 65 THR OG1 : rot 76:sc= 1.37 USER MOD Single : A 71 SER OG : rot -48:sc= 2 USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= 0.772 (180deg=-3.95!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 80 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-1.9) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.984 (180deg=-2.43!) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.99 (180deg=-3.37!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -1.34 (180deg=-1.34) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.0655 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -3.604 20.899 1.242 1.00 10.00 N ATOM 2 CA ALA A 3 -4.418 20.012 2.091 1.00 10.00 C ATOM 3 C ALA A 3 -4.108 18.570 1.694 1.00 10.00 C ATOM 4 O ALA A 3 -3.180 18.373 0.908 1.00 10.00 O ATOM 5 CB ALA A 3 -5.910 20.346 1.952 1.00 10.00 C ATOM 0 HA ALA A 3 -4.172 20.153 3.144 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -6.493 19.679 2.587 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -6.082 21.379 2.256 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -6.216 20.218 0.914 1.00 10.00 H new ATOM 13 N VAL A 4 -4.869 17.604 2.211 1.00 10.00 N ATOM 14 CA VAL A 4 -4.841 16.221 1.746 1.00 10.00 C ATOM 15 C VAL A 4 -5.231 16.140 0.263 1.00 10.00 C ATOM 16 O VAL A 4 -5.555 17.159 -0.350 1.00 10.00 O ATOM 17 CB VAL A 4 -5.765 15.359 2.622 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.236 15.229 4.051 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.224 15.833 2.631 1.00 10.00 C ATOM 0 H VAL A 4 -5.528 17.764 2.973 1.00 10.00 H new ATOM 0 HA VAL A 4 -3.826 15.833 1.836 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.760 14.373 2.157 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.918 14.613 4.637 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.250 14.764 4.033 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.162 16.218 4.503 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.816 15.177 3.270 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.273 16.853 3.013 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -7.621 15.806 1.616 1.00 10.00 H new ATOM 29 N LYS A 5 -5.196 14.941 -0.324 1.00 10.00 N ATOM 30 CA LYS A 5 -5.635 14.721 -1.697 1.00 10.00 C ATOM 31 C LYS A 5 -7.032 14.138 -1.596 1.00 10.00 C ATOM 32 O LYS A 5 -7.997 14.670 -2.138 1.00 10.00 O ATOM 33 CB LYS A 5 -4.710 13.707 -2.394 1.00 10.00 C ATOM 34 CG LYS A 5 -3.468 14.275 -3.092 1.00 10.00 C ATOM 35 CD LYS A 5 -2.500 15.013 -2.153 1.00 10.00 C ATOM 36 CE LYS A 5 -2.651 16.540 -2.212 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.237 17.093 -3.519 1.00 10.00 N ATOM 0 H LYS A 5 -4.862 14.098 0.143 1.00 10.00 H new ATOM 0 HA LYS A 5 -5.615 15.646 -2.273 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -4.381 12.980 -1.651 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -5.297 13.163 -3.134 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.933 13.459 -3.579 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.788 14.960 -3.877 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -2.668 14.676 -1.130 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -1.476 14.745 -2.413 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.690 16.808 -2.019 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.052 16.993 -1.422 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.062 18.114 -3.424 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.366 16.621 -3.836 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.991 16.934 -4.218 1.00 10.00 H new ATOM 51 N TYR A 6 -7.079 13.020 -0.880 1.00 10.00 N ATOM 52 CA TYR A 6 -8.116 12.032 -0.877 1.00 10.00 C ATOM 53 C TYR A 6 -8.344 11.424 -2.252 1.00 10.00 C ATOM 54 O TYR A 6 -8.143 12.025 -3.305 1.00 10.00 O ATOM 55 CB TYR A 6 -9.434 12.499 -0.271 1.00 10.00 C ATOM 56 CG TYR A 6 -9.537 12.932 1.178 1.00 10.00 C ATOM 57 CD1 TYR A 6 -8.417 12.914 2.019 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.780 12.677 1.766 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.520 12.336 3.296 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.817 11.771 2.839 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.661 11.582 3.605 1.00 10.00 C ATOM 62 OH TYR A 6 -9.556 10.497 4.424 1.00 10.00 O ATOM 0 H TYR A 6 -6.324 12.775 -0.239 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.737 11.254 -0.214 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.780 13.337 -0.876 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.150 11.689 -0.410 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.482 13.341 1.689 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.678 13.159 1.408 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.735 12.470 4.026 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -11.723 11.229 3.069 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.915 9.707 3.968 1.00 10.00 H new ATOM 72 N TYR A 7 -8.724 10.162 -2.174 1.00 10.00 N ATOM 73 CA TYR A 7 -8.685 9.173 -3.205 1.00 10.00 C ATOM 74 C TYR A 7 -9.791 8.173 -2.874 1.00 10.00 C ATOM 75 O TYR A 7 -9.945 7.716 -1.742 1.00 10.00 O ATOM 76 CB TYR A 7 -7.295 8.546 -3.099 1.00 10.00 C ATOM 77 CG TYR A 7 -6.191 8.998 -4.051 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.335 10.112 -4.908 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.899 8.505 -3.805 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.204 10.830 -5.334 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.770 9.220 -4.234 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.925 10.429 -4.923 1.00 10.00 C ATOM 83 OH TYR A 7 -2.869 11.282 -5.032 1.00 10.00 O ATOM 0 H TYR A 7 -9.099 9.782 -1.305 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.844 9.547 -4.216 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.938 8.713 -2.083 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.412 7.469 -3.223 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.318 10.413 -5.237 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.773 7.569 -3.282 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.320 11.690 -5.977 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.780 8.837 -4.032 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.329 11.241 -4.215 1.00 10.00 H new ATOM 93 N THR A 8 -10.607 7.886 -3.872 1.00 10.00 N ATOM 94 CA THR A 8 -11.794 7.066 -3.752 1.00 10.00 C ATOM 95 C THR A 8 -11.397 5.608 -3.949 1.00 10.00 C ATOM 96 O THR A 8 -10.491 5.328 -4.728 1.00 10.00 O ATOM 97 CB THR A 8 -12.769 7.527 -4.838 1.00 10.00 C ATOM 98 OG1 THR A 8 -12.056 7.656 -6.054 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.345 8.901 -4.497 1.00 10.00 C ATOM 0 H THR A 8 -10.454 8.230 -4.820 1.00 10.00 H new ATOM 0 HA THR A 8 -12.265 7.161 -2.773 1.00 10.00 H new ATOM 0 HB THR A 8 -13.576 6.799 -4.916 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.667 7.949 -6.762 1.00 10.00 H new ATOM 0 HG21 THR A 8 -14.036 9.211 -5.281 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.876 8.847 -3.546 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.535 9.626 -4.420 1.00 10.00 H new ATOM 107 N LEU A 9 -12.075 4.663 -3.301 1.00 10.00 N ATOM 108 CA LEU A 9 -11.854 3.242 -3.550 1.00 10.00 C ATOM 109 C LEU A 9 -11.920 2.915 -5.042 1.00 10.00 C ATOM 110 O LEU A 9 -11.116 2.123 -5.518 1.00 10.00 O ATOM 111 CB LEU A 9 -12.786 2.424 -2.664 1.00 10.00 C ATOM 112 CG LEU A 9 -12.961 0.939 -3.039 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.283 0.140 -1.770 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.100 0.719 -4.043 1.00 10.00 C ATOM 0 H LEU A 9 -12.786 4.858 -2.596 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.839 2.961 -3.268 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.417 2.476 -1.640 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.768 2.897 -2.673 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.031 0.607 -3.501 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.409 -0.912 -2.025 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.466 0.245 -1.056 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.204 0.518 -1.326 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.181 -0.343 -4.274 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.038 1.070 -3.612 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.891 1.274 -4.958 1.00 10.00 H new ATOM 126 N GLU A 10 -12.803 3.589 -5.784 1.00 10.00 N ATOM 127 CA GLU A 10 -12.771 3.670 -7.243 1.00 10.00 C ATOM 128 C GLU A 10 -11.329 3.760 -7.755 1.00 10.00 C ATOM 129 O GLU A 10 -10.838 2.864 -8.443 1.00 10.00 O ATOM 130 CB GLU A 10 -13.587 4.909 -7.645 1.00 10.00 C ATOM 131 CG GLU A 10 -13.510 5.344 -9.116 1.00 10.00 C ATOM 132 CD GLU A 10 -13.941 4.276 -10.108 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.758 3.414 -9.727 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.427 4.357 -11.246 1.00 10.00 O ATOM 0 H GLU A 10 -13.580 4.107 -5.373 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.201 2.773 -7.689 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.633 4.720 -7.401 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.261 5.745 -7.026 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.135 6.226 -9.255 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.486 5.641 -9.342 1.00 10.00 H new ATOM 141 N GLU A 11 -10.643 4.844 -7.392 1.00 10.00 N ATOM 142 CA GLU A 11 -9.265 5.083 -7.788 1.00 10.00 C ATOM 143 C GLU A 11 -8.319 4.068 -7.183 1.00 10.00 C ATOM 144 O GLU A 11 -7.340 3.655 -7.801 1.00 10.00 O ATOM 145 CB GLU A 11 -8.790 6.476 -7.378 1.00 10.00 C ATOM 146 CG GLU A 11 -9.394 7.570 -8.271 1.00 10.00 C ATOM 147 CD GLU A 11 -9.058 7.388 -9.753 1.00 10.00 C ATOM 148 OE1 GLU A 11 -9.808 6.655 -10.443 1.00 10.00 O ATOM 149 OE2 GLU A 11 -8.037 7.963 -10.180 1.00 10.00 O ATOM 0 H GLU A 11 -11.036 5.584 -6.810 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.251 4.994 -8.874 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -9.064 6.662 -6.339 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.702 6.520 -7.434 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.477 7.574 -8.148 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -9.032 8.543 -7.939 1.00 10.00 H new ATOM 156 N ILE A 12 -8.549 3.709 -5.932 1.00 10.00 N ATOM 157 CA ILE A 12 -7.555 2.916 -5.259 1.00 10.00 C ATOM 158 C ILE A 12 -7.505 1.546 -5.948 1.00 10.00 C ATOM 159 O ILE A 12 -6.428 1.056 -6.285 1.00 10.00 O ATOM 160 CB ILE A 12 -7.791 2.923 -3.740 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.799 4.368 -3.191 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.691 2.147 -3.011 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.508 4.475 -1.846 1.00 10.00 C ATOM 0 H ILE A 12 -9.379 3.944 -5.387 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.552 3.333 -5.347 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.758 2.451 -3.565 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.773 4.720 -3.086 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.289 5.024 -3.910 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.881 2.167 -1.938 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.683 1.114 -3.359 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.724 2.607 -3.217 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.486 5.510 -1.504 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.543 4.150 -1.953 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.003 3.841 -1.117 1.00 10.00 H new ATOM 175 N GLN A 13 -8.677 1.010 -6.295 1.00 10.00 N ATOM 176 CA GLN A 13 -8.806 -0.168 -7.135 1.00 10.00 C ATOM 177 C GLN A 13 -8.255 0.103 -8.529 1.00 10.00 C ATOM 178 O GLN A 13 -7.531 -0.712 -9.098 1.00 10.00 O ATOM 179 CB GLN A 13 -10.276 -0.577 -7.264 1.00 10.00 C ATOM 180 CG GLN A 13 -10.701 -1.427 -6.062 1.00 10.00 C ATOM 181 CD GLN A 13 -10.319 -2.900 -6.226 1.00 10.00 C ATOM 182 OE1 GLN A 13 -9.308 -3.172 -6.916 1.00 10.00 O ATOM 183 NE2 GLN A 13 -11.073 -3.740 -5.695 1.00 10.00 N ATOM 0 H GLN A 13 -9.573 1.393 -5.992 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.239 -0.972 -6.666 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.903 0.312 -7.329 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.424 -1.139 -8.186 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.236 -1.032 -5.159 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.780 -1.347 -5.927 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.876 -3.430 -5.148 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -10.886 -4.736 -5.808 1.00 10.00 H new ATOM 190 N LYS A 14 -8.575 1.266 -9.100 1.00 10.00 N ATOM 191 CA LYS A 14 -7.990 1.693 -10.363 1.00 10.00 C ATOM 192 C LYS A 14 -6.468 1.469 -10.354 1.00 10.00 C ATOM 193 O LYS A 14 -5.903 1.141 -11.394 1.00 10.00 O ATOM 194 CB LYS A 14 -8.342 3.163 -10.623 1.00 10.00 C ATOM 195 CG LYS A 14 -8.231 3.672 -12.063 1.00 10.00 C ATOM 196 CD LYS A 14 -9.404 3.240 -12.956 1.00 10.00 C ATOM 197 CE LYS A 14 -10.800 3.540 -12.377 1.00 10.00 C ATOM 198 NZ LYS A 14 -10.998 4.945 -11.951 1.00 10.00 N ATOM 0 H LYS A 14 -9.240 1.929 -8.702 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.403 1.094 -11.175 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.365 3.329 -10.285 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.696 3.779 -9.998 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.174 4.760 -12.052 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.300 3.309 -12.498 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.311 3.739 -13.921 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.326 2.169 -13.142 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.552 3.291 -13.126 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.973 2.886 -11.522 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.929 5.042 -11.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -10.254 5.211 -11.275 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.951 5.569 -12.781 1.00 10.00 H new ATOM 212 N HIS A 15 -5.824 1.558 -9.182 1.00 10.00 N ATOM 213 CA HIS A 15 -4.400 1.340 -8.945 1.00 10.00 C ATOM 214 C HIS A 15 -4.038 0.003 -8.252 1.00 10.00 C ATOM 215 O HIS A 15 -3.024 -0.136 -7.568 1.00 10.00 O ATOM 216 CB HIS A 15 -3.937 2.533 -8.125 1.00 10.00 C ATOM 217 CG HIS A 15 -3.569 3.714 -8.970 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.298 3.962 -9.409 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.391 4.684 -9.472 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.341 5.069 -10.169 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.597 5.542 -10.242 1.00 10.00 N ATOM 0 H HIS A 15 -6.319 1.800 -8.324 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.891 1.257 -9.905 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.728 2.821 -7.433 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -3.077 2.241 -7.523 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.468 3.408 -9.198 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.454 4.772 -9.306 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.486 5.516 -10.654 1.00 10.00 H new ATOM 229 N ASN A 16 -4.825 -1.035 -8.493 1.00 10.00 N ATOM 230 CA ASN A 16 -4.693 -2.361 -7.878 1.00 10.00 C ATOM 231 C ASN A 16 -3.716 -3.289 -8.599 1.00 10.00 C ATOM 232 O ASN A 16 -3.912 -4.504 -8.614 1.00 10.00 O ATOM 233 CB ASN A 16 -6.065 -3.041 -7.797 1.00 10.00 C ATOM 234 CG ASN A 16 -6.703 -3.355 -9.156 1.00 10.00 C ATOM 235 OD1 ASN A 16 -6.113 -3.150 -10.224 1.00 10.00 O ATOM 236 ND2 ASN A 16 -7.952 -3.804 -9.137 1.00 10.00 N ATOM 0 H ASN A 16 -5.606 -0.982 -9.147 1.00 10.00 H new ATOM 0 HA ASN A 16 -4.283 -2.186 -6.883 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -5.963 -3.969 -7.235 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -6.741 -2.399 -7.232 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -8.442 -3.986 -10.013 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -8.422 -3.967 -8.246 1.00 10.00 H new ATOM 243 N ASN A 17 -2.672 -2.760 -9.236 1.00 10.00 N ATOM 244 CA ASN A 17 -1.739 -3.581 -9.979 1.00 10.00 C ATOM 245 C ASN A 17 -0.534 -2.729 -10.350 1.00 10.00 C ATOM 246 O ASN A 17 -0.461 -1.558 -9.982 1.00 10.00 O ATOM 247 CB ASN A 17 -2.426 -4.207 -11.211 1.00 10.00 C ATOM 248 CG ASN A 17 -2.234 -5.715 -11.267 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.538 -6.223 -12.138 1.00 10.00 O ATOM 250 ND2 ASN A 17 -2.846 -6.433 -10.333 1.00 10.00 N ATOM 0 H ASN A 17 -2.458 -1.763 -9.248 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.395 -4.415 -9.367 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.491 -3.978 -11.187 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.023 -3.757 -12.118 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -2.746 -7.448 -10.323 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -3.417 -5.970 -9.626 1.00 10.00 H new ATOM 257 N SER A 18 0.370 -3.319 -11.123 1.00 10.00 N ATOM 258 CA SER A 18 1.652 -2.774 -11.538 1.00 10.00 C ATOM 259 C SER A 18 1.422 -1.716 -12.616 1.00 10.00 C ATOM 260 O SER A 18 1.742 -1.921 -13.785 1.00 10.00 O ATOM 261 CB SER A 18 2.509 -3.937 -12.046 1.00 10.00 C ATOM 262 OG SER A 18 1.746 -4.669 -12.988 1.00 10.00 O ATOM 0 H SER A 18 0.214 -4.254 -11.501 1.00 10.00 H new ATOM 0 HA SER A 18 2.172 -2.288 -10.712 1.00 10.00 H new ATOM 0 HB2 SER A 18 3.424 -3.563 -12.506 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.808 -4.579 -11.218 1.00 10.00 H new ATOM 0 HG SER A 18 1.525 -4.092 -13.749 1.00 10.00 H new ATOM 268 N LYS A 19 0.814 -0.610 -12.198 1.00 10.00 N ATOM 269 CA LYS A 19 0.509 0.570 -12.987 1.00 10.00 C ATOM 270 C LYS A 19 1.051 1.729 -12.161 1.00 10.00 C ATOM 271 O LYS A 19 2.115 2.263 -12.465 1.00 10.00 O ATOM 272 CB LYS A 19 -1.003 0.636 -13.293 1.00 10.00 C ATOM 273 CG LYS A 19 -1.905 -0.251 -12.420 1.00 10.00 C ATOM 274 CD LYS A 19 -3.381 -0.218 -12.846 1.00 10.00 C ATOM 275 CE LYS A 19 -4.092 -1.385 -12.139 1.00 10.00 C ATOM 276 NZ LYS A 19 -5.564 -1.363 -12.213 1.00 10.00 N ATOM 0 H LYS A 19 0.502 -0.512 -11.232 1.00 10.00 H new ATOM 0 HA LYS A 19 0.969 0.580 -13.975 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -1.331 1.670 -13.186 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.155 0.360 -14.336 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -1.544 -1.279 -12.463 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -1.826 0.072 -11.382 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -3.838 0.733 -12.571 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -3.470 -0.314 -13.928 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -3.737 -2.321 -12.571 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -3.797 -1.386 -11.090 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -5.960 -1.888 -11.408 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -5.898 -0.379 -12.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -5.874 -1.806 -13.101 1.00 10.00 H new ATOM 290 N SER A 20 0.397 1.968 -11.025 1.00 10.00 N ATOM 291 CA SER A 20 1.102 2.302 -9.796 1.00 10.00 C ATOM 292 C SER A 20 0.368 1.554 -8.684 1.00 10.00 C ATOM 293 O SER A 20 -0.845 1.716 -8.588 1.00 10.00 O ATOM 294 CB SER A 20 1.163 3.816 -9.535 1.00 10.00 C ATOM 295 OG SER A 20 1.034 4.575 -10.725 1.00 10.00 O ATOM 0 H SER A 20 -0.618 1.936 -10.934 1.00 10.00 H new ATOM 0 HA SER A 20 2.148 2.002 -9.856 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.369 4.095 -8.842 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.109 4.061 -9.052 1.00 10.00 H new ATOM 0 HG SER A 20 1.077 5.530 -10.510 1.00 10.00 H new ATOM 301 N THR A 21 1.043 0.687 -7.927 1.00 10.00 N ATOM 302 CA THR A 21 0.389 -0.260 -7.024 1.00 10.00 C ATOM 303 C THR A 21 0.028 0.411 -5.696 1.00 10.00 C ATOM 304 O THR A 21 0.920 0.789 -4.938 1.00 10.00 O ATOM 305 CB THR A 21 1.299 -1.473 -6.787 1.00 10.00 C ATOM 306 OG1 THR A 21 1.719 -2.009 -8.024 1.00 10.00 O ATOM 307 CG2 THR A 21 0.545 -2.560 -6.015 1.00 10.00 C ATOM 0 H THR A 21 2.061 0.622 -7.923 1.00 10.00 H new ATOM 0 HA THR A 21 -0.536 -0.600 -7.489 1.00 10.00 H new ATOM 0 HB THR A 21 2.163 -1.145 -6.209 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.093 -1.738 -8.727 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.202 -3.414 -5.854 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.222 -2.164 -5.052 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.326 -2.876 -6.589 1.00 10.00 H new ATOM 315 N TRP A 22 -1.272 0.538 -5.412 1.00 10.00 N ATOM 316 CA TRP A 22 -1.823 1.255 -4.265 1.00 10.00 C ATOM 317 C TRP A 22 -2.295 0.302 -3.177 1.00 10.00 C ATOM 318 O TRP A 22 -2.648 -0.832 -3.472 1.00 10.00 O ATOM 319 CB TRP A 22 -2.978 2.124 -4.765 1.00 10.00 C ATOM 320 CG TRP A 22 -2.539 3.442 -5.351 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.304 3.713 -5.824 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.320 4.632 -5.648 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.290 4.927 -6.466 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.538 5.523 -6.441 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.612 5.057 -5.302 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.070 6.718 -6.959 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.185 6.201 -5.875 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.428 7.015 -6.731 1.00 10.00 C ATOM 0 H TRP A 22 -1.996 0.126 -6.001 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.046 1.875 -3.817 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.537 1.570 -5.519 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.661 2.315 -3.938 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.447 3.066 -5.713 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.465 5.337 -6.905 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.178 4.490 -4.578 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.447 7.397 -7.523 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.211 6.456 -5.657 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.885 7.866 -7.213 1.00 10.00 H new ATOM 339 N LEU A 23 -2.333 0.752 -1.920 1.00 10.00 N ATOM 340 CA LEU A 23 -2.984 0.027 -0.833 1.00 10.00 C ATOM 341 C LEU A 23 -3.405 0.980 0.280 1.00 10.00 C ATOM 342 O LEU A 23 -2.950 2.124 0.312 1.00 10.00 O ATOM 343 CB LEU A 23 -2.112 -1.111 -0.268 1.00 10.00 C ATOM 344 CG LEU A 23 -0.649 -1.220 -0.690 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.134 -0.194 0.107 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.167 -2.638 -0.371 1.00 10.00 C ATOM 0 H LEU A 23 -1.910 1.634 -1.630 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.874 -0.437 -1.259 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.133 -1.029 0.819 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.597 -2.052 -0.526 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.515 -1.032 -1.755 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.187 -0.244 -0.170 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.250 0.803 -0.107 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.029 -0.403 1.172 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.878 -2.742 -0.664 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.264 -2.823 0.699 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.771 -3.360 -0.921 1.00 10.00 H new ATOM 358 N ILE A 24 -4.259 0.486 1.189 1.00 10.00 N ATOM 359 CA ILE A 24 -4.690 1.156 2.408 1.00 10.00 C ATOM 360 C ILE A 24 -3.957 0.552 3.580 1.00 10.00 C ATOM 361 O ILE A 24 -4.072 -0.650 3.819 1.00 10.00 O ATOM 362 CB ILE A 24 -6.199 0.968 2.677 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.105 1.416 1.524 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.630 1.612 4.009 1.00 10.00 C ATOM 365 CD1 ILE A 24 -7.613 2.844 1.675 1.00 10.00 C ATOM 0 H ILE A 24 -4.683 -0.435 1.082 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.479 2.218 2.285 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.337 -0.110 2.757 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.556 1.330 0.586 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -7.957 0.740 1.457 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.698 1.457 4.159 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.078 1.155 4.830 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.419 2.681 3.981 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.248 3.096 0.825 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.189 2.930 2.596 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -6.766 3.529 1.711 1.00 10.00 H new ATOM 377 N LEU A 25 -3.283 1.407 4.345 1.00 10.00 N ATOM 378 CA LEU A 25 -2.616 1.036 5.584 1.00 10.00 C ATOM 379 C LEU A 25 -3.067 2.037 6.641 1.00 10.00 C ATOM 380 O LEU A 25 -2.429 3.068 6.854 1.00 10.00 O ATOM 381 CB LEU A 25 -1.098 1.042 5.387 1.00 10.00 C ATOM 382 CG LEU A 25 -0.473 -0.290 4.949 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.073 -0.928 3.701 1.00 10.00 C ATOM 384 CD2 LEU A 25 1.016 -0.074 4.682 1.00 10.00 C ATOM 0 H LEU A 25 -3.185 2.396 4.114 1.00 10.00 H new ATOM 0 HA LEU A 25 -2.878 0.026 5.900 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.851 1.799 4.643 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.631 1.350 6.322 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.675 -0.976 5.772 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.555 -1.863 3.485 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.131 -1.130 3.868 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.962 -0.248 2.856 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.470 -1.015 4.370 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.140 0.668 3.893 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.501 0.279 5.592 1.00 10.00 H new ATOM 396 N HIS A 26 -4.186 1.749 7.301 1.00 10.00 N ATOM 397 CA HIS A 26 -4.728 2.596 8.353 1.00 10.00 C ATOM 398 C HIS A 26 -5.325 3.867 7.722 1.00 10.00 C ATOM 399 O HIS A 26 -4.876 4.987 7.990 1.00 10.00 O ATOM 400 CB HIS A 26 -3.679 2.883 9.457 1.00 10.00 C ATOM 401 CG HIS A 26 -2.770 1.735 9.868 1.00 10.00 C ATOM 402 ND1 HIS A 26 -2.979 0.877 10.927 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.471 1.540 9.455 1.00 10.00 C ATOM 404 CE1 HIS A 26 -1.830 0.223 11.157 1.00 10.00 C ATOM 405 NE2 HIS A 26 -0.875 0.569 10.276 1.00 10.00 N ATOM 0 H HIS A 26 -4.744 0.915 7.117 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.535 2.073 8.866 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.051 3.707 9.120 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.209 3.229 10.345 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -3.851 0.760 11.443 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -0.989 2.050 8.634 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -1.690 -0.494 11.953 1.00 10.00 H new ATOM 413 N TYR A 27 -6.318 3.678 6.840 1.00 10.00 N ATOM 414 CA TYR A 27 -7.130 4.696 6.156 1.00 10.00 C ATOM 415 C TYR A 27 -6.375 5.575 5.149 1.00 10.00 C ATOM 416 O TYR A 27 -6.969 6.080 4.197 1.00 10.00 O ATOM 417 CB TYR A 27 -7.941 5.539 7.149 1.00 10.00 C ATOM 418 CG TYR A 27 -9.068 4.774 7.816 1.00 10.00 C ATOM 419 CD1 TYR A 27 -8.824 4.023 8.981 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.350 4.762 7.235 1.00 10.00 C ATOM 421 CE1 TYR A 27 -9.853 3.253 9.552 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.376 3.990 7.803 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.128 3.235 8.959 1.00 10.00 C ATOM 424 OH TYR A 27 -12.130 2.490 9.507 1.00 10.00 O ATOM 0 H TYR A 27 -6.596 2.736 6.565 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.822 4.119 5.543 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.271 5.925 7.917 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.357 6.400 6.627 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -7.845 4.038 9.437 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.545 5.349 6.349 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -9.664 2.676 10.445 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.356 3.977 7.350 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.944 2.593 8.972 1.00 10.00 H new ATOM 434 N LYS A 28 -5.075 5.787 5.341 1.00 10.00 N ATOM 435 CA LYS A 28 -4.264 6.462 4.340 1.00 10.00 C ATOM 436 C LYS A 28 -4.093 5.519 3.150 1.00 10.00 C ATOM 437 O LYS A 28 -4.258 4.304 3.300 1.00 10.00 O ATOM 438 CB LYS A 28 -2.908 6.859 4.933 1.00 10.00 C ATOM 439 CG LYS A 28 -2.780 8.325 5.345 1.00 10.00 C ATOM 440 CD LYS A 28 -3.949 8.968 6.105 1.00 10.00 C ATOM 441 CE LYS A 28 -4.565 8.231 7.309 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.621 7.361 8.039 1.00 10.00 N ATOM 0 H LYS A 28 -4.566 5.501 6.177 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.753 7.378 4.010 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.715 6.235 5.806 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.131 6.635 4.203 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -1.888 8.421 5.963 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.607 8.911 4.442 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.614 9.944 6.456 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.749 9.145 5.386 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.971 8.968 8.002 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.402 7.626 6.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.783 6.370 7.770 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.645 7.629 7.799 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.769 7.470 9.063 1.00 10.00 H new ATOM 456 N VAL A 29 -3.729 6.096 2.003 1.00 10.00 N ATOM 457 CA VAL A 29 -3.425 5.399 0.764 1.00 10.00 C ATOM 458 C VAL A 29 -1.942 5.565 0.441 1.00 10.00 C ATOM 459 O VAL A 29 -1.354 6.634 0.636 1.00 10.00 O ATOM 460 CB VAL A 29 -4.300 5.897 -0.388 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.930 5.223 -1.704 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.762 5.545 -0.155 1.00 10.00 C ATOM 0 H VAL A 29 -3.636 7.108 1.915 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.646 4.340 0.894 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.142 6.975 -0.434 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.572 5.601 -2.500 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.889 5.440 -1.944 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.064 4.145 -1.611 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.362 5.911 -0.989 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.868 4.463 -0.079 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.105 6.009 0.770 1.00 10.00 H new ATOM 472 N TYR A 30 -1.355 4.469 -0.028 1.00 10.00 N ATOM 473 CA TYR A 30 0.069 4.208 -0.020 1.00 10.00 C ATOM 474 C TYR A 30 0.429 3.636 -1.387 1.00 10.00 C ATOM 475 O TYR A 30 -0.190 2.647 -1.775 1.00 10.00 O ATOM 476 CB TYR A 30 0.277 3.186 1.105 1.00 10.00 C ATOM 477 CG TYR A 30 0.097 3.779 2.488 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.188 3.814 3.050 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.163 4.360 3.193 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.367 4.238 4.367 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.973 4.808 4.515 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.275 4.666 5.128 1.00 10.00 C ATOM 483 OH TYR A 30 -0.426 4.885 6.465 1.00 10.00 O ATOM 0 H TYR A 30 -1.890 3.706 -0.442 1.00 10.00 H new ATOM 0 HA TYR A 30 0.693 5.085 0.152 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.426 2.363 0.975 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.279 2.765 1.024 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.041 3.512 2.461 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.129 4.464 2.722 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.356 4.236 4.802 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.791 5.261 5.055 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.131 4.301 6.814 1.00 10.00 H new ATOM 493 N ASP A 31 1.378 4.241 -2.115 1.00 10.00 N ATOM 494 CA ASP A 31 1.861 3.699 -3.389 1.00 10.00 C ATOM 495 C ASP A 31 3.189 3.017 -3.145 1.00 10.00 C ATOM 496 O ASP A 31 4.061 3.621 -2.520 1.00 10.00 O ATOM 497 CB ASP A 31 2.124 4.789 -4.423 1.00 10.00 C ATOM 498 CG ASP A 31 2.237 4.215 -5.830 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.100 3.327 -6.028 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.446 4.662 -6.690 1.00 10.00 O ATOM 0 H ASP A 31 1.828 5.113 -1.838 1.00 10.00 H new ATOM 0 HA ASP A 31 1.092 3.024 -3.765 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.318 5.522 -4.393 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.044 5.316 -4.170 1.00 10.00 H new ATOM 505 N LEU A 32 3.360 1.791 -3.636 1.00 10.00 N ATOM 506 CA LEU A 32 4.583 1.045 -3.406 1.00 10.00 C ATOM 507 C LEU A 32 5.373 0.739 -4.668 1.00 10.00 C ATOM 508 O LEU A 32 6.312 -0.044 -4.593 1.00 10.00 O ATOM 509 CB LEU A 32 4.261 -0.286 -2.733 1.00 10.00 C ATOM 510 CG LEU A 32 3.450 -0.178 -1.444 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.421 -1.525 -0.725 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.906 0.854 -0.422 1.00 10.00 C ATOM 0 H LEU A 32 2.664 1.298 -4.195 1.00 10.00 H new ATOM 0 HA LEU A 32 5.197 1.688 -2.776 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.712 -0.909 -3.439 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.196 -0.801 -2.514 1.00 10.00 H new ATOM 0 HG LEU A 32 2.475 0.152 -1.802 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.840 -1.435 0.193 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.964 -2.273 -1.372 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.439 -1.829 -0.481 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.244 0.826 0.444 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.925 0.629 -0.107 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.876 1.847 -0.870 1.00 10.00 H new ATOM 524 N THR A 33 5.023 1.303 -5.816 1.00 10.00 N ATOM 525 CA THR A 33 5.566 0.880 -7.112 1.00 10.00 C ATOM 526 C THR A 33 7.099 0.754 -7.134 1.00 10.00 C ATOM 527 O THR A 33 7.610 -0.265 -7.589 1.00 10.00 O ATOM 528 CB THR A 33 5.005 1.779 -8.216 1.00 10.00 C ATOM 529 OG1 THR A 33 3.601 1.780 -8.081 1.00 10.00 O ATOM 530 CG2 THR A 33 5.344 1.260 -9.615 1.00 10.00 C ATOM 0 H THR A 33 4.353 2.069 -5.881 1.00 10.00 H new ATOM 0 HA THR A 33 5.232 -0.140 -7.301 1.00 10.00 H new ATOM 0 HB THR A 33 5.442 2.772 -8.112 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.328 2.524 -7.505 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.924 1.932 -10.364 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.427 1.215 -9.734 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.923 0.263 -9.745 1.00 10.00 H new ATOM 538 N LYS A 34 7.850 1.730 -6.612 1.00 10.00 N ATOM 539 CA LYS A 34 9.305 1.576 -6.514 1.00 10.00 C ATOM 540 C LYS A 34 9.707 0.551 -5.446 1.00 10.00 C ATOM 541 O LYS A 34 10.755 -0.079 -5.527 1.00 10.00 O ATOM 542 CB LYS A 34 9.998 2.931 -6.292 1.00 10.00 C ATOM 543 CG LYS A 34 9.627 3.675 -4.992 1.00 10.00 C ATOM 544 CD LYS A 34 10.842 3.918 -4.074 1.00 10.00 C ATOM 545 CE LYS A 34 11.229 2.656 -3.290 1.00 10.00 C ATOM 546 NZ LYS A 34 12.421 2.833 -2.438 1.00 10.00 N ATOM 0 H LYS A 34 7.486 2.615 -6.259 1.00 10.00 H new ATOM 0 HA LYS A 34 9.651 1.183 -7.470 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.076 2.771 -6.301 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.765 3.579 -7.137 1.00 10.00 H new ATOM 0 HG2 LYS A 34 9.171 4.632 -5.244 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.878 3.098 -4.450 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.690 4.247 -4.674 1.00 10.00 H new ATOM 0 HD3 LYS A 34 10.614 4.723 -3.376 1.00 10.00 H new ATOM 0 HE2 LYS A 34 10.388 2.354 -2.666 1.00 10.00 H new ATOM 0 HE3 LYS A 34 11.412 1.843 -3.993 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.365 2.187 -1.625 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.277 2.622 -2.990 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.462 3.815 -2.098 1.00 10.00 H new ATOM 560 N PHE A 35 8.899 0.418 -4.393 1.00 10.00 N ATOM 561 CA PHE A 35 9.191 -0.430 -3.252 1.00 10.00 C ATOM 562 C PHE A 35 9.012 -1.901 -3.604 1.00 10.00 C ATOM 563 O PHE A 35 9.704 -2.741 -3.037 1.00 10.00 O ATOM 564 CB PHE A 35 8.303 -0.039 -2.060 1.00 10.00 C ATOM 565 CG PHE A 35 8.691 -0.724 -0.771 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.002 -0.614 -0.273 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.766 -1.554 -0.121 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.406 -1.380 0.831 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.165 -2.307 0.989 1.00 10.00 C ATOM 570 CZ PHE A 35 9.490 -2.241 1.456 1.00 10.00 C ATOM 0 H PHE A 35 8.008 0.909 -4.315 1.00 10.00 H new ATOM 0 HA PHE A 35 10.234 -0.282 -2.971 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.353 1.041 -1.918 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.266 -0.282 -2.294 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.700 0.063 -0.742 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.748 -1.612 -0.476 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.419 -1.307 1.199 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.451 -2.943 1.490 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.801 -2.850 2.292 1.00 10.00 H new ATOM 580 N LEU A 36 8.121 -2.209 -4.551 1.00 10.00 N ATOM 581 CA LEU A 36 7.962 -3.532 -5.150 1.00 10.00 C ATOM 582 C LEU A 36 9.316 -4.234 -5.336 1.00 10.00 C ATOM 583 O LEU A 36 9.461 -5.408 -5.003 1.00 10.00 O ATOM 584 CB LEU A 36 7.244 -3.387 -6.501 1.00 10.00 C ATOM 585 CG LEU A 36 5.848 -2.764 -6.438 1.00 10.00 C ATOM 586 CD1 LEU A 36 5.212 -2.838 -7.828 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.932 -3.398 -5.389 1.00 10.00 C ATOM 0 H LEU A 36 7.471 -1.521 -4.932 1.00 10.00 H new ATOM 0 HA LEU A 36 7.367 -4.150 -4.478 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.865 -2.780 -7.160 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.163 -4.373 -6.958 1.00 10.00 H new ATOM 0 HG LEU A 36 5.969 -1.727 -6.124 1.00 10.00 H new ATOM 0 HD11 LEU A 36 4.216 -2.397 -7.796 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.829 -2.290 -8.540 1.00 10.00 H new ATOM 0 HD13 LEU A 36 5.138 -3.880 -8.139 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.962 -2.902 -5.406 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.802 -4.457 -5.612 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.379 -3.287 -4.401 1.00 10.00 H new ATOM 599 N GLU A 37 10.306 -3.490 -5.839 1.00 10.00 N ATOM 600 CA GLU A 37 11.678 -3.931 -6.030 1.00 10.00 C ATOM 601 C GLU A 37 12.356 -4.354 -4.718 1.00 10.00 C ATOM 602 O GLU A 37 13.003 -5.397 -4.648 1.00 10.00 O ATOM 603 CB GLU A 37 12.458 -2.769 -6.662 1.00 10.00 C ATOM 604 CG GLU A 37 11.927 -2.398 -8.055 1.00 10.00 C ATOM 605 CD GLU A 37 12.742 -1.268 -8.671 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.946 -1.508 -8.910 1.00 10.00 O ATOM 607 OE2 GLU A 37 12.152 -0.188 -8.892 1.00 10.00 O ATOM 0 H GLU A 37 10.160 -2.525 -6.134 1.00 10.00 H new ATOM 0 HA GLU A 37 11.672 -4.811 -6.673 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.399 -1.898 -6.010 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.511 -3.040 -6.738 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.962 -3.272 -8.705 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.882 -2.098 -7.981 1.00 10.00 H new ATOM 614 N GLU A 38 12.266 -3.499 -3.699 1.00 10.00 N ATOM 615 CA GLU A 38 13.035 -3.580 -2.462 1.00 10.00 C ATOM 616 C GLU A 38 12.384 -4.534 -1.453 1.00 10.00 C ATOM 617 O GLU A 38 13.062 -5.128 -0.616 1.00 10.00 O ATOM 618 CB GLU A 38 13.128 -2.167 -1.866 1.00 10.00 C ATOM 619 CG GLU A 38 13.873 -1.183 -2.786 1.00 10.00 C ATOM 620 CD GLU A 38 13.735 0.266 -2.340 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.000 0.539 -1.363 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.261 1.165 -3.033 1.00 10.00 O ATOM 0 H GLU A 38 11.630 -2.701 -3.716 1.00 10.00 H new ATOM 0 HA GLU A 38 14.027 -3.973 -2.682 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.123 -1.790 -1.676 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.638 -2.216 -0.904 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.929 -1.450 -2.815 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.491 -1.283 -3.802 1.00 10.00 H new ATOM 629 N HIS A 39 11.055 -4.619 -1.484 1.00 10.00 N ATOM 630 CA HIS A 39 10.240 -5.285 -0.485 1.00 10.00 C ATOM 631 C HIS A 39 10.627 -6.763 -0.299 1.00 10.00 C ATOM 632 O HIS A 39 10.520 -7.525 -1.258 1.00 10.00 O ATOM 633 CB HIS A 39 8.778 -5.173 -0.931 1.00 10.00 C ATOM 634 CG HIS A 39 7.821 -5.795 0.048 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.740 -6.582 -0.271 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.798 -5.580 1.399 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.054 -6.782 0.869 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.664 -6.197 1.920 1.00 10.00 N ATOM 0 H HIS A 39 10.501 -4.209 -2.236 1.00 10.00 H new ATOM 0 HA HIS A 39 10.398 -4.804 0.480 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.523 -4.122 -1.064 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.661 -5.654 -1.902 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.503 -6.945 -1.195 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.533 -5.027 1.964 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.132 -7.340 0.934 1.00 10.00 H new ATOM 646 N PRO A 40 10.984 -7.223 0.917 1.00 10.00 N ATOM 647 CA PRO A 40 11.226 -8.638 1.185 1.00 10.00 C ATOM 648 C PRO A 40 10.043 -9.534 0.805 1.00 10.00 C ATOM 649 O PRO A 40 10.238 -10.631 0.291 1.00 10.00 O ATOM 650 CB PRO A 40 11.550 -8.730 2.680 1.00 10.00 C ATOM 651 CG PRO A 40 12.143 -7.354 2.976 1.00 10.00 C ATOM 652 CD PRO A 40 11.277 -6.443 2.110 1.00 10.00 C ATOM 0 HA PRO A 40 12.048 -9.004 0.570 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.659 -8.925 3.277 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.258 -9.531 2.893 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.074 -7.099 4.033 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.197 -7.296 2.703 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.362 -6.158 2.629 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.802 -5.521 1.860 1.00 10.00 H new ATOM 660 N GLY A 41 8.809 -9.066 1.031 1.00 10.00 N ATOM 661 CA GLY A 41 7.606 -9.779 0.612 1.00 10.00 C ATOM 662 C GLY A 41 7.455 -9.862 -0.916 1.00 10.00 C ATOM 663 O GLY A 41 6.571 -10.566 -1.397 1.00 10.00 O ATOM 0 H GLY A 41 8.622 -8.184 1.509 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.627 -10.788 1.024 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.731 -9.281 1.031 1.00 10.00 H new ATOM 667 N GLY A 42 8.277 -9.138 -1.685 1.00 10.00 N ATOM 668 CA GLY A 42 8.204 -9.107 -3.137 1.00 10.00 C ATOM 669 C GLY A 42 6.966 -8.362 -3.624 1.00 10.00 C ATOM 670 O GLY A 42 6.246 -7.748 -2.830 1.00 10.00 O ATOM 0 H GLY A 42 9.019 -8.552 -1.304 1.00 10.00 H new ATOM 0 HA2 GLY A 42 9.098 -8.627 -3.536 1.00 10.00 H new ATOM 0 HA3 GLY A 42 8.190 -10.126 -3.522 1.00 10.00 H new ATOM 674 N GLU A 43 6.747 -8.406 -4.941 1.00 10.00 N ATOM 675 CA GLU A 43 5.627 -7.750 -5.592 1.00 10.00 C ATOM 676 C GLU A 43 4.389 -8.648 -5.581 1.00 10.00 C ATOM 677 O GLU A 43 3.370 -8.223 -5.063 1.00 10.00 O ATOM 678 CB GLU A 43 6.023 -7.252 -6.989 1.00 10.00 C ATOM 679 CG GLU A 43 4.816 -6.694 -7.759 1.00 10.00 C ATOM 680 CD GLU A 43 5.178 -6.233 -9.163 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.317 -5.762 -9.349 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.293 -6.391 -10.036 1.00 10.00 O ATOM 0 H GLU A 43 7.356 -8.907 -5.588 1.00 10.00 H new ATOM 0 HA GLU A 43 5.353 -6.860 -5.026 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.785 -6.478 -6.897 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.468 -8.071 -7.554 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.043 -7.460 -7.820 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.391 -5.857 -7.204 1.00 10.00 H new ATOM 689 N GLU A 44 4.440 -9.857 -6.153 1.00 10.00 N ATOM 690 CA GLU A 44 3.264 -10.699 -6.403 1.00 10.00 C ATOM 691 C GLU A 44 2.163 -10.574 -5.336 1.00 10.00 C ATOM 692 O GLU A 44 1.092 -10.020 -5.584 1.00 10.00 O ATOM 693 CB GLU A 44 3.691 -12.167 -6.583 1.00 10.00 C ATOM 694 CG GLU A 44 4.657 -12.391 -7.757 1.00 10.00 C ATOM 695 CD GLU A 44 4.087 -11.891 -9.075 1.00 10.00 C ATOM 696 OE1 GLU A 44 2.872 -12.081 -9.299 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.834 -11.218 -9.812 1.00 10.00 O ATOM 0 H GLU A 44 5.314 -10.285 -6.460 1.00 10.00 H new ATOM 0 HA GLU A 44 2.816 -10.330 -7.326 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.164 -12.514 -5.664 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.802 -12.779 -6.734 1.00 10.00 H new ATOM 0 HG2 GLU A 44 5.598 -11.880 -7.553 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.883 -13.454 -7.841 1.00 10.00 H new ATOM 704 N VAL A 45 2.443 -11.054 -4.125 1.00 10.00 N ATOM 705 CA VAL A 45 1.503 -11.027 -3.012 1.00 10.00 C ATOM 706 C VAL A 45 1.147 -9.582 -2.609 1.00 10.00 C ATOM 707 O VAL A 45 0.013 -9.279 -2.248 1.00 10.00 O ATOM 708 CB VAL A 45 2.109 -11.855 -1.856 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.437 -11.280 -1.339 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.156 -12.039 -0.670 1.00 10.00 C ATOM 0 H VAL A 45 3.341 -11.477 -3.889 1.00 10.00 H new ATOM 0 HA VAL A 45 0.554 -11.478 -3.301 1.00 10.00 H new ATOM 0 HB VAL A 45 2.294 -12.831 -2.304 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.813 -11.904 -0.528 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.165 -11.261 -2.150 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.276 -10.266 -0.972 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.647 -12.629 0.103 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.886 -11.064 -0.265 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.256 -12.555 -1.003 1.00 10.00 H new ATOM 720 N LEU A 46 2.107 -8.661 -2.696 1.00 10.00 N ATOM 721 CA LEU A 46 1.876 -7.246 -2.443 1.00 10.00 C ATOM 722 C LEU A 46 0.911 -6.663 -3.483 1.00 10.00 C ATOM 723 O LEU A 46 0.148 -5.749 -3.181 1.00 10.00 O ATOM 724 CB LEU A 46 3.240 -6.534 -2.424 1.00 10.00 C ATOM 725 CG LEU A 46 3.225 -5.084 -1.938 1.00 10.00 C ATOM 726 CD1 LEU A 46 2.740 -5.024 -0.488 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.653 -4.524 -2.027 1.00 10.00 C ATOM 0 H LEU A 46 3.071 -8.881 -2.946 1.00 10.00 H new ATOM 0 HA LEU A 46 1.397 -7.097 -1.475 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.918 -7.104 -1.788 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.654 -6.556 -3.432 1.00 10.00 H new ATOM 0 HG LEU A 46 2.550 -4.494 -2.558 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.732 -3.988 -0.150 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.732 -5.434 -0.424 1.00 10.00 H new ATOM 0 HD13 LEU A 46 3.410 -5.607 0.144 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.660 -3.489 -1.684 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.317 -5.119 -1.400 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.996 -4.566 -3.061 1.00 10.00 H new ATOM 739 N ARG A 47 0.922 -7.214 -4.699 1.00 10.00 N ATOM 740 CA ARG A 47 0.076 -6.800 -5.802 1.00 10.00 C ATOM 741 C ARG A 47 -1.323 -7.349 -5.542 1.00 10.00 C ATOM 742 O ARG A 47 -2.300 -6.609 -5.580 1.00 10.00 O ATOM 743 CB ARG A 47 0.661 -7.308 -7.130 1.00 10.00 C ATOM 744 CG ARG A 47 0.181 -6.445 -8.300 1.00 10.00 C ATOM 745 CD ARG A 47 0.491 -7.073 -9.665 1.00 10.00 C ATOM 746 NE ARG A 47 1.894 -7.495 -9.804 1.00 10.00 N ATOM 747 CZ ARG A 47 2.361 -8.747 -9.911 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.580 -9.803 -9.666 1.00 10.00 N ATOM 749 NH2 ARG A 47 3.634 -8.905 -10.261 1.00 10.00 N ATOM 0 H ARG A 47 1.543 -7.985 -4.943 1.00 10.00 H new ATOM 0 HA ARG A 47 0.024 -5.714 -5.877 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.750 -7.292 -7.083 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.364 -8.344 -7.291 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.894 -6.287 -8.213 1.00 10.00 H new ATOM 0 HG3 ARG A 47 0.653 -5.464 -8.240 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.158 -7.936 -9.817 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.255 -6.355 -10.450 1.00 10.00 H new ATOM 0 HE ARG A 47 2.590 -6.750 -9.821 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.607 -9.665 -9.391 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.956 -10.747 -9.754 1.00 10.00 H new ATOM 0 HH21 ARG A 47 4.219 -8.089 -10.438 1.00 10.00 H new ATOM 0 HH22 ARG A 47 4.025 -9.843 -10.353 1.00 10.00 H new ATOM 763 N GLU A 48 -1.399 -8.640 -5.216 1.00 10.00 N ATOM 764 CA GLU A 48 -2.615 -9.318 -4.785 1.00 10.00 C ATOM 765 C GLU A 48 -3.366 -8.488 -3.733 1.00 10.00 C ATOM 766 O GLU A 48 -4.580 -8.317 -3.801 1.00 10.00 O ATOM 767 CB GLU A 48 -2.199 -10.677 -4.204 1.00 10.00 C ATOM 768 CG GLU A 48 -3.368 -11.660 -4.035 1.00 10.00 C ATOM 769 CD GLU A 48 -3.906 -12.206 -5.355 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.246 -11.979 -6.393 1.00 10.00 O ATOM 771 OE2 GLU A 48 -4.966 -12.865 -5.295 1.00 10.00 O ATOM 0 H GLU A 48 -0.589 -9.259 -5.247 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.292 -9.450 -5.629 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.449 -11.126 -4.855 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.726 -10.519 -3.235 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.043 -12.494 -3.413 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.177 -11.161 -3.502 1.00 10.00 H new ATOM 778 N GLN A 49 -2.621 -7.975 -2.750 1.00 10.00 N ATOM 779 CA GLN A 49 -3.150 -7.244 -1.606 1.00 10.00 C ATOM 780 C GLN A 49 -3.431 -5.766 -1.943 1.00 10.00 C ATOM 781 O GLN A 49 -3.987 -5.030 -1.128 1.00 10.00 O ATOM 782 CB GLN A 49 -2.111 -7.374 -0.487 1.00 10.00 C ATOM 783 CG GLN A 49 -2.649 -7.047 0.907 1.00 10.00 C ATOM 784 CD GLN A 49 -3.059 -8.277 1.719 1.00 10.00 C ATOM 785 OE1 GLN A 49 -2.242 -9.150 2.000 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.310 -8.344 2.158 1.00 10.00 N ATOM 0 H GLN A 49 -1.605 -8.062 -2.732 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.110 -7.660 -1.300 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.721 -8.392 -0.485 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.273 -6.712 -0.706 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -1.887 -6.497 1.459 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.510 -6.386 0.807 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.976 -7.610 1.915 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.606 -9.129 2.738 1.00 10.00 H new ATOM 795 N ALA A 50 -3.001 -5.309 -3.120 1.00 10.00 N ATOM 796 CA ALA A 50 -3.174 -3.927 -3.554 1.00 10.00 C ATOM 797 C ALA A 50 -4.651 -3.562 -3.739 1.00 10.00 C ATOM 798 O ALA A 50 -5.542 -4.403 -3.665 1.00 10.00 O ATOM 799 CB ALA A 50 -2.408 -3.708 -4.862 1.00 10.00 C ATOM 0 H ALA A 50 -2.519 -5.894 -3.802 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.777 -3.276 -2.775 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.535 -2.676 -5.190 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.349 -3.910 -4.702 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.794 -4.382 -5.627 1.00 10.00 H new ATOM 805 N GLY A 51 -4.911 -2.278 -3.983 1.00 10.00 N ATOM 806 CA GLY A 51 -6.229 -1.732 -4.257 1.00 10.00 C ATOM 807 C GLY A 51 -7.068 -1.480 -3.012 1.00 10.00 C ATOM 808 O GLY A 51 -8.070 -0.775 -3.089 1.00 10.00 O ATOM 0 H GLY A 51 -4.179 -1.568 -3.994 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.116 -0.795 -4.802 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.766 -2.419 -4.911 1.00 10.00 H new ATOM 812 N GLY A 52 -6.635 -1.969 -1.851 1.00 10.00 N ATOM 813 CA GLY A 52 -7.268 -1.583 -0.611 1.00 10.00 C ATOM 814 C GLY A 52 -6.707 -2.378 0.552 1.00 10.00 C ATOM 815 O GLY A 52 -5.767 -1.945 1.219 1.00 10.00 O ATOM 0 H GLY A 52 -5.859 -2.624 -1.753 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.116 -0.518 -0.436 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.344 -1.744 -0.682 1.00 10.00 H new ATOM 819 N ASP A 53 -7.327 -3.520 0.812 1.00 10.00 N ATOM 820 CA ASP A 53 -7.324 -4.186 2.106 1.00 10.00 C ATOM 821 C ASP A 53 -5.955 -4.778 2.450 1.00 10.00 C ATOM 822 O ASP A 53 -5.751 -5.987 2.351 1.00 10.00 O ATOM 823 CB ASP A 53 -8.434 -5.247 2.119 1.00 10.00 C ATOM 824 CG ASP A 53 -9.787 -4.655 1.745 1.00 10.00 C ATOM 825 OD1 ASP A 53 -9.889 -4.214 0.578 1.00 10.00 O ATOM 826 OD2 ASP A 53 -10.667 -4.620 2.629 1.00 10.00 O ATOM 0 H ASP A 53 -7.863 -4.024 0.106 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.525 -3.450 2.884 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.181 -6.046 1.422 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.495 -5.697 3.110 1.00 10.00 H new ATOM 831 N ALA A 54 -5.015 -3.930 2.881 1.00 10.00 N ATOM 832 CA ALA A 54 -3.659 -4.336 3.231 1.00 10.00 C ATOM 833 C ALA A 54 -3.321 -3.941 4.671 1.00 10.00 C ATOM 834 O ALA A 54 -2.258 -4.301 5.181 1.00 10.00 O ATOM 835 CB ALA A 54 -2.718 -3.653 2.244 1.00 10.00 C ATOM 0 H ALA A 54 -5.182 -2.930 2.996 1.00 10.00 H new ATOM 0 HA ALA A 54 -3.557 -5.420 3.172 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.689 -3.931 2.471 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.964 -3.968 1.230 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.828 -2.572 2.325 1.00 10.00 H new ATOM 841 N THR A 55 -4.209 -3.202 5.340 1.00 10.00 N ATOM 842 CA THR A 55 -3.943 -2.716 6.681 1.00 10.00 C ATOM 843 C THR A 55 -3.767 -3.890 7.640 1.00 10.00 C ATOM 844 O THR A 55 -2.771 -3.938 8.361 1.00 10.00 O ATOM 845 CB THR A 55 -5.055 -1.773 7.151 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.252 -0.709 6.245 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.616 -1.130 8.455 1.00 10.00 C ATOM 0 H THR A 55 -5.119 -2.931 4.967 1.00 10.00 H new ATOM 0 HA THR A 55 -3.015 -2.145 6.668 1.00 10.00 H new ATOM 0 HB THR A 55 -5.969 -2.359 7.245 1.00 10.00 H new ATOM 0 HG1 THR A 55 -4.915 -0.965 5.361 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.395 -0.454 8.807 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.442 -1.904 9.202 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.695 -0.570 8.293 1.00 10.00 H new ATOM 855 N GLU A 56 -4.716 -4.832 7.619 1.00 10.00 N ATOM 856 CA GLU A 56 -4.686 -6.028 8.429 1.00 10.00 C ATOM 857 C GLU A 56 -3.329 -6.685 8.246 1.00 10.00 C ATOM 858 O GLU A 56 -2.583 -6.784 9.204 1.00 10.00 O ATOM 859 CB GLU A 56 -5.838 -6.961 8.035 1.00 10.00 C ATOM 860 CG GLU A 56 -7.203 -6.280 8.204 1.00 10.00 C ATOM 861 CD GLU A 56 -8.345 -7.270 8.001 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.172 -8.160 7.141 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.361 -7.115 8.710 1.00 10.00 O ATOM 0 H GLU A 56 -5.540 -4.771 7.021 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.823 -5.788 9.484 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.714 -7.275 6.999 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.802 -7.862 8.648 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.272 -5.841 9.199 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.295 -5.463 7.488 1.00 10.00 H new ATOM 870 N ASN A 57 -2.974 -7.036 7.006 1.00 10.00 N ATOM 871 CA ASN A 57 -1.671 -7.605 6.680 1.00 10.00 C ATOM 872 C ASN A 57 -0.533 -6.828 7.347 1.00 10.00 C ATOM 873 O ASN A 57 0.321 -7.397 8.023 1.00 10.00 O ATOM 874 CB ASN A 57 -1.477 -7.630 5.161 1.00 10.00 C ATOM 875 CG ASN A 57 -0.208 -8.394 4.809 1.00 10.00 C ATOM 876 OD1 ASN A 57 0.890 -8.024 5.213 1.00 10.00 O ATOM 877 ND2 ASN A 57 -0.351 -9.463 4.038 1.00 10.00 N ATOM 0 H ASN A 57 -3.589 -6.931 6.199 1.00 10.00 H new ATOM 0 HA ASN A 57 -1.644 -8.624 7.065 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -2.338 -8.099 4.684 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.416 -6.612 4.777 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.467 -10.006 3.763 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.279 -9.742 3.720 1.00 10.00 H new ATOM 884 N PHE A 58 -0.517 -5.508 7.151 1.00 10.00 N ATOM 885 CA PHE A 58 0.556 -4.670 7.654 1.00 10.00 C ATOM 886 C PHE A 58 0.675 -4.745 9.184 1.00 10.00 C ATOM 887 O PHE A 58 1.780 -4.747 9.731 1.00 10.00 O ATOM 888 CB PHE A 58 0.363 -3.239 7.138 1.00 10.00 C ATOM 889 CG PHE A 58 1.598 -2.364 7.224 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.779 -2.755 6.564 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.533 -1.098 7.838 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.911 -1.926 6.593 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.669 -0.272 7.873 1.00 10.00 C ATOM 894 CZ PHE A 58 3.860 -0.690 7.254 1.00 10.00 C ATOM 0 H PHE A 58 -1.242 -5.001 6.644 1.00 10.00 H new ATOM 0 HA PHE A 58 1.508 -5.041 7.276 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.037 -3.283 6.099 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.440 -2.768 7.705 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.814 -3.695 6.034 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.608 -0.762 8.283 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.822 -2.240 6.106 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.627 0.683 8.375 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.736 -0.059 7.287 1.00 10.00 H new ATOM 904 N GLU A 59 -0.455 -4.780 9.892 1.00 10.00 N ATOM 905 CA GLU A 59 -0.503 -4.990 11.334 1.00 10.00 C ATOM 906 C GLU A 59 -0.098 -6.425 11.681 1.00 10.00 C ATOM 907 O GLU A 59 0.967 -6.646 12.247 1.00 10.00 O ATOM 908 CB GLU A 59 -1.912 -4.655 11.839 1.00 10.00 C ATOM 909 CG GLU A 59 -2.144 -3.144 11.753 1.00 10.00 C ATOM 910 CD GLU A 59 -3.515 -2.712 12.268 1.00 10.00 C ATOM 911 OE1 GLU A 59 -4.064 -3.446 13.116 1.00 10.00 O ATOM 912 OE2 GLU A 59 -3.970 -1.633 11.828 1.00 10.00 O ATOM 0 H GLU A 59 -1.376 -4.661 9.470 1.00 10.00 H new ATOM 0 HA GLU A 59 0.209 -4.331 11.831 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.657 -5.182 11.243 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.030 -4.993 12.869 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.371 -2.632 12.326 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.036 -2.826 10.716 1.00 10.00 H new ATOM 919 N ASP A 60 -0.970 -7.365 11.327 1.00 10.00 N ATOM 920 CA ASP A 60 -0.864 -8.819 11.406 1.00 10.00 C ATOM 921 C ASP A 60 0.580 -9.336 11.339 1.00 10.00 C ATOM 922 O ASP A 60 1.072 -9.952 12.282 1.00 10.00 O ATOM 923 CB ASP A 60 -1.695 -9.412 10.257 1.00 10.00 C ATOM 924 CG ASP A 60 -1.604 -10.928 10.245 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.381 -11.556 10.991 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.741 -11.423 9.488 1.00 10.00 O ATOM 0 H ASP A 60 -1.871 -7.095 10.933 1.00 10.00 H new ATOM 0 HA ASP A 60 -1.241 -9.134 12.379 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.736 -9.108 10.362 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.341 -9.015 9.305 1.00 10.00 H new ATOM 931 N HIS A 61 1.263 -9.070 10.223 1.00 10.00 N ATOM 932 CA HIS A 61 2.608 -9.576 9.950 1.00 10.00 C ATOM 933 C HIS A 61 3.664 -8.972 10.888 1.00 10.00 C ATOM 934 O HIS A 61 4.805 -9.428 10.901 1.00 10.00 O ATOM 935 CB HIS A 61 2.982 -9.298 8.489 1.00 10.00 C ATOM 936 CG HIS A 61 2.240 -10.106 7.451 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.063 -10.806 7.614 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.641 -10.282 6.154 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.772 -11.383 6.436 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.703 -11.095 5.509 1.00 10.00 N ATOM 0 H HIS A 61 0.890 -8.488 9.473 1.00 10.00 H new ATOM 0 HA HIS A 61 2.594 -10.651 10.132 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.813 -8.240 8.286 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.050 -9.480 8.367 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.514 -10.873 8.471 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.530 -9.864 5.705 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.097 -11.998 6.257 1.00 10.00 H new ATOM 948 N GLY A 62 3.316 -7.934 11.650 1.00 10.00 N ATOM 949 CA GLY A 62 4.208 -7.279 12.586 1.00 10.00 C ATOM 950 C GLY A 62 5.235 -6.423 11.855 1.00 10.00 C ATOM 951 O GLY A 62 6.395 -6.378 12.258 1.00 10.00 O ATOM 0 H GLY A 62 2.383 -7.522 11.627 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.630 -6.656 13.269 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.719 -8.028 13.192 1.00 10.00 H new ATOM 955 N HIS A 63 4.812 -5.724 10.796 1.00 10.00 N ATOM 956 CA HIS A 63 5.714 -4.867 10.040 1.00 10.00 C ATOM 957 C HIS A 63 6.288 -3.771 10.937 1.00 10.00 C ATOM 958 O HIS A 63 5.525 -3.012 11.546 1.00 10.00 O ATOM 959 CB HIS A 63 5.000 -4.255 8.839 1.00 10.00 C ATOM 960 CG HIS A 63 4.930 -5.187 7.667 1.00 10.00 C ATOM 961 ND1 HIS A 63 3.909 -6.050 7.342 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.801 -5.161 6.622 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.152 -6.506 6.099 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.295 -5.979 5.616 1.00 10.00 N ATOM 0 H HIS A 63 3.853 -5.739 10.449 1.00 10.00 H new ATOM 0 HA HIS A 63 6.537 -5.479 9.671 1.00 10.00 H new ATOM 0 HB2 HIS A 63 3.989 -3.969 9.130 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.517 -3.343 8.541 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.116 -6.298 7.933 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.725 -4.603 6.580 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.519 -7.198 5.563 1.00 10.00 H new ATOM 972 N SER A 64 7.620 -3.712 11.001 1.00 10.00 N ATOM 973 CA SER A 64 8.379 -2.938 11.969 1.00 10.00 C ATOM 974 C SER A 64 8.091 -1.438 11.896 1.00 10.00 C ATOM 975 O SER A 64 7.595 -0.925 10.892 1.00 10.00 O ATOM 976 CB SER A 64 9.874 -3.213 11.759 1.00 10.00 C ATOM 977 OG SER A 64 10.108 -4.606 11.796 1.00 10.00 O ATOM 0 H SER A 64 8.217 -4.224 10.352 1.00 10.00 H new ATOM 0 HA SER A 64 8.070 -3.253 12.966 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.199 -2.805 10.802 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.458 -2.715 12.533 1.00 10.00 H new ATOM 0 HG SER A 64 9.702 -5.027 11.010 1.00 10.00 H new ATOM 983 N THR A 65 8.474 -0.726 12.957 1.00 10.00 N ATOM 984 CA THR A 65 8.536 0.725 13.048 1.00 10.00 C ATOM 985 C THR A 65 9.082 1.343 11.765 1.00 10.00 C ATOM 986 O THR A 65 8.545 2.314 11.248 1.00 10.00 O ATOM 987 CB THR A 65 9.478 1.042 14.225 1.00 10.00 C ATOM 988 OG1 THR A 65 10.445 0.006 14.373 1.00 10.00 O ATOM 989 CG2 THR A 65 8.677 1.099 15.527 1.00 10.00 C ATOM 0 H THR A 65 8.765 -1.178 13.824 1.00 10.00 H new ATOM 0 HA THR A 65 7.539 1.140 13.198 1.00 10.00 H new ATOM 0 HB THR A 65 9.964 1.996 14.022 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.125 0.091 13.673 1.00 10.00 H new ATOM 0 HG21 THR A 65 9.347 1.323 16.357 1.00 10.00 H new ATOM 0 HG22 THR A 65 7.917 1.877 15.453 1.00 10.00 H new ATOM 0 HG23 THR A 65 8.195 0.137 15.700 1.00 10.00 H new ATOM 997 N ASP A 66 10.160 0.759 11.265 1.00 10.00 N ATOM 998 CA ASP A 66 10.947 1.205 10.137 1.00 10.00 C ATOM 999 C ASP A 66 10.101 1.128 8.866 1.00 10.00 C ATOM 1000 O ASP A 66 10.030 2.073 8.081 1.00 10.00 O ATOM 1001 CB ASP A 66 12.195 0.305 10.078 1.00 10.00 C ATOM 1002 CG ASP A 66 12.910 0.198 11.429 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.238 -0.259 12.391 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.094 0.587 11.482 1.00 10.00 O ATOM 0 H ASP A 66 10.530 -0.101 11.670 1.00 10.00 H new ATOM 0 HA ASP A 66 11.263 2.243 10.236 1.00 10.00 H new ATOM 0 HB2 ASP A 66 11.904 -0.691 9.745 1.00 10.00 H new ATOM 0 HB3 ASP A 66 12.888 0.700 9.335 1.00 10.00 H new ATOM 1009 N ALA A 67 9.406 0.001 8.690 1.00 10.00 N ATOM 1010 CA ALA A 67 8.476 -0.226 7.607 1.00 10.00 C ATOM 1011 C ALA A 67 7.324 0.774 7.719 1.00 10.00 C ATOM 1012 O ALA A 67 6.892 1.357 6.728 1.00 10.00 O ATOM 1013 CB ALA A 67 7.964 -1.670 7.651 1.00 10.00 C ATOM 0 H ALA A 67 9.485 -0.796 9.322 1.00 10.00 H new ATOM 0 HA ALA A 67 8.975 -0.078 6.649 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.264 -1.833 6.832 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.804 -2.357 7.552 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.459 -1.848 8.601 1.00 10.00 H new ATOM 1019 N ARG A 68 6.826 0.969 8.942 1.00 10.00 N ATOM 1020 CA ARG A 68 5.845 1.988 9.293 1.00 10.00 C ATOM 1021 C ARG A 68 6.303 3.365 8.784 1.00 10.00 C ATOM 1022 O ARG A 68 5.581 4.038 8.046 1.00 10.00 O ATOM 1023 CB ARG A 68 5.612 1.962 10.821 1.00 10.00 C ATOM 1024 CG ARG A 68 4.185 1.558 11.207 1.00 10.00 C ATOM 1025 CD ARG A 68 4.011 0.032 11.173 1.00 10.00 C ATOM 1026 NE ARG A 68 2.583 -0.323 11.139 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.077 -1.559 10.991 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.868 -2.636 11.039 1.00 10.00 N ATOM 1029 NH2 ARG A 68 0.762 -1.693 10.781 1.00 10.00 N ATOM 0 H ARG A 68 7.107 0.400 9.740 1.00 10.00 H new ATOM 0 HA ARG A 68 4.891 1.779 8.809 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.316 1.266 11.278 1.00 10.00 H new ATOM 0 HB3 ARG A 68 5.827 2.948 11.232 1.00 10.00 H new ATOM 0 HG2 ARG A 68 3.956 1.931 12.206 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.475 2.023 10.523 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.515 -0.378 10.298 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.482 -0.413 12.049 1.00 10.00 H new ATOM 0 HE ARG A 68 1.915 0.441 11.237 1.00 10.00 H new ATOM 0 HH11 ARG A 68 3.871 -2.526 11.190 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.469 -3.568 10.925 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.166 -0.867 10.736 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.356 -2.622 10.666 1.00 10.00 H new ATOM 1043 N GLU A 69 7.520 3.768 9.156 1.00 10.00 N ATOM 1044 CA GLU A 69 8.146 5.013 8.743 1.00 10.00 C ATOM 1045 C GLU A 69 8.129 5.100 7.216 1.00 10.00 C ATOM 1046 O GLU A 69 7.594 6.049 6.646 1.00 10.00 O ATOM 1047 CB GLU A 69 9.564 5.100 9.343 1.00 10.00 C ATOM 1048 CG GLU A 69 10.029 6.545 9.575 1.00 10.00 C ATOM 1049 CD GLU A 69 9.182 7.271 10.611 1.00 10.00 C ATOM 1050 OE1 GLU A 69 8.694 6.627 11.567 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.893 8.472 10.411 1.00 10.00 O ATOM 0 H GLU A 69 8.112 3.213 9.774 1.00 10.00 H new ATOM 0 HA GLU A 69 7.593 5.874 9.119 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.586 4.561 10.290 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.266 4.601 8.676 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.070 6.541 9.900 1.00 10.00 H new ATOM 0 HG3 GLU A 69 9.991 7.091 8.632 1.00 10.00 H new ATOM 1058 N LEU A 70 8.630 4.052 6.558 1.00 10.00 N ATOM 1059 CA LEU A 70 8.581 3.926 5.109 1.00 10.00 C ATOM 1060 C LEU A 70 7.173 4.163 4.558 1.00 10.00 C ATOM 1061 O LEU A 70 6.985 4.842 3.552 1.00 10.00 O ATOM 1062 CB LEU A 70 9.102 2.545 4.675 1.00 10.00 C ATOM 1063 CG LEU A 70 10.465 2.599 3.968 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.528 3.698 2.898 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.581 2.807 4.990 1.00 10.00 C ATOM 0 H LEU A 70 9.083 3.265 7.023 1.00 10.00 H new ATOM 0 HA LEU A 70 9.226 4.699 4.692 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.182 1.903 5.553 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.374 2.084 4.008 1.00 10.00 H new ATOM 0 HG LEU A 70 10.600 1.643 3.462 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.512 3.693 2.429 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.765 3.514 2.142 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.352 4.668 3.362 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.542 2.844 4.477 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.418 3.744 5.522 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.581 1.982 5.702 1.00 10.00 H new ATOM 1077 N SER A 71 6.163 3.622 5.232 1.00 10.00 N ATOM 1078 CA SER A 71 4.779 3.815 4.843 1.00 10.00 C ATOM 1079 C SER A 71 4.464 5.305 4.793 1.00 10.00 C ATOM 1080 O SER A 71 3.874 5.772 3.822 1.00 10.00 O ATOM 1081 CB SER A 71 3.861 3.043 5.799 1.00 10.00 C ATOM 1082 OG SER A 71 2.748 2.542 5.096 1.00 10.00 O ATOM 0 H SER A 71 6.285 3.040 6.060 1.00 10.00 H new ATOM 0 HA SER A 71 4.606 3.417 3.843 1.00 10.00 H new ATOM 0 HB2 SER A 71 4.410 2.222 6.260 1.00 10.00 H new ATOM 0 HB3 SER A 71 3.528 3.697 6.605 1.00 10.00 H new ATOM 0 HG SER A 71 2.355 3.257 4.553 1.00 10.00 H new ATOM 1088 N LYS A 72 4.905 6.070 5.794 1.00 10.00 N ATOM 1089 CA LYS A 72 4.701 7.517 5.770 1.00 10.00 C ATOM 1090 C LYS A 72 5.248 8.087 4.462 1.00 10.00 C ATOM 1091 O LYS A 72 4.557 8.798 3.739 1.00 10.00 O ATOM 1092 CB LYS A 72 5.374 8.217 6.956 1.00 10.00 C ATOM 1093 CG LYS A 72 5.074 7.535 8.290 1.00 10.00 C ATOM 1094 CD LYS A 72 5.728 8.352 9.410 1.00 10.00 C ATOM 1095 CE LYS A 72 5.675 7.631 10.765 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.673 8.181 11.704 1.00 10.00 N ATOM 0 H LYS A 72 5.396 5.719 6.616 1.00 10.00 H new ATOM 0 HA LYS A 72 3.629 7.701 5.845 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.452 8.237 6.797 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.039 9.253 6.999 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.998 7.469 8.448 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.460 6.515 8.290 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.767 8.555 9.149 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.226 9.316 9.494 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.677 7.729 11.193 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.857 6.566 10.620 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.224 7.403 12.120 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.312 8.824 11.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.187 8.704 12.460 1.00 10.00 H new ATOM 1110 N THR A 73 6.486 7.710 4.156 1.00 10.00 N ATOM 1111 CA THR A 73 7.186 8.072 2.929 1.00 10.00 C ATOM 1112 C THR A 73 6.358 7.719 1.685 1.00 10.00 C ATOM 1113 O THR A 73 6.385 8.451 0.700 1.00 10.00 O ATOM 1114 CB THR A 73 8.563 7.383 2.917 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.062 7.287 4.238 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.595 8.127 2.072 1.00 10.00 C ATOM 0 H THR A 73 7.047 7.125 4.776 1.00 10.00 H new ATOM 0 HA THR A 73 7.332 9.152 2.902 1.00 10.00 H new ATOM 0 HB THR A 73 8.411 6.398 2.476 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.937 6.847 4.226 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.544 7.592 2.103 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.246 8.187 1.041 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.732 9.133 2.468 1.00 10.00 H new ATOM 1124 N PHE A 74 5.632 6.598 1.724 1.00 10.00 N ATOM 1125 CA PHE A 74 4.816 6.115 0.615 1.00 10.00 C ATOM 1126 C PHE A 74 3.405 6.712 0.570 1.00 10.00 C ATOM 1127 O PHE A 74 2.678 6.420 -0.383 1.00 10.00 O ATOM 1128 CB PHE A 74 4.697 4.591 0.688 1.00 10.00 C ATOM 1129 CG PHE A 74 5.984 3.795 0.743 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.158 4.226 0.093 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.966 2.548 1.385 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.322 3.441 0.155 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.102 1.728 1.371 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.301 2.205 0.825 1.00 10.00 C ATOM 0 H PHE A 74 5.597 5.992 2.544 1.00 10.00 H new ATOM 0 HA PHE A 74 5.328 6.436 -0.292 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.108 4.341 1.570 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.130 4.255 -0.180 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.163 5.158 -0.452 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.072 2.218 1.893 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.232 3.787 -0.312 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.054 0.730 1.780 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.207 1.625 0.919 1.00 10.00 H new ATOM 1144 N ILE A 75 2.981 7.486 1.578 1.00 10.00 N ATOM 1145 CA ILE A 75 1.673 8.156 1.506 1.00 10.00 C ATOM 1146 C ILE A 75 1.546 8.969 0.214 1.00 10.00 C ATOM 1147 O ILE A 75 2.439 9.739 -0.133 1.00 10.00 O ATOM 1148 CB ILE A 75 1.384 9.044 2.736 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.036 8.127 3.911 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.205 10.008 2.509 1.00 10.00 C ATOM 1151 CD1 ILE A 75 1.098 8.829 5.271 1.00 10.00 C ATOM 0 H ILE A 75 3.508 7.662 2.433 1.00 10.00 H new ATOM 0 HA ILE A 75 0.922 7.366 1.504 1.00 10.00 H new ATOM 0 HB ILE A 75 2.271 9.647 2.930 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.034 7.725 3.764 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.722 7.280 3.916 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.047 10.607 3.406 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.429 10.665 1.668 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.697 9.435 2.292 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.840 8.121 6.058 1.00 10.00 H new ATOM 0 HD12 ILE A 75 2.106 9.207 5.439 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.392 9.659 5.284 1.00 10.00 H new ATOM 1163 N ILE A 76 0.405 8.820 -0.466 1.00 10.00 N ATOM 1164 CA ILE A 76 0.081 9.539 -1.699 1.00 10.00 C ATOM 1165 C ILE A 76 -1.303 10.192 -1.656 1.00 10.00 C ATOM 1166 O ILE A 76 -1.671 10.907 -2.590 1.00 10.00 O ATOM 1167 CB ILE A 76 0.128 8.558 -2.884 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.596 7.251 -2.512 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.582 8.301 -3.305 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.139 6.489 -3.718 1.00 10.00 C ATOM 0 H ILE A 76 -0.333 8.183 -0.167 1.00 10.00 H new ATOM 0 HA ILE A 76 0.819 10.333 -1.813 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.389 8.997 -3.738 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.093 6.607 -1.966 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.420 7.481 -1.837 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.600 7.605 -4.144 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.046 9.241 -3.603 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.133 7.874 -2.467 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.636 5.580 -3.380 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.853 7.115 -4.253 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.316 6.227 -4.383 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.109 9.882 -0.640 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.556 9.908 -0.790 1.00 10.00 C ATOM 1184 C GLY A 77 -4.175 9.321 0.448 1.00 10.00 C ATOM 1185 O GLY A 77 -3.457 8.855 1.336 1.00 10.00 O ATOM 0 H GLY A 77 -1.783 9.612 0.288 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.903 10.931 -0.939 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.856 9.339 -1.670 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.504 9.308 0.472 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.267 8.811 1.583 1.00 10.00 C ATOM 1191 C GLU A 78 -7.591 8.246 1.102 1.00 10.00 C ATOM 1192 O GLU A 78 -8.134 8.716 0.111 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.594 9.983 2.505 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.364 10.812 2.963 1.00 10.00 C ATOM 1195 CD GLU A 78 -4.818 11.904 2.029 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.349 12.107 0.913 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -3.852 12.564 2.463 1.00 10.00 O ATOM 0 H GLU A 78 -6.079 9.651 -0.298 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.688 8.039 2.090 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.292 10.646 1.993 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.106 9.601 3.388 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.620 11.286 3.911 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.552 10.114 3.165 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.127 7.299 1.860 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.445 6.721 1.642 1.00 10.00 C ATOM 1206 C LEU A 79 -10.498 7.819 1.792 1.00 10.00 C ATOM 1207 O LEU A 79 -10.543 8.500 2.822 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.626 5.576 2.653 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.746 4.546 2.406 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.889 4.709 3.402 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.290 4.505 0.979 1.00 10.00 C ATOM 0 H LEU A 79 -7.643 6.901 2.665 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.555 6.310 0.639 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.683 5.033 2.711 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.797 6.023 3.632 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.258 3.584 2.561 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.659 3.966 3.196 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.512 4.570 4.415 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -12.314 5.708 3.307 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.072 3.749 0.909 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.703 5.480 0.719 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.483 4.257 0.289 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.298 8.032 0.744 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.320 9.063 0.717 1.00 10.00 C ATOM 1225 C HIS A 80 -13.354 8.881 1.844 1.00 10.00 C ATOM 1226 O HIS A 80 -13.382 7.827 2.475 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.959 9.027 -0.675 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.636 10.290 -1.094 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.963 10.448 -1.424 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.008 11.495 -1.230 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.140 11.749 -1.711 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -13.983 12.429 -1.594 1.00 10.00 N ATOM 0 H HIS A 80 -11.248 7.484 -0.115 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.878 10.043 0.899 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.187 8.787 -1.406 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.687 8.216 -0.703 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -11.956 11.690 -1.084 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.083 12.190 -1.997 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -13.845 13.429 -1.742 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.220 9.868 2.150 1.00 10.00 N ATOM 1241 CA PRO A 81 -15.188 9.713 3.215 1.00 10.00 C ATOM 1242 C PRO A 81 -16.405 8.943 2.767 1.00 10.00 C ATOM 1243 O PRO A 81 -16.898 8.104 3.512 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.614 11.126 3.634 1.00 10.00 C ATOM 1245 CG PRO A 81 -14.506 12.015 3.073 1.00 10.00 C ATOM 1246 CD PRO A 81 -14.186 11.268 1.782 1.00 10.00 C ATOM 0 HA PRO A 81 -14.739 9.154 4.036 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.588 11.390 3.222 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.691 11.217 4.717 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.844 13.035 2.890 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.646 12.079 3.740 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.916 11.491 1.004 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -13.208 11.551 1.392 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.911 9.278 1.577 1.00 10.00 N ATOM 1255 CA ASP A 82 -18.173 8.738 1.096 1.00 10.00 C ATOM 1256 C ASP A 82 -18.099 7.204 1.102 1.00 10.00 C ATOM 1257 O ASP A 82 -19.021 6.497 1.496 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.436 9.298 -0.305 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.805 8.877 -0.811 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.794 9.411 -0.265 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.831 8.059 -1.755 1.00 10.00 O ATOM 0 H ASP A 82 -16.459 9.924 0.930 1.00 10.00 H new ATOM 0 HA ASP A 82 -19.001 9.030 1.742 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.371 10.386 -0.284 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.666 8.946 -0.992 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.906 6.758 0.715 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.280 5.462 0.899 1.00 10.00 C ATOM 1268 C ASP A 83 -16.605 4.768 2.230 1.00 10.00 C ATOM 1269 O ASP A 83 -17.218 3.701 2.238 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.764 5.708 0.758 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.211 4.975 -0.449 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.240 3.731 -0.387 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.763 5.651 -1.405 1.00 10.00 O ATOM 0 H ASP A 83 -16.282 7.380 0.201 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.671 4.771 0.153 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.572 6.776 0.660 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.251 5.373 1.659 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.105 5.323 3.342 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.169 4.695 4.661 1.00 10.00 C ATOM 1280 C ARG A 84 -17.464 5.040 5.404 1.00 10.00 C ATOM 1281 O ARG A 84 -17.539 4.742 6.616 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.898 4.996 5.485 1.00 10.00 C ATOM 1283 CG ARG A 84 -14.428 6.459 5.614 1.00 10.00 C ATOM 1284 CD ARG A 84 -15.221 7.311 6.616 1.00 10.00 C ATOM 1285 NE ARG A 84 -16.560 7.632 6.107 1.00 10.00 N ATOM 1286 CZ ARG A 84 -17.642 7.898 6.848 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -17.500 8.306 8.113 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -18.854 7.753 6.310 1.00 10.00 N ATOM 1289 OXT ARG A 84 -18.331 5.713 4.802 1.00 10.00 O ATOM 0 H ARG A 84 -15.640 6.231 3.347 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.197 3.615 4.513 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.058 4.610 6.492 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.079 4.423 5.050 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.378 6.463 5.908 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.486 6.931 4.633 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -15.309 6.776 7.561 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.678 8.233 6.821 1.00 10.00 H new ATOM 0 HE ARG A 84 -16.676 7.654 5.094 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -16.568 8.414 8.512 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -18.324 8.509 8.679 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -18.949 7.442 5.343 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -19.686 7.953 6.865 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.061 -6.070 3.808 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.324 -8.436 5.009 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.380 -3.555 4.548 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.729 -3.675 2.985 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.873 -8.611 2.944 1.00 10.00 C HETATM 1309 NA HEM A 201 8.008 -6.006 4.602 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.697 -7.087 5.075 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.879 -6.579 5.744 1.00 10.00 C HETATM 1312 C3A HEM A 201 9.957 -5.232 5.467 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.724 -4.865 4.828 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.048 -4.263 5.862 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.702 -7.313 6.782 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.084 -7.206 8.189 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.166 -5.797 8.783 1.00 10.00 C HETATM 1318 O1A HEM A 201 11.259 -5.201 8.699 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.154 -5.343 9.365 1.00 10.00 O HETATM 1320 NB HEM A 201 6.070 -4.013 3.746 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.136 -3.197 4.061 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.739 -1.834 3.815 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.447 -1.892 3.372 1.00 10.00 C HETATM 1324 C4B HEM A 201 5.004 -3.260 3.360 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.568 -0.592 4.011 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.793 -0.808 2.561 1.00 10.00 C HETATM 1327 CBB HEM A 201 4.015 0.103 3.168 1.00 10.00 C HETATM 1328 NC HEM A 201 4.138 -6.130 3.131 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.361 -5.019 2.898 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.042 -5.494 2.551 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.141 -6.853 2.434 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.441 -7.282 2.864 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.776 -4.697 2.438 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.051 -7.742 1.891 1.00 10.00 C HETATM 1335 CBC HEM A 201 1.263 -8.507 0.804 1.00 10.00 C HETATM 1336 ND HEM A 201 6.114 -8.157 3.898 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.120 -8.973 3.446 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.563 -10.335 3.604 1.00 10.00 C HETATM 1339 C3D HEM A 201 6.806 -10.287 4.202 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.144 -8.894 4.400 1.00 10.00 C HETATM 1341 CMD HEM A 201 4.763 -11.563 3.221 1.00 10.00 C HETATM 1342 CAD HEM A 201 7.687 -11.456 4.574 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.583 -11.817 6.058 1.00 10.00 C HETATM 1344 CGD HEM A 201 8.812 -12.613 6.474 1.00 10.00 C HETATM 1345 O1D HEM A 201 9.884 -11.975 6.559 1.00 10.00 O HETATM 1346 O2D HEM A 201 8.664 -13.838 6.667 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.048 -3.415 5.177 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.014 -4.765 5.817 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 10.870 -3.909 6.877 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.280 -0.754 4.821 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.916 0.245 4.262 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.109 -0.367 3.092 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.123 -5.155 1.695 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 1.014 -3.678 2.133 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.271 -4.678 3.404 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.699 -11.350 3.321 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.031 -12.391 3.877 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 4.983 -11.833 2.188 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.539 0.890 2.583 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 3.859 0.055 4.246 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 0.466 -9.145 0.423 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 2.232 -8.489 0.305 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 10.592 -7.903 8.855 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.039 -7.513 8.143 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.713 -6.905 6.798 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 10.786 -8.363 6.502 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 6.680 -12.400 6.239 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.503 -10.911 6.659 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 8.723 -11.218 4.333 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.410 -12.322 3.972 1.00 10.00 H new HETATM 0 HHA HEM A 201 8.983 -9.167 5.453 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.113 -2.780 4.717 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.991 -2.923 2.751 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.209 -9.391 2.601 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.950 -0.762 1.483 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.080 -7.765 2.385 1.00 10.00 H new