USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=24 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 SER OG : rot 116:sc= 1.41 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.824 K(o=-1.8,f=-10) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.341 K(o=-1.8,f=-10!) USER MOD Set 2.3: A 61 HIS : no HE2:sc= -0.964 K(o=-1.8,f=-5.4!) USER MOD Set 2.4: A 201 HEM CMD :methyl -30:sc= -1.95 (180deg=-0.43) USER MOD Set 3.1: A 15 HIS : no HE2:sc= 0.0912 K(o=2.4,f=-8.2!) USER MOD Set 3.2: A 20 SER OG : rot 64:sc= 2.28 USER MOD Set 4.1: A 5 LYS NZ :NH3+ 177:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 7 TYR OH : rot 180:sc= 1.1 USER MOD Single : A 6 TYR OH : rot -25:sc= 2.31 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0654 USER MOD Single : A 13 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.8!) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 1.65 (180deg=0.532!) USER MOD Single : A 16 ASN : amide:sc= 0.538 K(o=0.54,f=-2.4!) USER MOD Single : A 17 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.0507 USER MOD Single : A 26 HIS : no HE2:sc= 0.659 K(o=0.66,f=-14!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.1) USER MOD Single : A 33 THR OG1 : rot 148:sc= 1.56 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 53:sc= 0.952 USER MOD Single : A 64 SER OG : rot 180:sc= 0.205 USER MOD Single : A 65 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= 0.647 (180deg=-3.77!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.2) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.0892 (180deg=-0.0892) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.238 (180deg=-1.66!) USER MOD Single : A 201 HEM CMC :methyl -30:sc=-0.00427 (180deg=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -7.212 21.581 0.843 1.00 10.00 N ATOM 2 CA ALA A 3 -7.585 20.265 1.389 1.00 10.00 C ATOM 3 C ALA A 3 -6.435 19.317 1.066 1.00 10.00 C ATOM 4 O ALA A 3 -5.362 19.826 0.745 1.00 10.00 O ATOM 5 CB ALA A 3 -8.931 19.795 0.824 1.00 10.00 C ATOM 0 HA ALA A 3 -7.732 20.304 2.468 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -9.182 18.821 1.244 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -9.707 20.514 1.087 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -8.862 19.716 -0.261 1.00 10.00 H new ATOM 13 N VAL A 4 -6.649 18.001 1.121 1.00 10.00 N ATOM 14 CA VAL A 4 -5.718 17.031 0.556 1.00 10.00 C ATOM 15 C VAL A 4 -6.000 16.967 -0.952 1.00 10.00 C ATOM 16 O VAL A 4 -6.444 17.955 -1.537 1.00 10.00 O ATOM 17 CB VAL A 4 -5.883 15.651 1.243 1.00 10.00 C ATOM 18 CG1 VAL A 4 -4.531 14.934 1.364 1.00 10.00 C ATOM 19 CG2 VAL A 4 -6.545 15.716 2.615 1.00 10.00 C ATOM 0 H VAL A 4 -7.470 17.582 1.557 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.683 17.328 0.725 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.553 15.087 0.594 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -4.673 13.968 1.849 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.109 14.782 0.370 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -3.849 15.542 1.959 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.624 14.711 3.029 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -5.944 16.336 3.280 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -7.541 16.148 2.518 1.00 10.00 H new ATOM 29 N LYS A 5 -5.849 15.786 -1.558 1.00 10.00 N ATOM 30 CA LYS A 5 -6.689 15.403 -2.677 1.00 10.00 C ATOM 31 C LYS A 5 -7.781 14.506 -2.112 1.00 10.00 C ATOM 32 O LYS A 5 -8.968 14.755 -2.294 1.00 10.00 O ATOM 33 CB LYS A 5 -5.884 14.647 -3.744 1.00 10.00 C ATOM 34 CG LYS A 5 -4.817 15.513 -4.426 1.00 10.00 C ATOM 35 CD LYS A 5 -3.886 14.662 -5.308 1.00 10.00 C ATOM 36 CE LYS A 5 -4.604 14.055 -6.527 1.00 10.00 C ATOM 37 NZ LYS A 5 -3.742 13.107 -7.267 1.00 10.00 N ATOM 0 H LYS A 5 -5.155 15.088 -1.289 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.106 16.286 -3.161 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.402 13.785 -3.283 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.568 14.263 -4.501 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -5.300 16.277 -5.035 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.230 16.033 -3.669 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.056 15.279 -5.652 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -3.459 13.859 -4.707 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -5.507 13.541 -6.196 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -4.920 14.855 -7.196 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -4.282 12.685 -8.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.918 13.613 -7.649 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -3.420 12.356 -6.624 1.00 10.00 H new ATOM 51 N TYR A 6 -7.321 13.469 -1.410 1.00 10.00 N ATOM 52 CA TYR A 6 -8.084 12.288 -1.084 1.00 10.00 C ATOM 53 C TYR A 6 -8.371 11.486 -2.332 1.00 10.00 C ATOM 54 O TYR A 6 -8.214 11.941 -3.464 1.00 10.00 O ATOM 55 CB TYR A 6 -9.374 12.550 -0.305 1.00 10.00 C ATOM 56 CG TYR A 6 -9.279 13.177 1.061 1.00 10.00 C ATOM 57 CD1 TYR A 6 -8.089 12.993 1.778 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.482 13.333 1.775 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.139 12.669 3.133 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.531 13.001 3.140 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.367 12.582 3.801 1.00 10.00 C ATOM 62 OH TYR A 6 -9.469 11.921 4.993 1.00 10.00 O ATOM 0 H TYR A 6 -6.369 13.439 -1.044 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.453 11.714 -0.405 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.007 13.190 -0.919 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -9.894 11.598 -0.196 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.136 13.102 1.282 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.364 13.706 1.276 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.222 12.483 3.673 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -11.464 13.068 3.679 1.00 10.00 H new ATOM 0 HH TYR A 6 -8.756 11.252 5.058 1.00 10.00 H new ATOM 72 N TYR A 7 -8.691 10.232 -2.061 1.00 10.00 N ATOM 73 CA TYR A 7 -8.579 9.179 -3.023 1.00 10.00 C ATOM 74 C TYR A 7 -9.701 8.186 -2.779 1.00 10.00 C ATOM 75 O TYR A 7 -9.959 7.752 -1.660 1.00 10.00 O ATOM 76 CB TYR A 7 -7.176 8.592 -2.842 1.00 10.00 C ATOM 77 CG TYR A 7 -6.101 8.918 -3.871 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.340 9.758 -4.982 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.770 8.650 -3.507 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.288 10.483 -5.561 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.715 9.357 -4.104 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.981 10.325 -5.081 1.00 10.00 C ATOM 83 OH TYR A 7 -2.999 11.187 -5.481 1.00 10.00 O ATOM 0 H TYR A 7 -9.039 9.926 -1.152 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.686 9.507 -4.057 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.808 8.914 -1.868 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.276 7.507 -2.802 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.338 9.842 -5.387 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.558 7.896 -2.764 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.485 11.163 -6.377 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.696 9.154 -3.810 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.152 10.938 -5.055 1.00 10.00 H new ATOM 93 N THR A 8 -10.417 7.899 -3.851 1.00 10.00 N ATOM 94 CA THR A 8 -11.627 7.113 -3.832 1.00 10.00 C ATOM 95 C THR A 8 -11.246 5.646 -3.984 1.00 10.00 C ATOM 96 O THR A 8 -10.270 5.339 -4.665 1.00 10.00 O ATOM 97 CB THR A 8 -12.505 7.581 -4.996 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.706 7.655 -6.164 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.074 8.972 -4.708 1.00 10.00 C ATOM 0 H THR A 8 -10.161 8.219 -4.785 1.00 10.00 H new ATOM 0 HA THR A 8 -12.178 7.233 -2.899 1.00 10.00 H new ATOM 0 HB THR A 8 -13.327 6.877 -5.129 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.256 7.952 -6.919 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.696 9.291 -5.544 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.676 8.938 -3.800 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.256 9.679 -4.574 1.00 10.00 H new ATOM 107 N LEU A 9 -12.023 4.732 -3.406 1.00 10.00 N ATOM 108 CA LEU A 9 -11.897 3.305 -3.681 1.00 10.00 C ATOM 109 C LEU A 9 -11.781 3.045 -5.183 1.00 10.00 C ATOM 110 O LEU A 9 -10.933 2.263 -5.597 1.00 10.00 O ATOM 111 CB LEU A 9 -13.036 2.560 -2.982 1.00 10.00 C ATOM 112 CG LEU A 9 -13.346 1.125 -3.445 1.00 10.00 C ATOM 113 CD1 LEU A 9 -14.041 0.378 -2.301 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.269 1.079 -4.671 1.00 10.00 C ATOM 0 H LEU A 9 -12.756 4.961 -2.735 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.969 2.910 -3.267 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.810 2.527 -1.916 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.944 3.152 -3.097 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.398 0.664 -3.721 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.267 -0.641 -2.616 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.384 0.352 -1.431 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.967 0.891 -2.041 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.451 0.041 -4.950 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.216 1.562 -4.432 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.796 1.601 -5.503 1.00 10.00 H new ATOM 126 N GLU A 10 -12.566 3.761 -5.997 1.00 10.00 N ATOM 127 CA GLU A 10 -12.449 3.765 -7.451 1.00 10.00 C ATOM 128 C GLU A 10 -10.979 3.825 -7.883 1.00 10.00 C ATOM 129 O GLU A 10 -10.477 2.897 -8.524 1.00 10.00 O ATOM 130 CB GLU A 10 -13.244 4.958 -8.007 1.00 10.00 C ATOM 131 CG GLU A 10 -13.292 5.023 -9.540 1.00 10.00 C ATOM 132 CD GLU A 10 -14.017 3.834 -10.153 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.262 3.877 -10.186 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.301 2.900 -10.577 1.00 10.00 O ATOM 0 H GLU A 10 -13.313 4.364 -5.652 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.861 2.840 -7.854 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.264 4.911 -7.625 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.804 5.881 -7.629 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.789 5.944 -9.846 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.275 5.065 -9.930 1.00 10.00 H new ATOM 141 N GLU A 11 -10.290 4.910 -7.520 1.00 10.00 N ATOM 142 CA GLU A 11 -8.883 5.112 -7.845 1.00 10.00 C ATOM 143 C GLU A 11 -8.039 4.026 -7.200 1.00 10.00 C ATOM 144 O GLU A 11 -7.179 3.414 -7.829 1.00 10.00 O ATOM 145 CB GLU A 11 -8.399 6.463 -7.297 1.00 10.00 C ATOM 146 CG GLU A 11 -8.873 7.665 -8.121 1.00 10.00 C ATOM 147 CD GLU A 11 -7.923 7.956 -9.276 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.088 7.301 -10.328 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.042 8.822 -9.074 1.00 10.00 O ATOM 0 H GLU A 11 -10.700 5.677 -6.988 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.781 5.084 -8.930 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.749 6.576 -6.271 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.310 6.463 -7.264 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.872 7.470 -8.510 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.947 8.542 -7.478 1.00 10.00 H new ATOM 156 N ILE A 12 -8.247 3.833 -5.902 1.00 10.00 N ATOM 157 CA ILE A 12 -7.338 3.036 -5.119 1.00 10.00 C ATOM 158 C ILE A 12 -7.285 1.621 -5.681 1.00 10.00 C ATOM 159 O ILE A 12 -6.199 1.085 -5.886 1.00 10.00 O ATOM 160 CB ILE A 12 -7.703 3.092 -3.625 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.577 4.521 -3.067 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.780 2.173 -2.830 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.415 4.714 -1.803 1.00 10.00 C ATOM 0 H ILE A 12 -9.035 4.219 -5.381 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.330 3.446 -5.189 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.739 2.767 -3.527 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.531 4.734 -2.845 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.894 5.237 -3.826 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.044 2.218 -1.773 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.889 1.149 -3.188 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.747 2.495 -2.960 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.298 5.736 -1.441 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.465 4.527 -2.030 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.081 4.017 -1.035 1.00 10.00 H new ATOM 175 N GLN A 13 -8.451 1.051 -5.993 1.00 10.00 N ATOM 176 CA GLN A 13 -8.537 -0.284 -6.566 1.00 10.00 C ATOM 177 C GLN A 13 -7.769 -0.314 -7.878 1.00 10.00 C ATOM 178 O GLN A 13 -7.002 -1.230 -8.151 1.00 10.00 O ATOM 179 CB GLN A 13 -9.993 -0.661 -6.854 1.00 10.00 C ATOM 180 CG GLN A 13 -10.756 -1.077 -5.596 1.00 10.00 C ATOM 181 CD GLN A 13 -12.197 -1.463 -5.914 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.608 -1.242 -7.075 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.857 -1.988 -4.993 1.00 10.00 N ATOM 0 H GLN A 13 -9.355 1.503 -5.855 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.117 -0.992 -5.852 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.499 0.187 -7.317 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.016 -1.478 -7.575 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.249 -1.919 -5.124 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.749 -0.257 -4.878 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.432 -2.127 -4.076 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.821 -2.278 -5.158 1.00 10.00 H new ATOM 190 N LYS A 14 -8.021 0.703 -8.699 1.00 10.00 N ATOM 191 CA LYS A 14 -7.416 0.870 -10.004 1.00 10.00 C ATOM 192 C LYS A 14 -5.888 0.738 -9.906 1.00 10.00 C ATOM 193 O LYS A 14 -5.257 0.043 -10.706 1.00 10.00 O ATOM 194 CB LYS A 14 -7.838 2.249 -10.526 1.00 10.00 C ATOM 195 CG LYS A 14 -8.032 2.342 -12.038 1.00 10.00 C ATOM 196 CD LYS A 14 -9.257 1.563 -12.558 1.00 10.00 C ATOM 197 CE LYS A 14 -10.625 2.094 -12.083 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.069 1.588 -10.763 1.00 10.00 N ATOM 0 H LYS A 14 -8.672 1.452 -8.461 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.750 0.097 -10.696 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.770 2.534 -10.038 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.085 2.979 -10.227 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.134 3.390 -12.318 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.137 1.966 -12.533 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.239 1.576 -13.648 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.163 0.522 -12.250 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.581 3.182 -12.042 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.377 1.833 -12.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.093 1.739 -10.660 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -10.860 0.572 -10.693 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.566 2.098 -10.009 1.00 10.00 H new ATOM 212 N HIS A 15 -5.291 1.408 -8.919 1.00 10.00 N ATOM 213 CA HIS A 15 -3.856 1.363 -8.689 1.00 10.00 C ATOM 214 C HIS A 15 -3.419 0.062 -8.004 1.00 10.00 C ATOM 215 O HIS A 15 -2.970 0.054 -6.857 1.00 10.00 O ATOM 216 CB HIS A 15 -3.428 2.587 -7.888 1.00 10.00 C ATOM 217 CG HIS A 15 -3.305 3.840 -8.712 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.124 4.489 -8.964 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.295 4.508 -9.383 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.388 5.522 -9.780 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.696 5.569 -10.073 1.00 10.00 N ATOM 0 H HIS A 15 -5.796 1.998 -8.257 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.355 1.380 -9.657 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.150 2.758 -7.090 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.469 2.381 -7.412 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.208 4.233 -8.597 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.346 4.261 -9.380 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.650 6.218 -10.149 1.00 10.00 H new ATOM 229 N ASN A 16 -3.486 -1.039 -8.749 1.00 10.00 N ATOM 230 CA ASN A 16 -2.945 -2.328 -8.319 1.00 10.00 C ATOM 231 C ASN A 16 -2.544 -3.231 -9.483 1.00 10.00 C ATOM 232 O ASN A 16 -2.628 -4.452 -9.373 1.00 10.00 O ATOM 233 CB ASN A 16 -3.909 -3.032 -7.355 1.00 10.00 C ATOM 234 CG ASN A 16 -5.176 -3.602 -7.990 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.399 -3.512 -9.196 1.00 10.00 O ATOM 236 ND2 ASN A 16 -6.018 -4.216 -7.162 1.00 10.00 N ATOM 0 H ASN A 16 -3.919 -1.063 -9.672 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.021 -2.116 -7.781 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.374 -3.844 -6.862 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.200 -2.324 -6.579 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.878 -4.629 -7.523 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.803 -4.273 -6.166 1.00 10.00 H new ATOM 243 N ASN A 17 -2.087 -2.653 -10.600 1.00 10.00 N ATOM 244 CA ASN A 17 -1.800 -3.444 -11.793 1.00 10.00 C ATOM 245 C ASN A 17 -0.702 -2.816 -12.646 1.00 10.00 C ATOM 246 O ASN A 17 -0.945 -2.396 -13.777 1.00 10.00 O ATOM 247 CB ASN A 17 -3.093 -3.671 -12.589 1.00 10.00 C ATOM 248 CG ASN A 17 -2.883 -4.615 -13.771 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.861 -5.288 -13.880 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.859 -4.686 -14.672 1.00 10.00 N ATOM 0 H ASN A 17 -1.911 -1.653 -10.699 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.416 -4.415 -11.479 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.857 -4.082 -11.929 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -3.467 -2.714 -12.952 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -3.768 -5.309 -15.475 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -4.698 -4.118 -14.560 1.00 10.00 H new ATOM 257 N SER A 18 0.517 -2.754 -12.099 1.00 10.00 N ATOM 258 CA SER A 18 1.772 -2.464 -12.801 1.00 10.00 C ATOM 259 C SER A 18 1.930 -0.958 -13.008 1.00 10.00 C ATOM 260 O SER A 18 2.933 -0.374 -12.607 1.00 10.00 O ATOM 261 CB SER A 18 1.890 -3.272 -14.106 1.00 10.00 C ATOM 262 OG SER A 18 3.209 -3.211 -14.611 1.00 10.00 O ATOM 0 H SER A 18 0.662 -2.913 -11.102 1.00 10.00 H new ATOM 0 HA SER A 18 2.606 -2.788 -12.178 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.612 -4.310 -13.924 1.00 10.00 H new ATOM 0 HB3 SER A 18 1.193 -2.881 -14.847 1.00 10.00 H new ATOM 0 HG SER A 18 3.266 -3.731 -15.440 1.00 10.00 H new ATOM 268 N LYS A 19 0.879 -0.343 -13.556 1.00 10.00 N ATOM 269 CA LYS A 19 0.481 1.044 -13.377 1.00 10.00 C ATOM 270 C LYS A 19 1.158 1.712 -12.178 1.00 10.00 C ATOM 271 O LYS A 19 1.819 2.739 -12.313 1.00 10.00 O ATOM 272 CB LYS A 19 -1.040 1.027 -13.134 1.00 10.00 C ATOM 273 CG LYS A 19 -1.876 0.934 -14.416 1.00 10.00 C ATOM 274 CD LYS A 19 -1.914 2.282 -15.152 1.00 10.00 C ATOM 275 CE LYS A 19 -2.859 2.211 -16.360 1.00 10.00 C ATOM 276 NZ LYS A 19 -2.959 3.509 -17.061 1.00 10.00 N ATOM 0 H LYS A 19 0.243 -0.841 -14.179 1.00 10.00 H new ATOM 0 HA LYS A 19 0.774 1.614 -14.259 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -1.285 0.182 -12.491 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.321 1.931 -12.594 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -1.458 0.170 -15.072 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -2.891 0.622 -14.170 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -2.245 3.066 -14.470 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -0.911 2.550 -15.483 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -2.503 1.450 -17.055 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -3.850 1.901 -16.028 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -3.606 3.418 -17.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -3.323 4.230 -16.406 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -2.018 3.793 -17.401 1.00 10.00 H new ATOM 290 N SER A 20 0.899 1.152 -10.999 1.00 10.00 N ATOM 291 CA SER A 20 1.218 1.675 -9.693 1.00 10.00 C ATOM 292 C SER A 20 0.477 0.739 -8.739 1.00 10.00 C ATOM 293 O SER A 20 -0.547 0.162 -9.120 1.00 10.00 O ATOM 294 CB SER A 20 0.787 3.149 -9.593 1.00 10.00 C ATOM 295 OG SER A 20 0.411 3.546 -8.289 1.00 10.00 O ATOM 0 H SER A 20 0.424 0.252 -10.938 1.00 10.00 H new ATOM 0 HA SER A 20 2.283 1.694 -9.460 1.00 10.00 H new ATOM 0 HB2 SER A 20 1.607 3.782 -9.933 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.050 3.320 -10.270 1.00 10.00 H new ATOM 0 HG SER A 20 1.185 3.480 -7.691 1.00 10.00 H new ATOM 301 N THR A 21 1.051 0.537 -7.559 1.00 10.00 N ATOM 302 CA THR A 21 0.571 -0.366 -6.530 1.00 10.00 C ATOM 303 C THR A 21 0.341 0.436 -5.253 1.00 10.00 C ATOM 304 O THR A 21 1.293 0.757 -4.537 1.00 10.00 O ATOM 305 CB THR A 21 1.571 -1.515 -6.356 1.00 10.00 C ATOM 306 OG1 THR A 21 1.464 -2.354 -7.491 1.00 10.00 O ATOM 307 CG2 THR A 21 1.280 -2.334 -5.098 1.00 10.00 C ATOM 0 H THR A 21 1.904 1.024 -7.284 1.00 10.00 H new ATOM 0 HA THR A 21 -0.380 -0.822 -6.806 1.00 10.00 H new ATOM 0 HB THR A 21 2.574 -1.101 -6.255 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.835 -3.237 -7.281 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.010 -3.138 -5.010 1.00 10.00 H new ATOM 0 HG22 THR A 21 1.343 -1.689 -4.221 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.278 -2.759 -5.164 1.00 10.00 H new ATOM 315 N TRP A 22 -0.931 0.750 -5.001 1.00 10.00 N ATOM 316 CA TRP A 22 -1.429 1.451 -3.830 1.00 10.00 C ATOM 317 C TRP A 22 -1.920 0.429 -2.810 1.00 10.00 C ATOM 318 O TRP A 22 -2.310 -0.670 -3.187 1.00 10.00 O ATOM 319 CB TRP A 22 -2.572 2.375 -4.268 1.00 10.00 C ATOM 320 CG TRP A 22 -2.168 3.637 -4.974 1.00 10.00 C ATOM 321 CD1 TRP A 22 -0.959 3.901 -5.514 1.00 10.00 C ATOM 322 CD2 TRP A 22 -2.998 4.783 -5.317 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.996 5.099 -6.192 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.250 5.673 -6.140 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.319 5.154 -5.015 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.818 6.829 -6.701 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.921 6.269 -5.618 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.184 7.088 -6.490 1.00 10.00 C ATOM 0 H TRP A 22 -1.679 0.505 -5.650 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.642 2.049 -3.371 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.236 1.812 -4.924 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.151 2.646 -3.385 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.090 3.266 -5.427 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.196 5.511 -6.673 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -4.883 4.569 -4.304 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.215 7.508 -7.285 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.956 6.499 -5.411 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.664 7.913 -6.996 1.00 10.00 H new ATOM 339 N LEU A 23 -1.948 0.778 -1.524 1.00 10.00 N ATOM 340 CA LEU A 23 -2.694 0.034 -0.519 1.00 10.00 C ATOM 341 C LEU A 23 -3.186 1.023 0.516 1.00 10.00 C ATOM 342 O LEU A 23 -2.681 2.147 0.577 1.00 10.00 O ATOM 343 CB LEU A 23 -1.911 -1.119 0.147 1.00 10.00 C ATOM 344 CG LEU A 23 -0.410 -1.255 -0.135 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.340 -0.594 1.017 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.007 -2.733 -0.216 1.00 10.00 C ATOM 0 H LEU A 23 -1.451 1.588 -1.153 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.521 -0.464 -1.025 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.036 -1.023 1.225 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.388 -2.054 -0.147 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.169 -0.781 -1.087 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.413 -0.674 0.846 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.060 0.458 1.078 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.083 -1.093 1.952 1.00 10.00 H new ATOM 0 HD21 LEU A 23 1.062 -2.808 -0.417 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.234 -3.224 0.730 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.562 -3.218 -1.019 1.00 10.00 H new ATOM 358 N ILE A 24 -4.169 0.596 1.311 1.00 10.00 N ATOM 359 CA ILE A 24 -4.695 1.381 2.414 1.00 10.00 C ATOM 360 C ILE A 24 -4.247 0.749 3.721 1.00 10.00 C ATOM 361 O ILE A 24 -4.403 -0.452 3.913 1.00 10.00 O ATOM 362 CB ILE A 24 -6.229 1.526 2.342 1.00 10.00 C ATOM 363 CG1 ILE A 24 -6.778 1.506 0.910 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.619 2.817 3.053 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.305 1.534 0.850 1.00 10.00 C ATOM 0 H ILE A 24 -4.621 -0.312 1.201 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.299 2.394 2.350 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.674 0.661 2.834 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.384 2.363 0.365 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.417 0.612 0.402 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.701 2.941 3.015 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.296 2.772 4.093 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.139 3.663 2.560 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.629 1.518 -0.191 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.706 0.663 1.368 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.671 2.441 1.330 1.00 10.00 H new ATOM 377 N LEU A 25 -3.649 1.550 4.597 1.00 10.00 N ATOM 378 CA LEU A 25 -3.281 1.153 5.944 1.00 10.00 C ATOM 379 C LEU A 25 -3.911 2.222 6.846 1.00 10.00 C ATOM 380 O LEU A 25 -3.556 3.396 6.747 1.00 10.00 O ATOM 381 CB LEU A 25 -1.749 1.074 6.055 1.00 10.00 C ATOM 382 CG LEU A 25 -1.128 -0.323 5.795 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.400 -0.919 4.411 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.392 -0.383 6.023 1.00 10.00 C ATOM 0 H LEU A 25 -3.403 2.516 4.381 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.638 0.164 6.232 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.315 1.782 5.349 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.458 1.401 7.053 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.649 -0.923 6.541 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.921 -1.895 4.335 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.475 -1.030 4.267 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.998 -0.257 3.644 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.751 -1.392 5.821 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.888 0.319 5.353 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.616 -0.119 7.057 1.00 10.00 H new ATOM 396 N HIS A 26 -4.896 1.847 7.668 1.00 10.00 N ATOM 397 CA HIS A 26 -5.658 2.761 8.522 1.00 10.00 C ATOM 398 C HIS A 26 -6.227 3.933 7.723 1.00 10.00 C ATOM 399 O HIS A 26 -6.109 5.084 8.138 1.00 10.00 O ATOM 400 CB HIS A 26 -4.804 3.302 9.676 1.00 10.00 C ATOM 401 CG HIS A 26 -4.006 2.264 10.401 1.00 10.00 C ATOM 402 ND1 HIS A 26 -4.364 1.621 11.563 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.720 1.919 10.100 1.00 10.00 C ATOM 404 CE1 HIS A 26 -3.304 0.897 11.957 1.00 10.00 C ATOM 405 NE2 HIS A 26 -2.275 1.059 11.106 1.00 10.00 N ATOM 0 H HIS A 26 -5.192 0.875 7.760 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.483 2.181 8.936 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -4.122 4.057 9.283 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.457 3.803 10.390 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -5.265 1.683 12.036 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -2.152 2.250 9.243 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -3.281 0.271 12.836 1.00 10.00 H new ATOM 413 N TYR A 27 -6.810 3.652 6.556 1.00 10.00 N ATOM 414 CA TYR A 27 -7.384 4.662 5.675 1.00 10.00 C ATOM 415 C TYR A 27 -6.341 5.522 4.945 1.00 10.00 C ATOM 416 O TYR A 27 -6.715 6.228 4.011 1.00 10.00 O ATOM 417 CB TYR A 27 -8.437 5.520 6.392 1.00 10.00 C ATOM 418 CG TYR A 27 -9.441 4.723 7.206 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.204 3.713 6.589 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.643 5.016 8.568 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.215 3.053 7.307 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.634 4.333 9.294 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.425 3.359 8.662 1.00 10.00 C ATOM 424 OH TYR A 27 -12.404 2.726 9.368 1.00 10.00 O ATOM 0 H TYR A 27 -6.896 2.702 6.194 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.893 4.102 4.891 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.928 6.223 7.051 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.975 6.110 5.650 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.011 3.445 5.561 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.037 5.765 9.055 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.830 2.312 6.818 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -10.788 4.557 10.339 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.409 3.058 10.290 1.00 10.00 H new ATOM 434 N LYS A 28 -5.054 5.479 5.317 1.00 10.00 N ATOM 435 CA LYS A 28 -4.029 6.255 4.629 1.00 10.00 C ATOM 436 C LYS A 28 -3.597 5.481 3.388 1.00 10.00 C ATOM 437 O LYS A 28 -3.339 4.283 3.486 1.00 10.00 O ATOM 438 CB LYS A 28 -2.817 6.506 5.538 1.00 10.00 C ATOM 439 CG LYS A 28 -3.026 7.397 6.779 1.00 10.00 C ATOM 440 CD LYS A 28 -4.433 7.982 6.984 1.00 10.00 C ATOM 441 CE LYS A 28 -4.520 8.929 8.190 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.810 10.203 7.962 1.00 10.00 N ATOM 0 H LYS A 28 -4.705 4.914 6.091 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.439 7.226 4.352 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.446 5.539 5.878 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.030 6.954 4.932 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.769 6.814 7.663 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.319 8.225 6.726 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.731 8.520 6.084 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.144 7.166 7.118 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.567 9.135 8.411 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.101 8.435 9.066 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.928 10.819 8.792 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.798 10.015 7.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.203 10.674 7.122 1.00 10.00 H new ATOM 456 N VAL A 29 -3.530 6.157 2.236 1.00 10.00 N ATOM 457 CA VAL A 29 -3.194 5.527 0.965 1.00 10.00 C ATOM 458 C VAL A 29 -1.701 5.670 0.696 1.00 10.00 C ATOM 459 O VAL A 29 -1.124 6.757 0.801 1.00 10.00 O ATOM 460 CB VAL A 29 -4.038 6.062 -0.194 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.627 5.421 -1.519 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.508 5.694 -0.004 1.00 10.00 C ATOM 0 H VAL A 29 -3.709 7.159 2.164 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.434 4.466 1.040 1.00 10.00 H new ATOM 0 HB VAL A 29 -3.886 7.141 -0.210 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.244 5.821 -2.324 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.579 5.643 -1.721 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.764 4.341 -1.459 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.091 6.083 -0.838 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.609 4.609 0.035 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -5.874 6.126 0.927 1.00 10.00 H new ATOM 472 N TYR A 30 -1.108 4.529 0.357 1.00 10.00 N ATOM 473 CA TYR A 30 0.311 4.254 0.320 1.00 10.00 C ATOM 474 C TYR A 30 0.638 3.631 -1.037 1.00 10.00 C ATOM 475 O TYR A 30 0.254 2.488 -1.268 1.00 10.00 O ATOM 476 CB TYR A 30 0.551 3.223 1.432 1.00 10.00 C ATOM 477 CG TYR A 30 0.603 3.702 2.874 1.00 10.00 C ATOM 478 CD1 TYR A 30 0.557 5.064 3.234 1.00 10.00 C ATOM 479 CD2 TYR A 30 0.675 2.728 3.885 1.00 10.00 C ATOM 480 CE1 TYR A 30 0.554 5.433 4.590 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.769 3.110 5.234 1.00 10.00 C ATOM 482 CZ TYR A 30 0.685 4.461 5.589 1.00 10.00 C ATOM 483 OH TYR A 30 0.738 4.824 6.903 1.00 10.00 O ATOM 0 H TYR A 30 -1.656 3.714 0.081 1.00 10.00 H new ATOM 0 HA TYR A 30 0.924 5.145 0.458 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.236 2.472 1.362 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.493 2.719 1.217 1.00 10.00 H new ATOM 0 HD1 TYR A 30 0.524 5.824 2.468 1.00 10.00 H new ATOM 0 HD2 TYR A 30 0.658 1.680 3.623 1.00 10.00 H new ATOM 0 HE1 TYR A 30 0.450 6.473 4.863 1.00 10.00 H new ATOM 0 HE2 TYR A 30 0.906 2.359 5.998 1.00 10.00 H new ATOM 0 HH TYR A 30 0.829 4.023 7.460 1.00 10.00 H new ATOM 493 N ASP A 31 1.347 4.353 -1.911 1.00 10.00 N ATOM 494 CA ASP A 31 1.940 3.791 -3.122 1.00 10.00 C ATOM 495 C ASP A 31 3.269 3.194 -2.717 1.00 10.00 C ATOM 496 O ASP A 31 3.983 3.845 -1.958 1.00 10.00 O ATOM 497 CB ASP A 31 2.243 4.873 -4.164 1.00 10.00 C ATOM 498 CG ASP A 31 2.873 4.256 -5.407 1.00 10.00 C ATOM 499 OD1 ASP A 31 4.098 4.022 -5.404 1.00 10.00 O ATOM 500 OD2 ASP A 31 2.131 3.941 -6.362 1.00 10.00 O ATOM 0 H ASP A 31 1.525 5.351 -1.794 1.00 10.00 H new ATOM 0 HA ASP A 31 1.246 3.070 -3.554 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.324 5.393 -4.435 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.917 5.617 -3.739 1.00 10.00 H new ATOM 505 N LEU A 32 3.618 2.006 -3.210 1.00 10.00 N ATOM 506 CA LEU A 32 4.971 1.504 -3.014 1.00 10.00 C ATOM 507 C LEU A 32 5.721 1.375 -4.344 1.00 10.00 C ATOM 508 O LEU A 32 6.866 1.810 -4.426 1.00 10.00 O ATOM 509 CB LEU A 32 4.992 0.208 -2.191 1.00 10.00 C ATOM 510 CG LEU A 32 3.913 0.040 -1.112 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.046 -1.361 -0.505 1.00 10.00 C ATOM 512 CD2 LEU A 32 4.033 1.034 0.044 1.00 10.00 C ATOM 0 H LEU A 32 2.998 1.389 -3.735 1.00 10.00 H new ATOM 0 HA LEU A 32 5.511 2.244 -2.423 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.911 -0.631 -2.882 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.966 0.131 -1.708 1.00 10.00 H new ATOM 0 HG LEU A 32 2.957 0.210 -1.607 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.286 -1.498 0.264 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.911 -2.110 -1.285 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.035 -1.473 -0.062 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.236 0.852 0.765 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.999 0.909 0.532 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.949 2.051 -0.340 1.00 10.00 H new ATOM 524 N THR A 33 5.095 0.754 -5.356 1.00 10.00 N ATOM 525 CA THR A 33 5.497 0.643 -6.766 1.00 10.00 C ATOM 526 C THR A 33 6.980 0.358 -7.075 1.00 10.00 C ATOM 527 O THR A 33 7.282 -0.672 -7.665 1.00 10.00 O ATOM 528 CB THR A 33 4.921 1.830 -7.548 1.00 10.00 C ATOM 529 OG1 THR A 33 3.528 1.867 -7.310 1.00 10.00 O ATOM 530 CG2 THR A 33 5.138 1.692 -9.059 1.00 10.00 C ATOM 0 H THR A 33 4.211 0.272 -5.192 1.00 10.00 H new ATOM 0 HA THR A 33 5.057 -0.291 -7.115 1.00 10.00 H new ATOM 0 HB THR A 33 5.427 2.736 -7.215 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.219 2.797 -7.321 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.713 2.557 -9.568 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.206 1.636 -9.270 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.650 0.785 -9.415 1.00 10.00 H new ATOM 538 N LYS A 34 7.922 1.228 -6.714 1.00 10.00 N ATOM 539 CA LYS A 34 9.334 0.861 -6.751 1.00 10.00 C ATOM 540 C LYS A 34 9.626 -0.208 -5.694 1.00 10.00 C ATOM 541 O LYS A 34 10.380 -1.148 -5.936 1.00 10.00 O ATOM 542 CB LYS A 34 10.209 2.094 -6.501 1.00 10.00 C ATOM 543 CG LYS A 34 10.096 3.104 -7.645 1.00 10.00 C ATOM 544 CD LYS A 34 11.113 4.229 -7.423 1.00 10.00 C ATOM 545 CE LYS A 34 11.078 5.229 -8.587 1.00 10.00 C ATOM 546 NZ LYS A 34 12.084 6.298 -8.421 1.00 10.00 N ATOM 0 H LYS A 34 7.736 2.179 -6.397 1.00 10.00 H new ATOM 0 HA LYS A 34 9.565 0.459 -7.737 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.912 2.568 -5.565 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.249 1.787 -6.387 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.281 2.613 -8.600 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.086 3.513 -7.687 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.895 4.744 -6.488 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.114 3.808 -7.329 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.258 4.703 -9.524 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.085 5.672 -8.656 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.030 6.954 -9.226 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 11.897 6.817 -7.539 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.034 5.877 -8.380 1.00 10.00 H new ATOM 560 N PHE A 35 9.003 -0.068 -4.519 1.00 10.00 N ATOM 561 CA PHE A 35 9.334 -0.863 -3.342 1.00 10.00 C ATOM 562 C PHE A 35 9.040 -2.329 -3.605 1.00 10.00 C ATOM 563 O PHE A 35 9.659 -3.208 -3.028 1.00 10.00 O ATOM 564 CB PHE A 35 8.546 -0.396 -2.114 1.00 10.00 C ATOM 565 CG PHE A 35 9.279 -0.672 -0.817 1.00 10.00 C ATOM 566 CD1 PHE A 35 9.096 -1.893 -0.138 1.00 10.00 C ATOM 567 CD2 PHE A 35 10.349 0.168 -0.457 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.002 -2.283 0.864 1.00 10.00 C ATOM 569 CE2 PHE A 35 11.238 -0.212 0.561 1.00 10.00 C ATOM 570 CZ PHE A 35 11.068 -1.440 1.218 1.00 10.00 C ATOM 0 H PHE A 35 8.252 0.604 -4.362 1.00 10.00 H new ATOM 0 HA PHE A 35 10.397 -0.731 -3.139 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.350 0.673 -2.197 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.578 -0.897 -2.095 1.00 10.00 H new ATOM 0 HD1 PHE A 35 8.260 -2.529 -0.387 1.00 10.00 H new ATOM 0 HD2 PHE A 35 10.487 1.110 -0.967 1.00 10.00 H new ATOM 0 HE1 PHE A 35 9.878 -3.233 1.363 1.00 10.00 H new ATOM 0 HE2 PHE A 35 12.053 0.441 0.838 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.756 -1.737 1.995 1.00 10.00 H new ATOM 580 N LEU A 36 8.079 -2.579 -4.488 1.00 10.00 N ATOM 581 CA LEU A 36 7.784 -3.868 -5.074 1.00 10.00 C ATOM 582 C LEU A 36 9.052 -4.659 -5.407 1.00 10.00 C ATOM 583 O LEU A 36 9.124 -5.852 -5.124 1.00 10.00 O ATOM 584 CB LEU A 36 7.003 -3.587 -6.356 1.00 10.00 C ATOM 585 CG LEU A 36 5.662 -2.882 -6.162 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.928 -2.965 -7.505 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.827 -3.483 -5.033 1.00 10.00 C ATOM 0 H LEU A 36 7.457 -1.846 -4.827 1.00 10.00 H new ATOM 0 HA LEU A 36 7.219 -4.474 -4.366 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.623 -2.978 -7.014 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.827 -4.532 -6.869 1.00 10.00 H new ATOM 0 HG LEU A 36 5.830 -1.848 -5.862 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.959 -2.474 -7.421 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.520 -2.470 -8.275 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.782 -4.011 -7.776 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.887 -2.938 -4.946 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.620 -4.531 -5.251 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.377 -3.410 -4.095 1.00 10.00 H new ATOM 599 N GLU A 37 10.033 -3.990 -6.018 1.00 10.00 N ATOM 600 CA GLU A 37 11.292 -4.596 -6.421 1.00 10.00 C ATOM 601 C GLU A 37 12.092 -4.966 -5.164 1.00 10.00 C ATOM 602 O GLU A 37 12.540 -6.099 -5.002 1.00 10.00 O ATOM 603 CB GLU A 37 12.026 -3.600 -7.339 1.00 10.00 C ATOM 604 CG GLU A 37 12.825 -4.279 -8.458 1.00 10.00 C ATOM 605 CD GLU A 37 14.073 -4.999 -7.962 1.00 10.00 C ATOM 606 OE1 GLU A 37 14.751 -4.415 -7.089 1.00 10.00 O ATOM 607 OE2 GLU A 37 14.342 -6.095 -8.496 1.00 10.00 O ATOM 0 H GLU A 37 9.968 -2.998 -6.247 1.00 10.00 H new ATOM 0 HA GLU A 37 11.144 -5.519 -6.982 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.297 -2.922 -7.783 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.702 -2.993 -6.737 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.182 -4.994 -8.970 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.116 -3.528 -9.193 1.00 10.00 H new ATOM 614 N GLU A 38 12.205 -4.005 -4.242 1.00 10.00 N ATOM 615 CA GLU A 38 12.918 -4.148 -2.983 1.00 10.00 C ATOM 616 C GLU A 38 12.330 -5.277 -2.122 1.00 10.00 C ATOM 617 O GLU A 38 13.072 -6.009 -1.470 1.00 10.00 O ATOM 618 CB GLU A 38 12.873 -2.811 -2.220 1.00 10.00 C ATOM 619 CG GLU A 38 13.389 -1.617 -3.042 1.00 10.00 C ATOM 620 CD GLU A 38 13.314 -0.316 -2.250 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.944 -0.268 -1.171 1.00 10.00 O ATOM 622 OE2 GLU A 38 12.625 0.611 -2.733 1.00 10.00 O ATOM 0 H GLU A 38 11.788 -3.082 -4.361 1.00 10.00 H new ATOM 0 HA GLU A 38 13.952 -4.414 -3.201 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.847 -2.613 -1.911 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.468 -2.900 -1.311 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.420 -1.801 -3.344 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.801 -1.522 -3.955 1.00 10.00 H new ATOM 629 N HIS A 39 10.997 -5.360 -2.064 1.00 10.00 N ATOM 630 CA HIS A 39 10.218 -6.071 -1.060 1.00 10.00 C ATOM 631 C HIS A 39 10.625 -7.544 -0.951 1.00 10.00 C ATOM 632 O HIS A 39 10.256 -8.328 -1.822 1.00 10.00 O ATOM 633 CB HIS A 39 8.712 -5.946 -1.387 1.00 10.00 C ATOM 634 CG HIS A 39 7.799 -6.333 -0.247 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.735 -7.216 -0.274 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.832 -5.770 0.999 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.171 -7.184 0.951 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.815 -6.328 1.772 1.00 10.00 N ATOM 0 H HIS A 39 10.405 -4.905 -2.758 1.00 10.00 H new ATOM 0 HA HIS A 39 10.420 -5.613 -0.092 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.498 -4.917 -1.676 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.485 -6.573 -2.249 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.435 -7.782 -1.067 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.531 -5.017 1.330 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.311 -7.770 1.239 1.00 10.00 H new ATOM 646 N PRO A 40 11.291 -7.970 0.136 1.00 10.00 N ATOM 647 CA PRO A 40 11.564 -9.380 0.390 1.00 10.00 C ATOM 648 C PRO A 40 10.289 -10.230 0.380 1.00 10.00 C ATOM 649 O PRO A 40 10.310 -11.378 -0.053 1.00 10.00 O ATOM 650 CB PRO A 40 12.279 -9.422 1.743 1.00 10.00 C ATOM 651 CG PRO A 40 12.983 -8.066 1.763 1.00 10.00 C ATOM 652 CD PRO A 40 11.903 -7.160 1.178 1.00 10.00 C ATOM 0 HA PRO A 40 12.182 -9.811 -0.397 1.00 10.00 H new ATOM 0 HB2 PRO A 40 11.580 -9.533 2.572 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.984 -10.251 1.808 1.00 10.00 H new ATOM 0 HG2 PRO A 40 13.269 -7.766 2.771 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.891 -8.065 1.160 1.00 10.00 H new ATOM 0 HD2 PRO A 40 11.175 -6.866 1.935 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.329 -6.242 0.772 1.00 10.00 H new ATOM 660 N GLY A 41 9.166 -9.656 0.829 1.00 10.00 N ATOM 661 CA GLY A 41 7.866 -10.307 0.756 1.00 10.00 C ATOM 662 C GLY A 41 7.409 -10.590 -0.678 1.00 10.00 C ATOM 663 O GLY A 41 6.534 -11.427 -0.873 1.00 10.00 O ATOM 0 H GLY A 41 9.140 -8.728 1.252 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.906 -11.246 1.309 1.00 10.00 H new ATOM 0 HA3 GLY A 41 7.124 -9.678 1.249 1.00 10.00 H new ATOM 667 N GLY A 42 7.962 -9.891 -1.675 1.00 10.00 N ATOM 668 CA GLY A 42 7.614 -10.035 -3.081 1.00 10.00 C ATOM 669 C GLY A 42 6.528 -9.044 -3.494 1.00 10.00 C ATOM 670 O GLY A 42 5.819 -8.500 -2.645 1.00 10.00 O ATOM 0 H GLY A 42 8.685 -9.190 -1.514 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.502 -9.880 -3.694 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.270 -11.052 -3.269 1.00 10.00 H new ATOM 674 N GLU A 43 6.419 -8.802 -4.806 1.00 10.00 N ATOM 675 CA GLU A 43 5.436 -7.903 -5.395 1.00 10.00 C ATOM 676 C GLU A 43 4.072 -8.591 -5.462 1.00 10.00 C ATOM 677 O GLU A 43 3.104 -8.045 -4.938 1.00 10.00 O ATOM 678 CB GLU A 43 5.959 -7.375 -6.740 1.00 10.00 C ATOM 679 CG GLU A 43 4.926 -6.583 -7.553 1.00 10.00 C ATOM 680 CD GLU A 43 3.990 -7.446 -8.387 1.00 10.00 C ATOM 681 OE1 GLU A 43 4.346 -8.610 -8.653 1.00 10.00 O ATOM 682 OE2 GLU A 43 2.904 -6.947 -8.753 1.00 10.00 O ATOM 0 H GLU A 43 7.028 -9.239 -5.498 1.00 10.00 H new ATOM 0 HA GLU A 43 5.286 -7.023 -4.769 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.824 -6.738 -6.555 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.306 -8.218 -7.338 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.331 -5.977 -6.870 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.452 -5.894 -8.214 1.00 10.00 H new ATOM 689 N GLU A 44 3.997 -9.790 -6.051 1.00 10.00 N ATOM 690 CA GLU A 44 2.783 -10.596 -6.170 1.00 10.00 C ATOM 691 C GLU A 44 1.886 -10.467 -4.934 1.00 10.00 C ATOM 692 O GLU A 44 0.714 -10.105 -5.030 1.00 10.00 O ATOM 693 CB GLU A 44 3.170 -12.072 -6.377 1.00 10.00 C ATOM 694 CG GLU A 44 3.797 -12.355 -7.751 1.00 10.00 C ATOM 695 CD GLU A 44 2.789 -12.178 -8.875 1.00 10.00 C ATOM 696 OE1 GLU A 44 1.657 -12.692 -8.753 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.083 -11.433 -9.831 1.00 10.00 O ATOM 0 H GLU A 44 4.810 -10.239 -6.472 1.00 10.00 H new ATOM 0 HA GLU A 44 2.218 -10.229 -7.027 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.873 -12.368 -5.598 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.282 -12.692 -6.257 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.642 -11.685 -7.911 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.189 -13.372 -7.770 1.00 10.00 H new ATOM 704 N VAL A 45 2.471 -10.747 -3.767 1.00 10.00 N ATOM 705 CA VAL A 45 1.756 -10.812 -2.499 1.00 10.00 C ATOM 706 C VAL A 45 1.233 -9.428 -2.093 1.00 10.00 C ATOM 707 O VAL A 45 0.210 -9.306 -1.426 1.00 10.00 O ATOM 708 CB VAL A 45 2.643 -11.430 -1.385 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.778 -12.307 -1.931 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.305 -10.405 -0.448 1.00 10.00 C ATOM 0 H VAL A 45 3.469 -10.937 -3.680 1.00 10.00 H new ATOM 0 HA VAL A 45 0.895 -11.467 -2.633 1.00 10.00 H new ATOM 0 HB VAL A 45 1.921 -12.025 -0.825 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.360 -12.708 -1.101 1.00 10.00 H new ATOM 0 HG12 VAL A 45 3.356 -13.129 -2.509 1.00 10.00 H new ATOM 0 HG13 VAL A 45 4.425 -11.708 -2.571 1.00 10.00 H new ATOM 0 HG21 VAL A 45 3.904 -10.928 0.297 1.00 10.00 H new ATOM 0 HG22 VAL A 45 3.946 -9.742 -1.029 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.534 -9.819 0.052 1.00 10.00 H new ATOM 720 N LEU A 46 1.951 -8.364 -2.469 1.00 10.00 N ATOM 721 CA LEU A 46 1.454 -7.017 -2.280 1.00 10.00 C ATOM 722 C LEU A 46 0.303 -6.796 -3.252 1.00 10.00 C ATOM 723 O LEU A 46 -0.750 -6.332 -2.836 1.00 10.00 O ATOM 724 CB LEU A 46 2.553 -5.965 -2.487 1.00 10.00 C ATOM 725 CG LEU A 46 3.664 -6.013 -1.428 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.804 -5.101 -1.892 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.167 -5.529 -0.062 1.00 10.00 C ATOM 0 H LEU A 46 2.872 -8.419 -2.903 1.00 10.00 H new ATOM 0 HA LEU A 46 1.109 -6.903 -1.252 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.997 -6.106 -3.472 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.100 -4.974 -2.480 1.00 10.00 H new ATOM 0 HG LEU A 46 3.997 -7.045 -1.317 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.607 -5.118 -1.155 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.184 -5.453 -2.851 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.433 -4.082 -2.001 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.982 -5.578 0.660 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.818 -4.500 -0.146 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.347 -6.164 0.273 1.00 10.00 H new ATOM 739 N ARG A 47 0.479 -7.136 -4.532 1.00 10.00 N ATOM 740 CA ARG A 47 -0.503 -6.859 -5.575 1.00 10.00 C ATOM 741 C ARG A 47 -1.854 -7.492 -5.220 1.00 10.00 C ATOM 742 O ARG A 47 -2.892 -6.843 -5.289 1.00 10.00 O ATOM 743 CB ARG A 47 0.013 -7.331 -6.938 1.00 10.00 C ATOM 744 CG ARG A 47 -0.822 -6.695 -8.059 1.00 10.00 C ATOM 745 CD ARG A 47 -0.379 -7.146 -9.454 1.00 10.00 C ATOM 746 NE ARG A 47 -0.546 -8.598 -9.622 1.00 10.00 N ATOM 747 CZ ARG A 47 0.426 -9.528 -9.653 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.714 -9.193 -9.575 1.00 10.00 N ATOM 749 NH2 ARG A 47 0.078 -10.813 -9.756 1.00 10.00 N ATOM 0 H ARG A 47 1.313 -7.614 -4.872 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.655 -5.782 -5.642 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.062 -7.059 -7.054 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.043 -8.418 -7.002 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.872 -6.951 -7.915 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.747 -5.610 -7.991 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.961 -6.620 -10.211 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.665 -6.877 -9.611 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.503 -8.937 -9.726 1.00 10.00 H new ATOM 0 HH11 ARG A 47 1.982 -8.212 -9.490 1.00 10.00 H new ATOM 0 HH12 ARG A 47 2.432 -9.917 -9.601 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -0.907 -11.072 -9.809 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.797 -11.536 -9.781 1.00 10.00 H new ATOM 763 N GLU A 48 -1.800 -8.752 -4.790 1.00 10.00 N ATOM 764 CA GLU A 48 -2.875 -9.533 -4.186 1.00 10.00 C ATOM 765 C GLU A 48 -3.716 -8.752 -3.156 1.00 10.00 C ATOM 766 O GLU A 48 -4.884 -9.071 -2.940 1.00 10.00 O ATOM 767 CB GLU A 48 -2.184 -10.741 -3.542 1.00 10.00 C ATOM 768 CG GLU A 48 -3.111 -11.714 -2.804 1.00 10.00 C ATOM 769 CD GLU A 48 -2.349 -12.943 -2.321 1.00 10.00 C ATOM 770 OE1 GLU A 48 -1.260 -12.744 -1.743 1.00 10.00 O ATOM 771 OE2 GLU A 48 -2.871 -14.056 -2.541 1.00 10.00 O ATOM 0 H GLU A 48 -0.938 -9.293 -4.861 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.600 -9.820 -4.948 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.653 -11.291 -4.319 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.434 -10.377 -2.840 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.569 -11.209 -1.953 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.921 -12.022 -3.466 1.00 10.00 H new ATOM 778 N GLN A 49 -3.125 -7.780 -2.458 1.00 10.00 N ATOM 779 CA GLN A 49 -3.787 -6.963 -1.439 1.00 10.00 C ATOM 780 C GLN A 49 -3.975 -5.511 -1.884 1.00 10.00 C ATOM 781 O GLN A 49 -4.853 -4.805 -1.390 1.00 10.00 O ATOM 782 CB GLN A 49 -2.932 -7.022 -0.172 1.00 10.00 C ATOM 783 CG GLN A 49 -2.799 -8.452 0.374 1.00 10.00 C ATOM 784 CD GLN A 49 -4.125 -9.040 0.854 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.385 -9.067 2.054 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.972 -9.533 -0.047 1.00 10.00 N ATOM 0 H GLN A 49 -2.144 -7.533 -2.590 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.787 -7.360 -1.261 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.940 -6.623 -0.386 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.374 -6.383 0.592 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.385 -9.094 -0.404 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.088 -8.454 1.200 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.737 -9.501 -1.039 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.856 -9.943 0.255 1.00 10.00 H new ATOM 795 N ALA A 50 -3.111 -5.060 -2.784 1.00 10.00 N ATOM 796 CA ALA A 50 -3.054 -3.710 -3.295 1.00 10.00 C ATOM 797 C ALA A 50 -4.359 -3.304 -3.961 1.00 10.00 C ATOM 798 O ALA A 50 -5.120 -4.131 -4.464 1.00 10.00 O ATOM 799 CB ALA A 50 -1.928 -3.614 -4.311 1.00 10.00 C ATOM 0 H ALA A 50 -2.397 -5.662 -3.194 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.879 -3.037 -2.456 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.877 -2.598 -4.703 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.982 -3.866 -3.831 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.116 -4.309 -5.129 1.00 10.00 H new ATOM 805 N GLY A 51 -4.601 -1.997 -3.975 1.00 10.00 N ATOM 806 CA GLY A 51 -5.899 -1.457 -4.300 1.00 10.00 C ATOM 807 C GLY A 51 -6.930 -2.082 -3.385 1.00 10.00 C ATOM 808 O GLY A 51 -8.001 -2.512 -3.799 1.00 10.00 O ATOM 0 H GLY A 51 -3.898 -1.290 -3.760 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.897 -0.373 -4.182 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.144 -1.664 -5.342 1.00 10.00 H new ATOM 812 N GLY A 52 -6.576 -2.082 -2.104 1.00 10.00 N ATOM 813 CA GLY A 52 -7.423 -2.499 -1.036 1.00 10.00 C ATOM 814 C GLY A 52 -6.653 -2.194 0.237 1.00 10.00 C ATOM 815 O GLY A 52 -5.470 -1.831 0.214 1.00 10.00 O ATOM 0 H GLY A 52 -5.655 -1.777 -1.789 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.373 -1.965 -1.057 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.653 -3.562 -1.110 1.00 10.00 H new ATOM 819 N ASP A 53 -7.373 -2.286 1.341 1.00 10.00 N ATOM 820 CA ASP A 53 -6.811 -2.122 2.668 1.00 10.00 C ATOM 821 C ASP A 53 -6.045 -3.378 3.080 1.00 10.00 C ATOM 822 O ASP A 53 -6.552 -4.487 2.915 1.00 10.00 O ATOM 823 CB ASP A 53 -7.889 -1.737 3.687 1.00 10.00 C ATOM 824 CG ASP A 53 -7.242 -1.328 5.003 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.686 -2.226 5.674 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.266 -0.120 5.324 1.00 10.00 O ATOM 0 H ASP A 53 -8.375 -2.479 1.340 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.100 -1.297 2.644 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.491 -0.916 3.298 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.563 -2.578 3.850 1.00 10.00 H new ATOM 831 N ALA A 54 -4.816 -3.207 3.578 1.00 10.00 N ATOM 832 CA ALA A 54 -3.973 -4.300 4.051 1.00 10.00 C ATOM 833 C ALA A 54 -3.512 -4.077 5.495 1.00 10.00 C ATOM 834 O ALA A 54 -2.447 -4.566 5.878 1.00 10.00 O ATOM 835 CB ALA A 54 -2.783 -4.442 3.098 1.00 10.00 C ATOM 0 H ALA A 54 -4.376 -2.291 3.663 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.550 -5.225 4.056 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.141 -5.255 3.436 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.145 -4.660 2.093 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.214 -3.512 3.085 1.00 10.00 H new ATOM 841 N THR A 55 -4.287 -3.345 6.304 1.00 10.00 N ATOM 842 CA THR A 55 -3.858 -2.932 7.636 1.00 10.00 C ATOM 843 C THR A 55 -3.496 -4.137 8.509 1.00 10.00 C ATOM 844 O THR A 55 -2.387 -4.221 9.042 1.00 10.00 O ATOM 845 CB THR A 55 -4.916 -2.044 8.319 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.296 -0.957 7.508 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.311 -1.402 9.563 1.00 10.00 C ATOM 0 H THR A 55 -5.222 -3.026 6.052 1.00 10.00 H new ATOM 0 HA THR A 55 -2.955 -2.333 7.514 1.00 10.00 H new ATOM 0 HB THR A 55 -5.768 -2.690 8.532 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.561 -1.286 6.624 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.058 -0.773 10.048 1.00 10.00 H new ATOM 0 HG22 THR A 55 -3.988 -2.181 10.254 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.454 -0.792 9.278 1.00 10.00 H new ATOM 855 N GLU A 56 -4.439 -5.070 8.663 1.00 10.00 N ATOM 856 CA GLU A 56 -4.277 -6.223 9.512 1.00 10.00 C ATOM 857 C GLU A 56 -3.156 -7.072 8.941 1.00 10.00 C ATOM 858 O GLU A 56 -2.226 -7.373 9.663 1.00 10.00 O ATOM 859 CB GLU A 56 -5.599 -6.994 9.587 1.00 10.00 C ATOM 860 CG GLU A 56 -6.719 -6.119 10.171 1.00 10.00 C ATOM 861 CD GLU A 56 -8.017 -6.903 10.316 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.376 -7.584 9.333 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.625 -6.799 11.403 1.00 10.00 O ATOM 0 H GLU A 56 -5.342 -5.033 8.190 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.014 -5.932 10.529 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.882 -7.335 8.591 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.470 -7.884 10.203 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.413 -5.735 11.144 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -6.883 -5.256 9.525 1.00 10.00 H new ATOM 870 N ASN A 57 -3.214 -7.409 7.650 1.00 10.00 N ATOM 871 CA ASN A 57 -2.214 -8.247 6.985 1.00 10.00 C ATOM 872 C ASN A 57 -0.790 -7.722 7.219 1.00 10.00 C ATOM 873 O ASN A 57 0.141 -8.469 7.534 1.00 10.00 O ATOM 874 CB ASN A 57 -2.538 -8.320 5.486 1.00 10.00 C ATOM 875 CG ASN A 57 -1.756 -9.425 4.779 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.717 -9.867 5.248 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.250 -9.902 3.643 1.00 10.00 N ATOM 0 H ASN A 57 -3.965 -7.104 7.031 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.253 -9.249 7.413 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.606 -8.493 5.355 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.311 -7.361 5.020 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.762 -10.648 3.148 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.118 -9.522 3.265 1.00 10.00 H new ATOM 884 N PHE A 58 -0.619 -6.408 7.075 1.00 10.00 N ATOM 885 CA PHE A 58 0.644 -5.747 7.343 1.00 10.00 C ATOM 886 C PHE A 58 1.142 -6.051 8.765 1.00 10.00 C ATOM 887 O PHE A 58 2.239 -6.580 8.934 1.00 10.00 O ATOM 888 CB PHE A 58 0.467 -4.250 7.095 1.00 10.00 C ATOM 889 CG PHE A 58 1.683 -3.432 7.445 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.831 -3.490 6.638 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.692 -2.683 8.631 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.962 -2.725 6.971 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.832 -1.952 8.983 1.00 10.00 C ATOM 894 CZ PHE A 58 3.947 -1.931 8.132 1.00 10.00 C ATOM 0 H PHE A 58 -1.359 -5.776 6.768 1.00 10.00 H new ATOM 0 HA PHE A 58 1.414 -6.126 6.671 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.222 -4.091 6.045 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.382 -3.892 7.678 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.845 -4.122 5.762 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.822 -2.671 9.270 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.838 -2.747 6.339 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.854 -1.402 9.912 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.795 -1.305 8.368 1.00 10.00 H new ATOM 904 N GLU A 59 0.340 -5.740 9.787 1.00 10.00 N ATOM 905 CA GLU A 59 0.710 -5.968 11.186 1.00 10.00 C ATOM 906 C GLU A 59 0.818 -7.450 11.553 1.00 10.00 C ATOM 907 O GLU A 59 1.547 -7.829 12.466 1.00 10.00 O ATOM 908 CB GLU A 59 -0.340 -5.316 12.080 1.00 10.00 C ATOM 909 CG GLU A 59 -0.203 -3.793 12.078 1.00 10.00 C ATOM 910 CD GLU A 59 1.146 -3.306 12.608 1.00 10.00 C ATOM 911 OE1 GLU A 59 1.678 -3.915 13.557 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.620 -2.284 12.059 1.00 10.00 O ATOM 0 H GLU A 59 -0.583 -5.323 9.668 1.00 10.00 H new ATOM 0 HA GLU A 59 1.698 -5.531 11.333 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.336 -5.594 11.737 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -0.237 -5.691 13.098 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -0.341 -3.424 11.062 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.000 -3.363 12.684 1.00 10.00 H new ATOM 919 N ASP A 60 0.065 -8.277 10.845 1.00 10.00 N ATOM 920 CA ASP A 60 0.049 -9.725 10.963 1.00 10.00 C ATOM 921 C ASP A 60 1.446 -10.253 10.625 1.00 10.00 C ATOM 922 O ASP A 60 2.035 -11.025 11.377 1.00 10.00 O ATOM 923 CB ASP A 60 -1.033 -10.295 10.035 1.00 10.00 C ATOM 924 CG ASP A 60 -1.206 -11.787 10.265 1.00 10.00 C ATOM 925 OD1 ASP A 60 -1.888 -12.135 11.253 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.658 -12.551 9.441 1.00 10.00 O ATOM 0 H ASP A 60 -0.585 -7.938 10.136 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.196 -10.039 11.978 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -1.978 -9.783 10.213 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -0.761 -10.111 8.996 1.00 10.00 H new ATOM 931 N HIS A 61 2.013 -9.744 9.526 1.00 10.00 N ATOM 932 CA HIS A 61 3.431 -9.910 9.219 1.00 10.00 C ATOM 933 C HIS A 61 4.300 -9.183 10.248 1.00 10.00 C ATOM 934 O HIS A 61 5.364 -9.666 10.628 1.00 10.00 O ATOM 935 CB HIS A 61 3.712 -9.417 7.796 1.00 10.00 C ATOM 936 CG HIS A 61 3.157 -10.361 6.768 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.838 -10.482 6.389 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.847 -11.396 6.204 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.754 -11.555 5.583 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.956 -12.135 5.424 1.00 10.00 N ATOM 0 H HIS A 61 1.500 -9.207 8.827 1.00 10.00 H new ATOM 0 HA HIS A 61 3.687 -10.968 9.273 1.00 10.00 H new ATOM 0 HB2 HIS A 61 3.273 -8.429 7.659 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.787 -9.311 7.652 1.00 10.00 H new ATOM 0 HD1 HIS A 61 1.069 -9.872 6.668 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.898 -11.606 6.338 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.841 -11.905 5.124 1.00 10.00 H new ATOM 948 N GLY A 62 3.858 -8.005 10.686 1.00 10.00 N ATOM 949 CA GLY A 62 4.521 -7.202 11.694 1.00 10.00 C ATOM 950 C GLY A 62 5.332 -6.146 10.972 1.00 10.00 C ATOM 951 O GLY A 62 4.757 -5.311 10.280 1.00 10.00 O ATOM 0 H GLY A 62 3.002 -7.576 10.334 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.790 -6.738 12.357 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.166 -7.823 12.316 1.00 10.00 H new ATOM 955 N HIS A 63 6.661 -6.218 11.086 1.00 10.00 N ATOM 956 CA HIS A 63 7.618 -5.341 10.417 1.00 10.00 C ATOM 957 C HIS A 63 7.183 -3.874 10.403 1.00 10.00 C ATOM 958 O HIS A 63 7.300 -3.183 9.395 1.00 10.00 O ATOM 959 CB HIS A 63 7.970 -5.901 9.032 1.00 10.00 C ATOM 960 CG HIS A 63 6.998 -5.724 7.877 1.00 10.00 C ATOM 961 ND1 HIS A 63 5.652 -6.027 7.806 1.00 10.00 N ATOM 962 CD2 HIS A 63 7.430 -5.583 6.594 1.00 10.00 C ATOM 963 CE1 HIS A 63 5.314 -6.106 6.501 1.00 10.00 C ATOM 964 NE2 HIS A 63 6.378 -5.861 5.711 1.00 10.00 N ATOM 0 H HIS A 63 7.115 -6.919 11.672 1.00 10.00 H new ATOM 0 HA HIS A 63 8.537 -5.332 11.003 1.00 10.00 H new ATOM 0 HB2 HIS A 63 8.917 -5.453 8.731 1.00 10.00 H new ATOM 0 HB3 HIS A 63 8.145 -6.970 9.149 1.00 10.00 H new ATOM 0 HD1 HIS A 63 5.025 -6.166 8.598 1.00 10.00 H new ATOM 0 HD2 HIS A 63 8.430 -5.300 6.301 1.00 10.00 H new ATOM 0 HE1 HIS A 63 4.323 -6.335 6.139 1.00 10.00 H new ATOM 972 N SER A 64 6.644 -3.410 11.529 1.00 10.00 N ATOM 973 CA SER A 64 5.686 -2.328 11.517 1.00 10.00 C ATOM 974 C SER A 64 6.358 -0.970 11.450 1.00 10.00 C ATOM 975 O SER A 64 6.467 -0.405 10.368 1.00 10.00 O ATOM 976 CB SER A 64 4.765 -2.500 12.720 1.00 10.00 C ATOM 977 OG SER A 64 5.535 -2.710 13.890 1.00 10.00 O ATOM 0 H SER A 64 6.860 -3.773 12.457 1.00 10.00 H new ATOM 0 HA SER A 64 5.082 -2.369 10.611 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.140 -1.615 12.840 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.095 -3.345 12.558 1.00 10.00 H new ATOM 0 HG SER A 64 4.938 -2.818 14.660 1.00 10.00 H new ATOM 983 N THR A 65 6.744 -0.433 12.608 1.00 10.00 N ATOM 984 CA THR A 65 7.204 0.938 12.822 1.00 10.00 C ATOM 985 C THR A 65 8.051 1.484 11.678 1.00 10.00 C ATOM 986 O THR A 65 7.827 2.588 11.195 1.00 10.00 O ATOM 987 CB THR A 65 8.000 0.976 14.139 1.00 10.00 C ATOM 988 OG1 THR A 65 8.748 -0.220 14.313 1.00 10.00 O ATOM 989 CG2 THR A 65 7.041 1.083 15.326 1.00 10.00 C ATOM 0 H THR A 65 6.744 -0.976 13.472 1.00 10.00 H new ATOM 0 HA THR A 65 6.325 1.581 12.870 1.00 10.00 H new ATOM 0 HB THR A 65 8.668 1.836 14.093 1.00 10.00 H new ATOM 0 HG1 THR A 65 9.602 -0.144 13.839 1.00 10.00 H new ATOM 0 HG21 THR A 65 7.612 1.109 16.254 1.00 10.00 H new ATOM 0 HG22 THR A 65 6.452 1.996 15.237 1.00 10.00 H new ATOM 0 HG23 THR A 65 6.375 0.220 15.334 1.00 10.00 H new ATOM 997 N ASP A 66 9.026 0.701 11.262 1.00 10.00 N ATOM 998 CA ASP A 66 10.039 1.062 10.291 1.00 10.00 C ATOM 999 C ASP A 66 9.423 1.196 8.892 1.00 10.00 C ATOM 1000 O ASP A 66 9.608 2.203 8.204 1.00 10.00 O ATOM 1001 CB ASP A 66 11.145 -0.003 10.360 1.00 10.00 C ATOM 1002 CG ASP A 66 11.661 -0.200 11.787 1.00 10.00 C ATOM 1003 OD1 ASP A 66 10.819 -0.553 12.651 1.00 10.00 O ATOM 1004 OD2 ASP A 66 12.871 0.026 11.992 1.00 10.00 O ATOM 0 H ASP A 66 9.139 -0.251 11.609 1.00 10.00 H new ATOM 0 HA ASP A 66 10.473 2.036 10.515 1.00 10.00 H new ATOM 0 HB2 ASP A 66 10.761 -0.950 9.979 1.00 10.00 H new ATOM 0 HB3 ASP A 66 11.972 0.290 9.713 1.00 10.00 H new ATOM 1009 N ALA A 67 8.648 0.189 8.472 1.00 10.00 N ATOM 1010 CA ALA A 67 7.981 0.201 7.178 1.00 10.00 C ATOM 1011 C ALA A 67 6.889 1.285 7.194 1.00 10.00 C ATOM 1012 O ALA A 67 6.650 1.955 6.194 1.00 10.00 O ATOM 1013 CB ALA A 67 7.402 -1.182 6.888 1.00 10.00 C ATOM 0 H ALA A 67 8.470 -0.651 9.022 1.00 10.00 H new ATOM 0 HA ALA A 67 8.688 0.436 6.383 1.00 10.00 H new ATOM 0 HB1 ALA A 67 6.903 -1.172 5.919 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.206 -1.918 6.874 1.00 10.00 H new ATOM 0 HB3 ALA A 67 6.683 -1.445 7.664 1.00 10.00 H new ATOM 1019 N ARG A 68 6.248 1.462 8.355 1.00 10.00 N ATOM 1020 CA ARG A 68 5.309 2.528 8.686 1.00 10.00 C ATOM 1021 C ARG A 68 5.942 3.892 8.420 1.00 10.00 C ATOM 1022 O ARG A 68 5.409 4.679 7.648 1.00 10.00 O ATOM 1023 CB ARG A 68 4.856 2.378 10.150 1.00 10.00 C ATOM 1024 CG ARG A 68 3.566 1.565 10.233 1.00 10.00 C ATOM 1025 CD ARG A 68 3.223 1.237 11.692 1.00 10.00 C ATOM 1026 NE ARG A 68 2.097 0.298 11.771 1.00 10.00 N ATOM 1027 CZ ARG A 68 0.814 0.581 11.526 1.00 10.00 C ATOM 1028 NH1 ARG A 68 0.399 1.833 11.338 1.00 10.00 N ATOM 1029 NH2 ARG A 68 -0.065 -0.412 11.464 1.00 10.00 N ATOM 0 H ARG A 68 6.384 0.820 9.136 1.00 10.00 H new ATOM 0 HA ARG A 68 4.426 2.453 8.051 1.00 10.00 H new ATOM 0 HB2 ARG A 68 5.638 1.889 10.730 1.00 10.00 H new ATOM 0 HB3 ARG A 68 4.701 3.363 10.591 1.00 10.00 H new ATOM 0 HG2 ARG A 68 2.748 2.125 9.779 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.675 0.642 9.664 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.094 0.807 12.186 1.00 10.00 H new ATOM 0 HD3 ARG A 68 2.974 2.154 12.226 1.00 10.00 H new ATOM 0 HE ARG A 68 2.315 -0.662 12.038 1.00 10.00 H new ATOM 0 HH11 ARG A 68 1.066 2.603 11.379 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -0.586 2.021 11.153 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.242 -1.375 11.603 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -1.048 -0.212 11.278 1.00 10.00 H new ATOM 1043 N GLU A 69 7.084 4.178 9.048 1.00 10.00 N ATOM 1044 CA GLU A 69 7.872 5.379 8.801 1.00 10.00 C ATOM 1045 C GLU A 69 8.046 5.566 7.290 1.00 10.00 C ATOM 1046 O GLU A 69 7.666 6.601 6.733 1.00 10.00 O ATOM 1047 CB GLU A 69 9.213 5.281 9.555 1.00 10.00 C ATOM 1048 CG GLU A 69 9.777 6.655 9.947 1.00 10.00 C ATOM 1049 CD GLU A 69 8.888 7.374 10.951 1.00 10.00 C ATOM 1050 OE1 GLU A 69 8.377 6.725 11.892 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.589 8.570 10.738 1.00 10.00 O ATOM 0 H GLU A 69 7.492 3.567 9.756 1.00 10.00 H new ATOM 0 HA GLU A 69 7.360 6.264 9.179 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.076 4.680 10.454 1.00 10.00 H new ATOM 0 HB3 GLU A 69 9.939 4.760 8.930 1.00 10.00 H new ATOM 0 HG2 GLU A 69 10.774 6.530 10.370 1.00 10.00 H new ATOM 0 HG3 GLU A 69 9.885 7.270 9.054 1.00 10.00 H new ATOM 1058 N LEU A 70 8.534 4.515 6.619 1.00 10.00 N ATOM 1059 CA LEU A 70 8.635 4.505 5.165 1.00 10.00 C ATOM 1060 C LEU A 70 7.325 4.962 4.515 1.00 10.00 C ATOM 1061 O LEU A 70 7.321 5.784 3.602 1.00 10.00 O ATOM 1062 CB LEU A 70 9.024 3.108 4.633 1.00 10.00 C ATOM 1063 CG LEU A 70 10.308 3.077 3.785 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.525 4.323 2.915 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.520 2.870 4.691 1.00 10.00 C ATOM 0 H LEU A 70 8.865 3.661 7.067 1.00 10.00 H new ATOM 0 HA LEU A 70 9.424 5.208 4.897 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.148 2.433 5.480 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.200 2.720 4.034 1.00 10.00 H new ATOM 0 HG LEU A 70 10.187 2.243 3.093 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.452 4.216 2.352 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.690 4.433 2.223 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.587 5.205 3.552 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.427 2.849 4.086 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.582 3.688 5.409 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.418 1.925 5.225 1.00 10.00 H new ATOM 1077 N SER A 71 6.193 4.438 4.979 1.00 10.00 N ATOM 1078 CA SER A 71 4.928 4.682 4.328 1.00 10.00 C ATOM 1079 C SER A 71 4.292 6.011 4.712 1.00 10.00 C ATOM 1080 O SER A 71 3.451 6.492 3.960 1.00 10.00 O ATOM 1081 CB SER A 71 4.016 3.474 4.460 1.00 10.00 C ATOM 1082 OG SER A 71 3.727 3.185 5.807 1.00 10.00 O ATOM 0 H SER A 71 6.136 3.842 5.805 1.00 10.00 H new ATOM 0 HA SER A 71 5.119 4.805 3.262 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.087 3.658 3.920 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.489 2.609 3.995 1.00 10.00 H new ATOM 0 HG SER A 71 2.768 3.305 5.969 1.00 10.00 H new ATOM 1088 N LYS A 72 4.746 6.669 5.785 1.00 10.00 N ATOM 1089 CA LYS A 72 4.484 8.100 5.951 1.00 10.00 C ATOM 1090 C LYS A 72 5.086 8.820 4.750 1.00 10.00 C ATOM 1091 O LYS A 72 4.426 9.591 4.061 1.00 10.00 O ATOM 1092 CB LYS A 72 5.118 8.668 7.227 1.00 10.00 C ATOM 1093 CG LYS A 72 4.760 7.893 8.491 1.00 10.00 C ATOM 1094 CD LYS A 72 5.408 8.600 9.690 1.00 10.00 C ATOM 1095 CE LYS A 72 5.369 7.747 10.964 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.332 8.245 11.967 1.00 10.00 N ATOM 0 H LYS A 72 5.286 6.242 6.537 1.00 10.00 H new ATOM 0 HA LYS A 72 3.407 8.247 6.027 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.202 8.674 7.111 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.804 9.705 7.347 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.678 7.849 8.616 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.115 6.865 8.419 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.443 8.842 9.450 1.00 10.00 H new ATOM 0 HD3 LYS A 72 4.895 9.544 9.872 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.363 7.760 11.383 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.599 6.710 10.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 6.842 7.442 12.387 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.012 8.885 11.508 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 5.822 8.760 12.713 1.00 10.00 H new ATOM 1110 N THR A 73 6.357 8.515 4.497 1.00 10.00 N ATOM 1111 CA THR A 73 7.092 9.004 3.339 1.00 10.00 C ATOM 1112 C THR A 73 6.361 8.640 2.034 1.00 10.00 C ATOM 1113 O THR A 73 6.403 9.418 1.085 1.00 10.00 O ATOM 1114 CB THR A 73 8.570 8.557 3.434 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.323 9.576 4.062 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.237 8.195 2.106 1.00 10.00 C ATOM 0 H THR A 73 6.912 7.911 5.103 1.00 10.00 H new ATOM 0 HA THR A 73 7.123 10.094 3.328 1.00 10.00 H new ATOM 0 HB THR A 73 8.554 7.634 4.014 1.00 10.00 H new ATOM 0 HG1 THR A 73 10.260 9.298 4.127 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.269 7.896 2.287 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.697 7.371 1.640 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.221 9.060 1.443 1.00 10.00 H new ATOM 1124 N PHE A 74 5.649 7.507 1.990 1.00 10.00 N ATOM 1125 CA PHE A 74 4.840 7.128 0.834 1.00 10.00 C ATOM 1126 C PHE A 74 3.396 7.648 0.880 1.00 10.00 C ATOM 1127 O PHE A 74 2.590 7.199 0.063 1.00 10.00 O ATOM 1128 CB PHE A 74 4.770 5.606 0.667 1.00 10.00 C ATOM 1129 CG PHE A 74 6.055 4.801 0.719 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.257 5.286 0.169 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.991 3.474 1.178 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.409 4.478 0.178 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.134 2.665 1.169 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.354 3.180 0.720 1.00 10.00 C ATOM 0 H PHE A 74 5.620 6.832 2.754 1.00 10.00 H new ATOM 0 HA PHE A 74 5.351 7.595 -0.008 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.108 5.220 1.442 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.292 5.402 -0.291 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.295 6.277 -0.259 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.055 3.076 1.540 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.335 4.854 -0.231 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.073 1.642 1.509 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.252 2.584 0.789 1.00 10.00 H new ATOM 1144 N ILE A 75 3.015 8.533 1.810 1.00 10.00 N ATOM 1145 CA ILE A 75 1.638 9.033 1.807 1.00 10.00 C ATOM 1146 C ILE A 75 1.363 9.770 0.496 1.00 10.00 C ATOM 1147 O ILE A 75 2.095 10.690 0.137 1.00 10.00 O ATOM 1148 CB ILE A 75 1.339 9.934 3.028 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.025 9.026 4.217 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.139 10.874 2.800 1.00 10.00 C ATOM 1151 CD1 ILE A 75 1.044 9.740 5.573 1.00 10.00 C ATOM 0 H ILE A 75 3.615 8.905 2.546 1.00 10.00 H new ATOM 0 HA ILE A 75 0.967 8.177 1.885 1.00 10.00 H new ATOM 0 HB ILE A 75 2.213 10.561 3.204 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.043 8.578 4.068 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.748 8.210 4.238 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.022 11.481 3.691 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.343 11.525 1.950 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.754 10.282 2.598 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.812 9.026 6.363 1.00 10.00 H new ATOM 0 HD12 ILE A 75 2.033 10.165 5.747 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.301 10.538 5.575 1.00 10.00 H new ATOM 1163 N ILE A 76 0.284 9.385 -0.191 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.140 10.011 -1.442 1.00 10.00 C ATOM 1165 C ILE A 76 -1.590 10.513 -1.383 1.00 10.00 C ATOM 1166 O ILE A 76 -2.038 11.185 -2.312 1.00 10.00 O ATOM 1167 CB ILE A 76 0.054 9.016 -2.599 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.520 7.638 -2.232 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.542 8.899 -2.962 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -0.917 6.826 -3.463 1.00 10.00 C ATOM 0 H ILE A 76 -0.324 8.623 0.110 1.00 10.00 H new ATOM 0 HA ILE A 76 0.481 10.891 -1.609 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.486 9.391 -3.468 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.219 7.081 -1.656 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.391 7.770 -1.590 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.662 8.191 -3.782 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.920 9.875 -3.267 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.101 8.548 -2.095 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.316 5.862 -3.149 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.677 7.368 -4.027 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.041 6.669 -4.093 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.341 10.169 -0.332 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.792 10.297 -0.327 1.00 10.00 C ATOM 1184 C GLY A 77 -4.342 9.558 0.878 1.00 10.00 C ATOM 1185 O GLY A 77 -3.575 9.017 1.676 1.00 10.00 O ATOM 0 H GLY A 77 -1.956 9.795 0.535 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.078 11.348 -0.289 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.211 9.886 -1.246 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.669 9.505 0.967 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.389 8.685 1.914 1.00 10.00 C ATOM 1191 C GLU A 78 -7.623 8.158 1.213 1.00 10.00 C ATOM 1192 O GLU A 78 -8.096 8.792 0.271 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.867 9.521 3.103 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.691 10.218 3.811 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.039 10.742 5.199 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.233 10.704 5.570 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.087 11.166 5.888 1.00 10.00 O ATOM 0 H GLU A 78 -6.282 10.050 0.361 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.735 7.889 2.269 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.581 10.269 2.759 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.392 8.881 3.812 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.861 9.517 3.894 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.347 11.048 3.194 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.156 7.055 1.734 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.473 6.570 1.382 1.00 10.00 C ATOM 1206 C LEU A 79 -10.473 7.682 1.642 1.00 10.00 C ATOM 1207 O LEU A 79 -10.406 8.364 2.666 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.808 5.322 2.206 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.185 4.762 1.825 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.206 4.189 0.401 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.646 3.689 2.805 1.00 10.00 C ATOM 0 H LEU A 79 -7.674 6.472 2.419 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.509 6.290 0.329 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.045 4.560 2.045 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.793 5.569 3.268 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.874 5.606 1.868 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.201 3.805 0.178 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.952 4.974 -0.311 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.479 3.380 0.323 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.625 3.316 2.503 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.930 2.867 2.808 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.714 4.115 3.806 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.388 7.886 0.705 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.347 8.956 0.784 1.00 10.00 C ATOM 1225 C HIS A 80 -13.260 8.845 2.015 1.00 10.00 C ATOM 1226 O HIS A 80 -13.237 7.828 2.708 1.00 10.00 O ATOM 1227 CB HIS A 80 -13.085 8.995 -0.553 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.650 10.338 -0.882 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.954 10.642 -1.192 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -12.923 11.492 -0.885 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.014 11.975 -1.354 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -13.806 12.540 -1.164 1.00 10.00 N ATOM 0 H HIS A 80 -11.479 7.307 -0.130 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.849 9.913 0.940 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.401 8.693 -1.346 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.893 8.264 -0.534 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -11.862 11.580 -0.705 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -15.912 12.521 -1.603 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -13.580 13.534 -1.214 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.031 9.884 2.372 1.00 10.00 N ATOM 1241 CA PRO A 81 -15.033 9.746 3.414 1.00 10.00 C ATOM 1242 C PRO A 81 -16.293 9.055 2.954 1.00 10.00 C ATOM 1243 O PRO A 81 -16.884 8.292 3.707 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.389 11.164 3.854 1.00 10.00 C ATOM 1245 CG PRO A 81 -14.110 11.934 3.540 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.713 11.292 2.210 1.00 10.00 C ATOM 0 HA PRO A 81 -14.621 9.130 4.213 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.245 11.557 3.305 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.641 11.210 4.913 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.285 13.006 3.446 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.348 11.801 4.308 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.265 11.730 1.378 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.653 11.437 2.001 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.698 9.312 1.710 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.864 8.655 1.144 1.00 10.00 C ATOM 1256 C ASP A 82 -17.696 7.120 1.165 1.00 10.00 C ATOM 1257 O ASP A 82 -18.658 6.359 1.103 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.067 9.186 -0.281 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.439 8.830 -0.834 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.430 9.218 -0.179 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.468 8.240 -1.935 1.00 10.00 O ATOM 0 H ASP A 82 -16.235 9.968 1.082 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.748 8.877 1.741 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -17.945 10.269 -0.285 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.296 8.776 -0.933 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.432 6.697 1.275 1.00 10.00 N ATOM 1267 CA ASP A 83 -15.883 5.364 1.297 1.00 10.00 C ATOM 1268 C ASP A 83 -15.786 4.804 2.729 1.00 10.00 C ATOM 1269 O ASP A 83 -15.317 3.680 2.905 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.469 5.553 0.714 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.361 5.369 -0.798 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -15.237 4.713 -1.390 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.358 5.867 -1.356 1.00 10.00 O ATOM 0 H ASP A 83 -15.683 7.384 1.361 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.502 4.658 0.744 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.119 6.553 0.968 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -13.796 4.847 1.199 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.156 5.585 3.753 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.029 5.233 5.163 1.00 10.00 C ATOM 1280 C ARG A 84 -17.372 5.443 5.870 1.00 10.00 C ATOM 1281 O ARG A 84 -17.474 6.421 6.643 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.923 6.081 5.810 1.00 10.00 C ATOM 1283 CG ARG A 84 -13.525 5.648 5.357 1.00 10.00 C ATOM 1284 CD ARG A 84 -12.446 6.520 6.014 1.00 10.00 C ATOM 1285 NE ARG A 84 -12.177 7.742 5.239 1.00 10.00 N ATOM 1286 CZ ARG A 84 -11.475 8.805 5.671 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -11.165 8.933 6.965 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -11.064 9.729 4.801 1.00 10.00 N ATOM 1289 OXT ARG A 84 -18.267 4.598 5.648 1.00 10.00 O ATOM 0 H ARG A 84 -16.565 6.509 3.612 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.754 4.183 5.258 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.077 7.130 5.557 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.993 6.001 6.895 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.361 4.602 5.616 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.449 5.723 4.272 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.763 6.792 7.021 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -11.526 5.944 6.114 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.555 7.787 4.293 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -11.461 8.221 7.633 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.632 9.742 7.284 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -11.282 9.629 3.810 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.532 10.536 5.127 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.585 -6.004 3.725 1.00 10.00 FE HETATM 1305 CHA HEM A 201 9.347 -7.994 4.393 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.583 -3.173 3.786 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.780 -3.975 3.243 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.536 -8.833 3.641 1.00 10.00 C HETATM 1309 NA HEM A 201 8.611 -5.654 3.951 1.00 10.00 N HETATM 1310 C1A HEM A 201 9.535 -6.609 4.276 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.775 -5.919 4.557 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.538 -4.566 4.436 1.00 10.00 C HETATM 1313 C4A HEM A 201 9.178 -4.410 3.996 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.435 -3.437 4.902 1.00 10.00 C HETATM 1315 CAA HEM A 201 12.051 -6.544 5.064 1.00 10.00 C HETATM 1316 CBA HEM A 201 12.019 -6.809 6.564 1.00 10.00 C HETATM 1317 CGA HEM A 201 13.433 -7.031 7.078 1.00 10.00 C HETATM 1318 O1A HEM A 201 14.133 -6.011 7.254 1.00 10.00 O HETATM 1319 O2A HEM A 201 13.797 -8.214 7.253 1.00 10.00 O HETATM 1320 NB HEM A 201 6.255 -3.968 3.487 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.232 -3.006 3.532 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.614 -1.720 3.308 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.269 -1.967 3.174 1.00 10.00 C HETATM 1324 C4B HEM A 201 5.034 -3.382 3.296 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.330 -0.391 3.259 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.188 -0.953 2.867 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.857 -0.008 3.765 1.00 10.00 C HETATM 1328 NC HEM A 201 4.530 -6.334 3.527 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.583 -5.344 3.367 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.284 -5.969 3.353 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.520 -7.321 3.393 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.934 -7.568 3.541 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.939 -5.274 3.310 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.454 -8.386 3.281 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.858 -8.633 2.094 1.00 10.00 C HETATM 1336 ND HEM A 201 6.894 -8.063 3.946 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.915 -9.021 3.840 1.00 10.00 C HETATM 1338 C2D HEM A 201 6.572 -10.305 3.947 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.900 -10.068 4.227 1.00 10.00 C HETATM 1340 C4D HEM A 201 8.113 -8.638 4.187 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.968 -11.675 3.725 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.927 -11.138 4.519 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.889 -11.602 5.980 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.917 -12.697 6.244 1.00 10.00 C HETATM 1345 O1D HEM A 201 9.782 -13.352 7.299 1.00 10.00 O HETATM 1346 O2D HEM A 201 10.812 -12.866 5.388 1.00 10.00 O HETATM 0 HMA1 HEM A 201 12.145 -3.816 5.637 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 10.828 -2.653 5.355 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.978 -3.028 4.050 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.209 -0.427 3.903 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.660 0.396 3.604 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.639 -0.182 2.235 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 1.014 -4.306 3.805 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.196 -5.886 3.821 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.637 -5.129 2.273 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.910 -11.652 3.984 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 6.480 -12.404 4.353 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 6.079 -11.956 2.678 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.077 0.716 3.531 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.369 0.034 4.726 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 0.090 -9.403 2.020 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.145 -8.063 1.211 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.404 -7.684 6.775 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 11.562 -5.966 7.082 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.890 -5.887 4.833 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 12.226 -7.482 4.537 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 7.892 -11.972 6.220 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 9.082 -10.754 6.637 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.921 -10.756 4.288 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 8.754 -11.992 3.865 1.00 10.00 H new HETATM 0 HHA HEM A 201 10.200 -8.602 4.657 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.208 -2.293 3.823 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.917 -3.342 3.099 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.907 -9.707 3.561 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.672 -0.989 1.908 1.00 10.00 H new HETATM 0 HAC HEM A 201 1.164 -8.958 4.163 1.00 10.00 H new