USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 661 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 21 THR OG1 : rot 76:sc= 2.34 USER MOD Set 1.2: A 33 THR OG1 : rot -130:sc= 1.01 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 166:sc= 2.24 (180deg=0.279) USER MOD Set 2.2: A 20 SER OG : rot -79:sc= 0.937 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 166:sc= 1.04 USER MOD Single : A 8 THR OG1 : rot -115:sc= 1.67 USER MOD Single : A 13 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 2.25 (180deg=2.2) USER MOD Single : A 15 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-3.9) USER MOD Single : A 16 ASN :FLIP amide:sc= -1.15 F(o=-1.9,f=-1.1) USER MOD Single : A 17 ASN : amide:sc= -0.861 K(o=-0.86,f=-3.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.398) USER MOD Single : A 49 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.8) USER MOD Single : A 55 THR OG1 : rot 27:sc= 0.583 USER MOD Single : A 57 ASN : amide:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 64 SER OG : rot 70:sc= 1.03 USER MOD Single : A 65 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 71 SER OG : rot 170:sc= -0.0323 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.294! (180deg=-1.25!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00801 USER MOD Single : A 80 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-4.3!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.552 (180deg=-0.623) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -0.513 (180deg=-0.513) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.025 (180deg=-0.025) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.262 (180deg=-0.803) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 4.306 -2.774 -15.823 1.00 10.00 N ATOM 2 CA ALA A 3 3.743 -4.135 -15.905 1.00 10.00 C ATOM 3 C ALA A 3 2.307 -4.088 -15.391 1.00 10.00 C ATOM 4 O ALA A 3 1.889 -3.026 -14.937 1.00 10.00 O ATOM 5 CB ALA A 3 4.594 -5.131 -15.109 1.00 10.00 C ATOM 0 HA ALA A 3 3.748 -4.479 -16.939 1.00 10.00 H new ATOM 0 HB1 ALA A 3 4.157 -6.126 -15.186 1.00 10.00 H new ATOM 0 HB2 ALA A 3 5.607 -5.147 -15.512 1.00 10.00 H new ATOM 0 HB3 ALA A 3 4.625 -4.828 -14.062 1.00 10.00 H new ATOM 13 N VAL A 4 1.571 -5.198 -15.467 1.00 10.00 N ATOM 14 CA VAL A 4 0.202 -5.307 -14.988 1.00 10.00 C ATOM 15 C VAL A 4 -0.066 -6.791 -14.732 1.00 10.00 C ATOM 16 O VAL A 4 0.623 -7.631 -15.311 1.00 10.00 O ATOM 17 CB VAL A 4 -0.771 -4.691 -16.015 1.00 10.00 C ATOM 18 CG1 VAL A 4 -0.766 -5.443 -17.354 1.00 10.00 C ATOM 19 CG2 VAL A 4 -2.207 -4.611 -15.478 1.00 10.00 C ATOM 0 H VAL A 4 1.924 -6.064 -15.874 1.00 10.00 H new ATOM 0 HA VAL A 4 0.050 -4.752 -14.062 1.00 10.00 H new ATOM 0 HB VAL A 4 -0.406 -3.679 -16.189 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -1.468 -4.969 -18.040 1.00 10.00 H new ATOM 0 HG12 VAL A 4 0.236 -5.416 -17.783 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -1.063 -6.479 -17.191 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.855 -4.171 -16.236 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -2.561 -5.613 -15.235 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -2.226 -3.992 -14.581 1.00 10.00 H new ATOM 29 N LYS A 5 -1.039 -7.081 -13.865 1.00 10.00 N ATOM 30 CA LYS A 5 -1.557 -8.388 -13.473 1.00 10.00 C ATOM 31 C LYS A 5 -2.540 -8.091 -12.346 1.00 10.00 C ATOM 32 O LYS A 5 -2.152 -7.475 -11.359 1.00 10.00 O ATOM 33 CB LYS A 5 -0.436 -9.322 -12.985 1.00 10.00 C ATOM 34 CG LYS A 5 0.007 -10.306 -14.077 1.00 10.00 C ATOM 35 CD LYS A 5 1.490 -10.656 -13.903 1.00 10.00 C ATOM 36 CE LYS A 5 1.971 -11.531 -15.068 1.00 10.00 C ATOM 37 NZ LYS A 5 3.408 -11.859 -14.957 1.00 10.00 N ATOM 0 H LYS A 5 -1.529 -6.333 -13.375 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.025 -8.903 -14.312 1.00 10.00 H new ATOM 0 HB2 LYS A 5 0.419 -8.726 -12.665 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.781 -9.878 -12.114 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -0.597 -11.212 -14.027 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -0.158 -9.867 -15.061 1.00 10.00 H new ATOM 0 HD2 LYS A 5 2.083 -9.743 -13.856 1.00 10.00 H new ATOM 0 HD3 LYS A 5 1.638 -11.181 -12.959 1.00 10.00 H new ATOM 0 HE2 LYS A 5 1.390 -12.453 -15.093 1.00 10.00 H new ATOM 0 HE3 LYS A 5 1.789 -11.013 -16.010 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 3.692 -12.451 -15.763 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 3.966 -10.981 -14.959 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 3.579 -12.376 -14.071 1.00 10.00 H new ATOM 51 N TYR A 6 -3.820 -8.424 -12.508 1.00 10.00 N ATOM 52 CA TYR A 6 -4.805 -8.054 -11.506 1.00 10.00 C ATOM 53 C TYR A 6 -4.723 -9.000 -10.311 1.00 10.00 C ATOM 54 O TYR A 6 -4.364 -10.164 -10.478 1.00 10.00 O ATOM 55 CB TYR A 6 -6.212 -8.019 -12.096 1.00 10.00 C ATOM 56 CG TYR A 6 -6.339 -7.203 -13.367 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.107 -7.800 -14.620 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.561 -5.817 -13.285 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.006 -7.000 -15.771 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.460 -5.018 -14.436 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.156 -5.607 -15.675 1.00 10.00 C ATOM 62 OH TYR A 6 -5.984 -4.829 -16.780 1.00 10.00 O ATOM 0 H TYR A 6 -4.189 -8.939 -13.308 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.580 -7.046 -11.159 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.532 -9.041 -12.301 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.896 -7.615 -11.350 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.007 -8.873 -14.697 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.810 -5.366 -12.336 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.813 -7.457 -16.730 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.616 -3.951 -14.369 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.124 -3.889 -16.543 1.00 10.00 H new ATOM 72 N TYR A 7 -5.065 -8.505 -9.120 1.00 10.00 N ATOM 73 CA TYR A 7 -5.054 -9.279 -7.887 1.00 10.00 C ATOM 74 C TYR A 7 -6.402 -9.115 -7.186 1.00 10.00 C ATOM 75 O TYR A 7 -6.975 -8.024 -7.189 1.00 10.00 O ATOM 76 CB TYR A 7 -3.894 -8.818 -6.997 1.00 10.00 C ATOM 77 CG TYR A 7 -2.549 -8.730 -7.698 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.965 -9.871 -8.283 1.00 10.00 C ATOM 79 CD2 TYR A 7 -1.912 -7.485 -7.827 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.782 -9.750 -9.037 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.725 -7.372 -8.563 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.183 -8.491 -9.210 1.00 10.00 C ATOM 83 OH TYR A 7 0.912 -8.350 -10.014 1.00 10.00 O ATOM 0 H TYR A 7 -5.362 -7.538 -8.988 1.00 10.00 H new ATOM 0 HA TYR A 7 -4.904 -10.337 -8.103 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.138 -7.839 -6.585 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.805 -9.505 -6.155 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.425 -10.839 -8.153 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.339 -6.611 -7.357 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.335 -10.626 -9.483 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.225 -6.417 -8.632 1.00 10.00 H new ATOM 0 HH TYR A 7 1.058 -7.400 -10.204 1.00 10.00 H new ATOM 93 N THR A 8 -6.931 -10.204 -6.629 1.00 10.00 N ATOM 94 CA THR A 8 -8.195 -10.201 -5.909 1.00 10.00 C ATOM 95 C THR A 8 -8.001 -9.601 -4.513 1.00 10.00 C ATOM 96 O THR A 8 -6.879 -9.543 -4.005 1.00 10.00 O ATOM 97 CB THR A 8 -8.727 -11.637 -5.801 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.886 -12.371 -4.938 1.00 10.00 O ATOM 99 CG2 THR A 8 -8.829 -12.335 -7.162 1.00 10.00 C ATOM 0 H THR A 8 -6.486 -11.121 -6.668 1.00 10.00 H new ATOM 0 HA THR A 8 -8.919 -9.593 -6.452 1.00 10.00 H new ATOM 0 HB THR A 8 -9.740 -11.591 -5.400 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.445 -13.087 -5.442 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.211 -13.347 -7.024 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.507 -11.776 -7.808 1.00 10.00 H new ATOM 0 HG23 THR A 8 -7.842 -12.379 -7.623 1.00 10.00 H new ATOM 107 N LEU A 9 -9.102 -9.203 -3.867 1.00 10.00 N ATOM 108 CA LEU A 9 -9.065 -8.739 -2.485 1.00 10.00 C ATOM 109 C LEU A 9 -8.375 -9.796 -1.618 1.00 10.00 C ATOM 110 O LEU A 9 -7.493 -9.475 -0.835 1.00 10.00 O ATOM 111 CB LEU A 9 -10.489 -8.443 -1.981 1.00 10.00 C ATOM 112 CG LEU A 9 -10.591 -7.157 -1.139 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.994 -7.048 -0.528 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.581 -7.102 0.011 1.00 10.00 C ATOM 0 H LEU A 9 -10.032 -9.195 -4.286 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.497 -7.811 -2.423 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.159 -8.361 -2.837 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.837 -9.286 -1.384 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.377 -6.334 -1.821 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -12.062 -6.137 0.067 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.737 -7.017 -1.325 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.181 -7.912 0.109 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.708 -6.170 0.563 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.746 -7.946 0.681 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.569 -7.151 -0.391 1.00 10.00 H new ATOM 126 N GLU A 10 -8.763 -11.060 -1.806 1.00 10.00 N ATOM 127 CA GLU A 10 -8.162 -12.249 -1.209 1.00 10.00 C ATOM 128 C GLU A 10 -6.641 -12.261 -1.355 1.00 10.00 C ATOM 129 O GLU A 10 -5.905 -12.206 -0.365 1.00 10.00 O ATOM 130 CB GLU A 10 -8.825 -13.462 -1.868 1.00 10.00 C ATOM 131 CG GLU A 10 -8.178 -14.820 -1.585 1.00 10.00 C ATOM 132 CD GLU A 10 -7.916 -15.158 -0.126 1.00 10.00 C ATOM 133 OE1 GLU A 10 -8.612 -14.613 0.753 1.00 10.00 O ATOM 134 OE2 GLU A 10 -6.988 -15.979 0.061 1.00 10.00 O ATOM 0 H GLU A 10 -9.549 -11.291 -2.413 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.336 -12.266 -0.133 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -9.865 -13.503 -1.543 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.834 -13.304 -2.946 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -8.818 -15.596 -2.005 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.230 -14.864 -2.121 1.00 10.00 H new ATOM 141 N GLU A 11 -6.178 -12.350 -2.603 1.00 10.00 N ATOM 142 CA GLU A 11 -4.762 -12.336 -2.947 1.00 10.00 C ATOM 143 C GLU A 11 -4.034 -11.247 -2.165 1.00 10.00 C ATOM 144 O GLU A 11 -3.028 -11.509 -1.509 1.00 10.00 O ATOM 145 CB GLU A 11 -4.596 -12.133 -4.458 1.00 10.00 C ATOM 146 CG GLU A 11 -4.306 -13.445 -5.199 1.00 10.00 C ATOM 147 CD GLU A 11 -5.397 -14.481 -4.990 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.416 -14.375 -5.705 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.205 -15.337 -4.096 1.00 10.00 O ATOM 0 H GLU A 11 -6.790 -12.435 -3.414 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.319 -13.295 -2.676 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.503 -11.684 -4.863 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.783 -11.430 -4.640 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.201 -13.242 -6.265 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.354 -13.850 -4.856 1.00 10.00 H new ATOM 156 N ILE A 12 -4.554 -10.024 -2.232 1.00 10.00 N ATOM 157 CA ILE A 12 -3.916 -8.887 -1.594 1.00 10.00 C ATOM 158 C ILE A 12 -3.957 -9.050 -0.069 1.00 10.00 C ATOM 159 O ILE A 12 -2.945 -8.843 0.599 1.00 10.00 O ATOM 160 CB ILE A 12 -4.569 -7.585 -2.093 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.535 -7.493 -3.634 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.840 -6.365 -1.518 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.618 -6.556 -4.170 1.00 10.00 C ATOM 0 H ILE A 12 -5.419 -9.800 -2.725 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.862 -8.835 -1.867 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.606 -7.596 -1.757 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.556 -7.139 -3.956 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.670 -8.487 -4.061 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.314 -5.453 -1.881 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -3.889 -6.391 -0.429 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.797 -6.382 -1.834 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.561 -6.518 -5.258 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.599 -6.925 -3.871 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.467 -5.556 -3.764 1.00 10.00 H new ATOM 175 N GLN A 13 -5.098 -9.464 0.484 1.00 10.00 N ATOM 176 CA GLN A 13 -5.297 -9.645 1.906 1.00 10.00 C ATOM 177 C GLN A 13 -4.223 -10.539 2.493 1.00 10.00 C ATOM 178 O GLN A 13 -3.616 -10.164 3.484 1.00 10.00 O ATOM 179 CB GLN A 13 -6.706 -10.174 2.196 1.00 10.00 C ATOM 180 CG GLN A 13 -7.704 -9.025 2.375 1.00 10.00 C ATOM 181 CD GLN A 13 -7.506 -8.243 3.673 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.622 -8.537 4.471 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.337 -7.233 3.908 1.00 10.00 N ATOM 0 H GLN A 13 -5.926 -9.686 -0.068 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.209 -8.674 2.393 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.031 -10.817 1.378 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.689 -10.788 3.097 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.614 -8.341 1.531 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.717 -9.427 2.353 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.066 -7.004 3.232 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.246 -6.687 4.764 1.00 10.00 H new ATOM 192 N LYS A 14 -3.921 -11.686 1.885 1.00 10.00 N ATOM 193 CA LYS A 14 -2.878 -12.569 2.407 1.00 10.00 C ATOM 194 C LYS A 14 -1.546 -11.833 2.642 1.00 10.00 C ATOM 195 O LYS A 14 -0.785 -12.172 3.550 1.00 10.00 O ATOM 196 CB LYS A 14 -2.713 -13.770 1.472 1.00 10.00 C ATOM 197 CG LYS A 14 -3.910 -14.714 1.633 1.00 10.00 C ATOM 198 CD LYS A 14 -3.892 -15.842 0.596 1.00 10.00 C ATOM 199 CE LYS A 14 -4.169 -15.289 -0.809 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.986 -16.209 -1.619 1.00 10.00 N ATOM 0 H LYS A 14 -4.379 -12.023 1.038 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.191 -12.927 3.388 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.640 -13.432 0.438 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.787 -14.298 1.701 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -3.902 -15.142 2.635 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.836 -14.146 1.536 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -2.924 -16.342 0.611 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.641 -16.591 0.852 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -4.680 -14.330 -0.726 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -3.223 -15.103 -1.317 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.289 -15.729 -2.490 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.423 -17.048 -1.865 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.823 -16.501 -1.075 1.00 10.00 H new ATOM 214 N HIS A 15 -1.279 -10.779 1.872 1.00 10.00 N ATOM 215 CA HIS A 15 -0.090 -9.954 2.006 1.00 10.00 C ATOM 216 C HIS A 15 -0.387 -8.828 3.010 1.00 10.00 C ATOM 217 O HIS A 15 -0.276 -7.645 2.685 1.00 10.00 O ATOM 218 CB HIS A 15 0.326 -9.432 0.622 1.00 10.00 C ATOM 219 CG HIS A 15 0.747 -10.481 -0.388 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.794 -10.361 -1.273 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.093 -11.643 -0.708 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.801 -11.445 -2.064 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.792 -12.267 -1.746 1.00 10.00 N ATOM 0 H HIS A 15 -1.900 -10.472 1.123 1.00 10.00 H new ATOM 0 HA HIS A 15 0.752 -10.528 2.393 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.507 -8.868 0.203 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.151 -8.732 0.753 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.807 -12.013 -0.239 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.520 -11.629 -2.848 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.577 -13.167 -2.175 1.00 10.00 H new ATOM 231 N ASN A 16 -0.735 -9.222 4.243 1.00 10.00 N ATOM 232 CA ASN A 16 -1.090 -8.349 5.365 1.00 10.00 C ATOM 233 C ASN A 16 -0.177 -8.655 6.547 1.00 10.00 C ATOM 234 O ASN A 16 -0.616 -9.101 7.599 1.00 10.00 O ATOM 235 CB ASN A 16 -2.582 -8.423 5.762 1.00 10.00 C ATOM 236 CG ASN A 16 -3.004 -9.712 6.483 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.784 -10.864 5.860 1.00 10.00 O flip ATOM 238 ND2 ASN A 16 -3.515 -9.677 7.598 1.00 10.00 N flip ATOM 0 H ASN A 16 -0.778 -10.209 4.495 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.939 -7.320 5.040 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.813 -7.574 6.405 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.187 -8.315 4.862 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.675 -8.781 8.058 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.780 -10.544 8.065 1.00 10.00 H new ATOM 245 N ASN A 17 1.122 -8.422 6.372 1.00 10.00 N ATOM 246 CA ASN A 17 2.105 -8.617 7.439 1.00 10.00 C ATOM 247 C ASN A 17 2.281 -10.106 7.724 1.00 10.00 C ATOM 248 O ASN A 17 2.333 -10.537 8.872 1.00 10.00 O ATOM 249 CB ASN A 17 1.737 -7.850 8.723 1.00 10.00 C ATOM 250 CG ASN A 17 2.874 -7.839 9.744 1.00 10.00 C ATOM 251 OD1 ASN A 17 4.041 -8.000 9.397 1.00 10.00 O ATOM 252 ND2 ASN A 17 2.547 -7.626 11.015 1.00 10.00 N ATOM 0 H ASN A 17 1.522 -8.095 5.493 1.00 10.00 H new ATOM 0 HA ASN A 17 3.053 -8.206 7.092 1.00 10.00 H new ATOM 0 HB2 ASN A 17 1.473 -6.824 8.467 1.00 10.00 H new ATOM 0 HB3 ASN A 17 0.854 -8.303 9.173 1.00 10.00 H new ATOM 0 HD21 ASN A 17 3.274 -7.593 11.730 1.00 10.00 H new ATOM 0 HD22 ASN A 17 1.569 -7.495 11.275 1.00 10.00 H new ATOM 259 N SER A 18 2.380 -10.892 6.652 1.00 10.00 N ATOM 260 CA SER A 18 2.700 -12.304 6.730 1.00 10.00 C ATOM 261 C SER A 18 3.683 -12.593 5.602 1.00 10.00 C ATOM 262 O SER A 18 4.890 -12.582 5.824 1.00 10.00 O ATOM 263 CB SER A 18 1.411 -13.142 6.707 1.00 10.00 C ATOM 264 OG SER A 18 1.697 -14.524 6.806 1.00 10.00 O ATOM 0 H SER A 18 2.238 -10.556 5.699 1.00 10.00 H new ATOM 0 HA SER A 18 3.180 -12.581 7.668 1.00 10.00 H new ATOM 0 HB2 SER A 18 0.764 -12.842 7.532 1.00 10.00 H new ATOM 0 HB3 SER A 18 0.863 -12.946 5.785 1.00 10.00 H new ATOM 0 HG SER A 18 0.860 -15.033 6.791 1.00 10.00 H new ATOM 270 N LYS A 19 3.187 -12.796 4.377 1.00 10.00 N ATOM 271 CA LYS A 19 4.072 -13.054 3.253 1.00 10.00 C ATOM 272 C LYS A 19 4.776 -11.765 2.825 1.00 10.00 C ATOM 273 O LYS A 19 5.995 -11.761 2.657 1.00 10.00 O ATOM 274 CB LYS A 19 3.296 -13.730 2.113 1.00 10.00 C ATOM 275 CG LYS A 19 4.239 -14.281 1.032 1.00 10.00 C ATOM 276 CD LYS A 19 4.491 -13.291 -0.120 1.00 10.00 C ATOM 277 CE LYS A 19 5.964 -13.265 -0.563 1.00 10.00 C ATOM 278 NZ LYS A 19 6.787 -12.372 0.280 1.00 10.00 N ATOM 0 H LYS A 19 2.193 -12.786 4.148 1.00 10.00 H new ATOM 0 HA LYS A 19 4.856 -13.750 3.551 1.00 10.00 H new ATOM 0 HB2 LYS A 19 2.691 -14.542 2.516 1.00 10.00 H new ATOM 0 HB3 LYS A 19 2.609 -13.012 1.665 1.00 10.00 H new ATOM 0 HG2 LYS A 19 5.192 -14.544 1.491 1.00 10.00 H new ATOM 0 HG3 LYS A 19 3.817 -15.200 0.626 1.00 10.00 H new ATOM 0 HD2 LYS A 19 3.864 -13.560 -0.970 1.00 10.00 H new ATOM 0 HD3 LYS A 19 4.191 -12.291 0.193 1.00 10.00 H new ATOM 0 HE2 LYS A 19 6.371 -14.275 -0.523 1.00 10.00 H new ATOM 0 HE3 LYS A 19 6.023 -12.938 -1.601 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 7.795 -12.561 0.106 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 6.575 -11.381 0.046 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 6.571 -12.545 1.283 1.00 10.00 H new ATOM 292 N SER A 20 4.008 -10.694 2.614 1.00 10.00 N ATOM 293 CA SER A 20 4.471 -9.364 2.258 1.00 10.00 C ATOM 294 C SER A 20 3.475 -8.356 2.848 1.00 10.00 C ATOM 295 O SER A 20 2.580 -8.730 3.612 1.00 10.00 O ATOM 296 CB SER A 20 4.511 -9.220 0.728 1.00 10.00 C ATOM 297 OG SER A 20 5.474 -10.036 0.085 1.00 10.00 O ATOM 0 H SER A 20 2.992 -10.741 2.693 1.00 10.00 H new ATOM 0 HA SER A 20 5.474 -9.188 2.648 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.526 -9.459 0.328 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.712 -8.178 0.479 1.00 10.00 H new ATOM 0 HG SER A 20 6.360 -9.625 0.170 1.00 10.00 H new ATOM 303 N THR A 21 3.639 -7.093 2.457 1.00 10.00 N ATOM 304 CA THR A 21 2.772 -5.968 2.758 1.00 10.00 C ATOM 305 C THR A 21 2.258 -5.369 1.439 1.00 10.00 C ATOM 306 O THR A 21 2.946 -4.538 0.844 1.00 10.00 O ATOM 307 CB THR A 21 3.586 -4.936 3.563 1.00 10.00 C ATOM 308 OG1 THR A 21 4.538 -5.592 4.385 1.00 10.00 O ATOM 309 CG2 THR A 21 2.650 -4.083 4.411 1.00 10.00 C ATOM 0 H THR A 21 4.436 -6.816 1.884 1.00 10.00 H new ATOM 0 HA THR A 21 1.911 -6.278 3.350 1.00 10.00 H new ATOM 0 HB THR A 21 4.120 -4.288 2.868 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.286 -5.904 3.834 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.233 -3.356 4.977 1.00 10.00 H new ATOM 0 HG22 THR A 21 1.948 -3.559 3.763 1.00 10.00 H new ATOM 0 HG23 THR A 21 2.099 -4.723 5.101 1.00 10.00 H new ATOM 317 N TRP A 22 1.083 -5.798 0.964 1.00 10.00 N ATOM 318 CA TRP A 22 0.395 -5.167 -0.156 1.00 10.00 C ATOM 319 C TRP A 22 -0.800 -4.379 0.379 1.00 10.00 C ATOM 320 O TRP A 22 -1.173 -4.556 1.536 1.00 10.00 O ATOM 321 CB TRP A 22 -0.095 -6.219 -1.154 1.00 10.00 C ATOM 322 CG TRP A 22 0.917 -6.996 -1.941 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.258 -6.912 -1.819 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.680 -7.913 -3.055 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.861 -7.710 -2.764 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.940 -8.341 -3.569 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.471 -8.401 -3.707 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.052 -9.208 -4.666 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.374 -9.298 -4.787 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.884 -9.695 -5.273 1.00 10.00 C ATOM 0 H TRP A 22 0.584 -6.598 1.352 1.00 10.00 H new ATOM 0 HA TRP A 22 1.089 -4.501 -0.669 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.706 -6.935 -0.605 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.752 -5.718 -1.865 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.779 -6.310 -1.090 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.871 -7.821 -2.857 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.446 -8.080 -3.371 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.024 -9.497 -5.038 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.272 -9.684 -5.246 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.951 -10.373 -6.111 1.00 10.00 H new ATOM 341 N LEU A 23 -1.416 -3.531 -0.450 1.00 10.00 N ATOM 342 CA LEU A 23 -2.608 -2.765 -0.097 1.00 10.00 C ATOM 343 C LEU A 23 -3.190 -2.100 -1.345 1.00 10.00 C ATOM 344 O LEU A 23 -2.521 -2.068 -2.381 1.00 10.00 O ATOM 345 CB LEU A 23 -2.328 -1.764 1.036 1.00 10.00 C ATOM 346 CG LEU A 23 -1.024 -0.968 0.874 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.210 0.247 -0.030 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.572 -0.453 2.238 1.00 10.00 C ATOM 0 H LEU A 23 -1.092 -3.357 -1.401 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.361 -3.449 0.294 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.161 -1.064 1.099 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.294 -2.305 1.982 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.288 -1.639 0.431 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.265 0.783 -0.119 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.535 -0.081 -1.017 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.963 0.908 0.399 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.353 0.112 2.125 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.343 0.193 2.657 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.403 -1.296 2.907 1.00 10.00 H new ATOM 360 N ILE A 24 -4.429 -1.598 -1.233 1.00 10.00 N ATOM 361 CA ILE A 24 -5.223 -1.040 -2.330 1.00 10.00 C ATOM 362 C ILE A 24 -5.433 0.456 -2.104 1.00 10.00 C ATOM 363 O ILE A 24 -6.134 0.849 -1.163 1.00 10.00 O ATOM 364 CB ILE A 24 -6.593 -1.740 -2.444 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.427 -3.215 -2.833 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.466 -1.047 -3.507 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.673 -4.028 -2.454 1.00 10.00 C ATOM 0 H ILE A 24 -4.921 -1.570 -0.340 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.677 -1.203 -3.259 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.075 -1.675 -1.468 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.249 -3.294 -3.906 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.552 -3.630 -2.333 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.429 -1.554 -3.574 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.623 -0.006 -3.226 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.965 -1.090 -4.474 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.529 -5.070 -2.741 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.834 -3.967 -1.378 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.542 -3.625 -2.974 1.00 10.00 H new ATOM 379 N LEU A 25 -4.868 1.273 -2.998 1.00 10.00 N ATOM 380 CA LEU A 25 -5.111 2.703 -3.079 1.00 10.00 C ATOM 381 C LEU A 25 -5.777 2.947 -4.437 1.00 10.00 C ATOM 382 O LEU A 25 -5.169 2.685 -5.472 1.00 10.00 O ATOM 383 CB LEU A 25 -3.789 3.475 -2.949 1.00 10.00 C ATOM 384 CG LEU A 25 -3.191 3.729 -1.560 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.628 2.697 -0.549 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.660 3.787 -1.623 1.00 10.00 C ATOM 0 H LEU A 25 -4.210 0.940 -3.703 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.753 3.053 -2.271 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.040 2.939 -3.533 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.930 4.445 -3.425 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.571 4.696 -1.230 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.178 2.921 0.418 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.714 2.715 -0.456 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.308 1.708 -0.877 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.261 3.968 -0.625 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.275 2.840 -2.001 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.354 4.594 -2.288 1.00 10.00 H new ATOM 398 N HIS A 26 -7.034 3.401 -4.449 1.00 10.00 N ATOM 399 CA HIS A 26 -7.773 3.750 -5.666 1.00 10.00 C ATOM 400 C HIS A 26 -7.782 2.597 -6.675 1.00 10.00 C ATOM 401 O HIS A 26 -7.468 2.779 -7.851 1.00 10.00 O ATOM 402 CB HIS A 26 -7.220 5.036 -6.299 1.00 10.00 C ATOM 403 CG HIS A 26 -7.108 6.182 -5.333 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.103 7.069 -4.989 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.997 6.495 -4.602 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.592 7.903 -4.066 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.317 7.581 -3.792 1.00 10.00 N ATOM 0 H HIS A 26 -7.577 3.539 -3.596 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.807 3.935 -5.376 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.236 4.830 -6.721 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.866 5.331 -7.126 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.051 7.090 -5.364 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.043 5.991 -4.645 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.132 8.719 -3.608 1.00 10.00 H new ATOM 415 N TYR A 27 -8.118 1.397 -6.195 1.00 10.00 N ATOM 416 CA TYR A 27 -8.171 0.169 -6.982 1.00 10.00 C ATOM 417 C TYR A 27 -6.816 -0.234 -7.584 1.00 10.00 C ATOM 418 O TYR A 27 -6.777 -1.140 -8.415 1.00 10.00 O ATOM 419 CB TYR A 27 -9.239 0.258 -8.084 1.00 10.00 C ATOM 420 CG TYR A 27 -10.604 0.786 -7.679 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.303 0.194 -6.609 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.264 1.709 -8.512 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.676 0.443 -6.439 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.631 1.979 -8.322 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.342 1.331 -7.299 1.00 10.00 C ATOM 426 OH TYR A 27 -14.688 1.514 -7.200 1.00 10.00 O ATOM 0 H TYR A 27 -8.368 1.252 -5.217 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.447 -0.617 -6.279 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.852 0.894 -8.880 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.373 -0.737 -8.508 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.783 -0.453 -5.918 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.720 2.211 -9.298 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.219 -0.049 -5.646 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.135 2.686 -8.964 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.980 2.164 -7.873 1.00 10.00 H new ATOM 436 N LYS A 28 -5.709 0.402 -7.186 1.00 10.00 N ATOM 437 CA LYS A 28 -4.370 0.056 -7.638 1.00 10.00 C ATOM 438 C LYS A 28 -3.645 -0.608 -6.469 1.00 10.00 C ATOM 439 O LYS A 28 -3.718 -0.105 -5.344 1.00 10.00 O ATOM 440 CB LYS A 28 -3.658 1.322 -8.129 1.00 10.00 C ATOM 441 CG LYS A 28 -4.348 1.907 -9.370 1.00 10.00 C ATOM 442 CD LYS A 28 -3.399 1.887 -10.575 1.00 10.00 C ATOM 443 CE LYS A 28 -4.116 2.295 -11.868 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.556 3.702 -11.859 1.00 10.00 N ATOM 0 H LYS A 28 -5.726 1.183 -6.530 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.391 -0.641 -8.476 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.646 2.066 -7.333 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.619 1.089 -8.364 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.246 1.333 -9.598 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.666 2.930 -9.168 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.564 2.564 -10.392 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.979 0.888 -10.691 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.448 2.133 -12.714 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.982 1.650 -12.017 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.034 3.922 -12.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.215 3.855 -11.069 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.730 4.323 -11.745 1.00 10.00 H new ATOM 458 N VAL A 29 -2.998 -1.752 -6.720 1.00 10.00 N ATOM 459 CA VAL A 29 -2.291 -2.503 -5.698 1.00 10.00 C ATOM 460 C VAL A 29 -0.817 -2.096 -5.672 1.00 10.00 C ATOM 461 O VAL A 29 -0.157 -2.043 -6.715 1.00 10.00 O ATOM 462 CB VAL A 29 -2.436 -4.013 -5.923 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.078 -4.765 -4.636 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.864 -4.382 -6.325 1.00 10.00 C ATOM 0 H VAL A 29 -2.955 -2.178 -7.646 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.735 -2.269 -4.730 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.760 -4.295 -6.730 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.182 -5.837 -4.800 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -1.049 -4.539 -4.357 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.748 -4.454 -3.834 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.932 -5.459 -6.477 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.553 -4.082 -5.536 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.126 -3.868 -7.250 1.00 10.00 H new ATOM 474 N TYR A 30 -0.307 -1.831 -4.468 1.00 10.00 N ATOM 475 CA TYR A 30 1.066 -1.411 -4.233 1.00 10.00 C ATOM 476 C TYR A 30 1.754 -2.434 -3.334 1.00 10.00 C ATOM 477 O TYR A 30 1.198 -2.751 -2.284 1.00 10.00 O ATOM 478 CB TYR A 30 1.042 -0.031 -3.566 1.00 10.00 C ATOM 479 CG TYR A 30 0.462 1.040 -4.466 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.275 1.660 -5.431 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.925 1.268 -4.477 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.711 2.550 -6.363 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.487 2.121 -5.440 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.670 2.785 -6.363 1.00 10.00 C ATOM 485 OH TYR A 30 -1.219 3.624 -7.287 1.00 10.00 O ATOM 0 H TYR A 30 -0.855 -1.906 -3.611 1.00 10.00 H new ATOM 0 HA TYR A 30 1.618 -1.347 -5.170 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.457 -0.085 -2.648 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.056 0.249 -3.281 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.335 1.453 -5.457 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.558 0.787 -3.745 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.344 3.053 -7.080 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.557 2.266 -5.469 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.188 3.675 -7.148 1.00 10.00 H new ATOM 495 N ASP A 31 2.944 -2.919 -3.720 1.00 10.00 N ATOM 496 CA ASP A 31 3.830 -3.649 -2.811 1.00 10.00 C ATOM 497 C ASP A 31 4.865 -2.657 -2.302 1.00 10.00 C ATOM 498 O ASP A 31 5.641 -2.126 -3.094 1.00 10.00 O ATOM 499 CB ASP A 31 4.534 -4.834 -3.492 1.00 10.00 C ATOM 500 CG ASP A 31 5.346 -5.672 -2.500 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.894 -5.085 -1.543 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.370 -6.912 -2.673 1.00 10.00 O ATOM 0 H ASP A 31 3.314 -2.815 -4.665 1.00 10.00 H new ATOM 0 HA ASP A 31 3.237 -4.071 -2.000 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.790 -5.467 -3.976 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.194 -4.461 -4.275 1.00 10.00 H new ATOM 507 N LEU A 32 4.861 -2.389 -0.995 1.00 10.00 N ATOM 508 CA LEU A 32 5.838 -1.523 -0.357 1.00 10.00 C ATOM 509 C LEU A 32 6.547 -2.312 0.745 1.00 10.00 C ATOM 510 O LEU A 32 7.049 -1.738 1.709 1.00 10.00 O ATOM 511 CB LEU A 32 5.143 -0.279 0.211 1.00 10.00 C ATOM 512 CG LEU A 32 4.158 0.399 -0.768 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.823 0.661 -0.066 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.789 1.675 -1.336 1.00 10.00 C ATOM 0 H LEU A 32 4.171 -2.773 -0.349 1.00 10.00 H new ATOM 0 HA LEU A 32 6.577 -1.187 -1.085 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.603 -0.559 1.116 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.903 0.446 0.504 1.00 10.00 H new ATOM 0 HG LEU A 32 3.951 -0.261 -1.611 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.134 1.139 -0.762 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.399 -0.284 0.273 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.985 1.315 0.791 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.091 2.150 -2.026 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.018 2.362 -0.521 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.707 1.422 -1.866 1.00 10.00 H new ATOM 526 N THR A 33 6.580 -3.640 0.624 1.00 10.00 N ATOM 527 CA THR A 33 7.084 -4.527 1.658 1.00 10.00 C ATOM 528 C THR A 33 8.584 -4.318 1.872 1.00 10.00 C ATOM 529 O THR A 33 9.068 -4.471 2.989 1.00 10.00 O ATOM 530 CB THR A 33 6.683 -5.975 1.337 1.00 10.00 C ATOM 531 OG1 THR A 33 6.391 -6.664 2.541 1.00 10.00 O ATOM 532 CG2 THR A 33 7.714 -6.762 0.520 1.00 10.00 C ATOM 0 H THR A 33 6.252 -4.130 -0.208 1.00 10.00 H new ATOM 0 HA THR A 33 6.626 -4.287 2.618 1.00 10.00 H new ATOM 0 HB THR A 33 5.801 -5.906 0.700 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.879 -7.514 2.558 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.344 -7.772 0.343 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.879 -6.263 -0.435 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.653 -6.811 1.071 1.00 10.00 H new ATOM 540 N LYS A 34 9.309 -3.933 0.815 1.00 10.00 N ATOM 541 CA LYS A 34 10.706 -3.541 0.894 1.00 10.00 C ATOM 542 C LYS A 34 10.830 -2.020 1.064 1.00 10.00 C ATOM 543 O LYS A 34 11.880 -1.462 0.759 1.00 10.00 O ATOM 544 CB LYS A 34 11.434 -4.012 -0.377 1.00 10.00 C ATOM 545 CG LYS A 34 12.959 -4.011 -0.167 1.00 10.00 C ATOM 546 CD LYS A 34 13.761 -3.355 -1.311 1.00 10.00 C ATOM 547 CE LYS A 34 14.856 -2.408 -0.782 1.00 10.00 C ATOM 548 NZ LYS A 34 14.308 -1.134 -0.268 1.00 10.00 N ATOM 0 H LYS A 34 8.928 -3.887 -0.130 1.00 10.00 H new ATOM 0 HA LYS A 34 11.166 -4.010 1.764 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.100 -5.015 -0.642 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.177 -3.359 -1.211 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.185 -3.490 0.763 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.297 -5.040 -0.046 1.00 10.00 H new ATOM 0 HD2 LYS A 34 14.219 -4.131 -1.924 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.082 -2.798 -1.957 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.410 -2.908 0.013 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.566 -2.197 -1.582 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.902 -0.791 0.514 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.298 -0.427 -1.031 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.338 -1.287 0.075 1.00 10.00 H new ATOM 562 N PHE A 35 9.774 -1.334 1.508 1.00 10.00 N ATOM 563 CA PHE A 35 9.780 0.109 1.709 1.00 10.00 C ATOM 564 C PHE A 35 9.247 0.465 3.095 1.00 10.00 C ATOM 565 O PHE A 35 8.923 1.615 3.350 1.00 10.00 O ATOM 566 CB PHE A 35 8.926 0.781 0.626 1.00 10.00 C ATOM 567 CG PHE A 35 9.343 2.201 0.281 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.666 2.459 -0.115 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.437 3.271 0.411 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.103 3.776 -0.327 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.868 4.591 0.183 1.00 10.00 C ATOM 572 CZ PHE A 35 10.205 4.845 -0.171 1.00 10.00 C ATOM 0 H PHE A 35 8.883 -1.774 1.739 1.00 10.00 H new ATOM 0 HA PHE A 35 10.806 0.469 1.637 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.967 0.174 -0.279 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.887 0.792 0.956 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.352 1.637 -0.257 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.410 3.078 0.686 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.128 3.967 -0.610 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.171 5.410 0.280 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.541 5.860 -0.323 1.00 10.00 H new ATOM 582 N LEU A 36 9.118 -0.510 3.992 1.00 10.00 N ATOM 583 CA LEU A 36 8.466 -0.300 5.277 1.00 10.00 C ATOM 584 C LEU A 36 9.270 0.669 6.140 1.00 10.00 C ATOM 585 O LEU A 36 8.782 1.729 6.520 1.00 10.00 O ATOM 586 CB LEU A 36 8.296 -1.653 5.969 1.00 10.00 C ATOM 587 CG LEU A 36 7.353 -2.579 5.196 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.415 -3.965 5.836 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.914 -2.064 5.222 1.00 10.00 C ATOM 0 H LEU A 36 9.460 -1.460 3.848 1.00 10.00 H new ATOM 0 HA LEU A 36 7.484 0.148 5.123 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.270 -2.132 6.073 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.908 -1.499 6.976 1.00 10.00 H new ATOM 0 HG LEU A 36 7.669 -2.617 4.153 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.750 -4.643 5.301 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.436 -4.344 5.786 1.00 10.00 H new ATOM 0 HD13 LEU A 36 7.103 -3.899 6.878 1.00 10.00 H new ATOM 0 HD21 LEU A 36 5.273 -2.746 4.664 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.568 -2.004 6.254 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.874 -1.074 4.767 1.00 10.00 H new ATOM 601 N GLU A 37 10.511 0.289 6.435 1.00 10.00 N ATOM 602 CA GLU A 37 11.472 1.103 7.159 1.00 10.00 C ATOM 603 C GLU A 37 11.793 2.394 6.394 1.00 10.00 C ATOM 604 O GLU A 37 12.011 3.446 6.989 1.00 10.00 O ATOM 605 CB GLU A 37 12.714 0.236 7.418 1.00 10.00 C ATOM 606 CG GLU A 37 13.366 -0.325 6.140 1.00 10.00 C ATOM 607 CD GLU A 37 14.141 -1.602 6.433 1.00 10.00 C ATOM 608 OE1 GLU A 37 15.131 -1.506 7.188 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.704 -2.652 5.915 1.00 10.00 O ATOM 0 H GLU A 37 10.882 -0.622 6.167 1.00 10.00 H new ATOM 0 HA GLU A 37 11.062 1.430 8.114 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.451 0.829 7.959 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.435 -0.595 8.066 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.597 -0.526 5.394 1.00 10.00 H new ATOM 0 HG3 GLU A 37 14.037 0.421 5.713 1.00 10.00 H new ATOM 616 N GLU A 38 11.825 2.297 5.063 1.00 10.00 N ATOM 617 CA GLU A 38 12.206 3.369 4.158 1.00 10.00 C ATOM 618 C GLU A 38 11.127 4.459 4.104 1.00 10.00 C ATOM 619 O GLU A 38 11.440 5.646 4.046 1.00 10.00 O ATOM 620 CB GLU A 38 12.496 2.748 2.784 1.00 10.00 C ATOM 621 CG GLU A 38 13.555 1.637 2.909 1.00 10.00 C ATOM 622 CD GLU A 38 14.142 1.145 1.592 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.563 1.406 0.518 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.140 0.394 1.641 1.00 10.00 O ATOM 0 H GLU A 38 11.576 1.437 4.574 1.00 10.00 H new ATOM 0 HA GLU A 38 13.106 3.870 4.515 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.578 2.338 2.362 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.847 3.518 2.097 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.368 2.002 3.536 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.108 0.789 3.428 1.00 10.00 H new ATOM 631 N HIS A 39 9.856 4.053 4.115 1.00 10.00 N ATOM 632 CA HIS A 39 8.695 4.936 4.088 1.00 10.00 C ATOM 633 C HIS A 39 8.709 5.876 5.300 1.00 10.00 C ATOM 634 O HIS A 39 8.535 5.411 6.429 1.00 10.00 O ATOM 635 CB HIS A 39 7.413 4.091 4.089 1.00 10.00 C ATOM 636 CG HIS A 39 6.133 4.867 4.284 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.270 4.726 5.348 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.547 5.717 3.383 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.190 5.475 5.082 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.306 6.108 3.901 1.00 10.00 N ATOM 0 H HIS A 39 9.601 3.066 4.144 1.00 10.00 H new ATOM 0 HA HIS A 39 8.729 5.543 3.183 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.352 3.551 3.144 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.490 3.343 4.879 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.423 4.159 6.182 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.968 6.030 2.439 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.334 5.559 5.735 1.00 10.00 H new ATOM 648 N PRO A 40 8.851 7.197 5.105 1.00 10.00 N ATOM 649 CA PRO A 40 8.880 8.151 6.201 1.00 10.00 C ATOM 650 C PRO A 40 7.451 8.405 6.696 1.00 10.00 C ATOM 651 O PRO A 40 6.911 9.500 6.538 1.00 10.00 O ATOM 652 CB PRO A 40 9.544 9.397 5.606 1.00 10.00 C ATOM 653 CG PRO A 40 9.061 9.370 4.156 1.00 10.00 C ATOM 654 CD PRO A 40 9.019 7.878 3.829 1.00 10.00 C ATOM 0 HA PRO A 40 9.433 7.807 7.075 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.234 10.307 6.120 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.631 9.348 5.672 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.080 9.833 4.050 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.741 9.908 3.495 1.00 10.00 H new ATOM 0 HD2 PRO A 40 8.196 7.649 3.152 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.937 7.560 3.334 1.00 10.00 H new ATOM 662 N GLY A 41 6.824 7.385 7.287 1.00 10.00 N ATOM 663 CA GLY A 41 5.450 7.496 7.744 1.00 10.00 C ATOM 664 C GLY A 41 4.940 6.231 8.419 1.00 10.00 C ATOM 665 O GLY A 41 3.802 5.828 8.190 1.00 10.00 O ATOM 0 H GLY A 41 7.252 6.475 7.457 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.372 8.330 8.442 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.809 7.731 6.894 1.00 10.00 H new ATOM 669 N GLY A 42 5.772 5.612 9.259 1.00 10.00 N ATOM 670 CA GLY A 42 5.376 4.456 10.045 1.00 10.00 C ATOM 671 C GLY A 42 5.385 3.172 9.212 1.00 10.00 C ATOM 672 O GLY A 42 4.522 2.948 8.359 1.00 10.00 O ATOM 0 H GLY A 42 6.738 5.903 9.409 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.052 4.344 10.893 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.378 4.618 10.452 1.00 10.00 H new ATOM 676 N GLU A 43 6.337 2.294 9.519 1.00 10.00 N ATOM 677 CA GLU A 43 6.316 0.905 9.105 1.00 10.00 C ATOM 678 C GLU A 43 5.067 0.250 9.698 1.00 10.00 C ATOM 679 O GLU A 43 4.309 -0.417 8.995 1.00 10.00 O ATOM 680 CB GLU A 43 7.628 0.207 9.523 1.00 10.00 C ATOM 681 CG GLU A 43 7.878 -0.055 11.023 1.00 10.00 C ATOM 682 CD GLU A 43 7.992 1.202 11.877 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.942 1.868 12.024 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.112 1.487 12.343 1.00 10.00 O ATOM 0 H GLU A 43 7.158 2.539 10.073 1.00 10.00 H new ATOM 0 HA GLU A 43 6.261 0.815 8.020 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.672 -0.752 9.007 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.457 0.808 9.149 1.00 10.00 H new ATOM 0 HG2 GLU A 43 7.066 -0.669 11.411 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.795 -0.635 11.129 1.00 10.00 H new ATOM 691 N ALA A 44 4.833 0.495 10.991 1.00 10.00 N ATOM 692 CA ALA A 44 3.674 0.026 11.730 1.00 10.00 C ATOM 693 C ALA A 44 2.390 0.470 11.033 1.00 10.00 C ATOM 694 O ALA A 44 1.507 -0.343 10.779 1.00 10.00 O ATOM 695 CB ALA A 44 3.739 0.554 13.166 1.00 10.00 C ATOM 0 H ALA A 44 5.472 1.045 11.565 1.00 10.00 H new ATOM 0 HA ALA A 44 3.674 -1.064 11.761 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.870 0.203 13.722 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.648 0.191 13.646 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.746 1.644 13.153 1.00 10.00 H new ATOM 701 N VAL A 45 2.301 1.758 10.699 1.00 10.00 N ATOM 702 CA VAL A 45 1.168 2.336 9.987 1.00 10.00 C ATOM 703 C VAL A 45 0.959 1.613 8.651 1.00 10.00 C ATOM 704 O VAL A 45 -0.134 1.111 8.377 1.00 10.00 O ATOM 705 CB VAL A 45 1.398 3.850 9.842 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.444 4.501 8.840 1.00 10.00 C ATOM 707 CG2 VAL A 45 1.245 4.539 11.205 1.00 10.00 C ATOM 0 H VAL A 45 3.028 2.438 10.921 1.00 10.00 H new ATOM 0 HA VAL A 45 0.242 2.200 10.546 1.00 10.00 H new ATOM 0 HB VAL A 45 2.412 3.977 9.462 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.653 5.569 8.780 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.583 4.048 7.858 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.585 4.351 9.167 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.410 5.610 11.092 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.240 4.365 11.590 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.976 4.131 11.903 1.00 10.00 H new ATOM 717 N LEU A 46 2.008 1.508 7.827 1.00 10.00 N ATOM 718 CA LEU A 46 1.905 0.745 6.586 1.00 10.00 C ATOM 719 C LEU A 46 1.427 -0.687 6.847 1.00 10.00 C ATOM 720 O LEU A 46 0.619 -1.217 6.088 1.00 10.00 O ATOM 721 CB LEU A 46 3.237 0.735 5.817 1.00 10.00 C ATOM 722 CG LEU A 46 3.294 1.778 4.691 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.701 1.785 4.084 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.309 1.461 3.559 1.00 10.00 C ATOM 0 H LEU A 46 2.919 1.934 7.995 1.00 10.00 H new ATOM 0 HA LEU A 46 1.160 1.244 5.966 1.00 10.00 H new ATOM 0 HB2 LEU A 46 4.054 0.919 6.515 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.397 -0.256 5.393 1.00 10.00 H new ATOM 0 HG LEU A 46 3.033 2.741 5.129 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.748 2.524 3.284 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.429 2.038 4.855 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.928 0.798 3.681 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.385 2.226 2.786 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.548 0.487 3.131 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.293 1.445 3.954 1.00 10.00 H new ATOM 736 N ARG A 47 1.918 -1.317 7.916 1.00 10.00 N ATOM 737 CA ARG A 47 1.545 -2.677 8.266 1.00 10.00 C ATOM 738 C ARG A 47 0.051 -2.728 8.584 1.00 10.00 C ATOM 739 O ARG A 47 -0.665 -3.594 8.093 1.00 10.00 O ATOM 740 CB ARG A 47 2.392 -3.186 9.448 1.00 10.00 C ATOM 741 CG ARG A 47 3.316 -4.319 9.001 1.00 10.00 C ATOM 742 CD ARG A 47 4.377 -3.856 7.993 1.00 10.00 C ATOM 743 NE ARG A 47 4.721 -4.940 7.060 1.00 10.00 N ATOM 744 CZ ARG A 47 5.369 -6.068 7.378 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.919 -6.210 8.585 1.00 10.00 N ATOM 746 NH2 ARG A 47 5.447 -7.038 6.466 1.00 10.00 N ATOM 0 H ARG A 47 2.586 -0.893 8.560 1.00 10.00 H new ATOM 0 HA ARG A 47 1.742 -3.336 7.420 1.00 10.00 H new ATOM 0 HB2 ARG A 47 2.984 -2.367 9.857 1.00 10.00 H new ATOM 0 HB3 ARG A 47 1.738 -3.537 10.246 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.811 -4.744 9.874 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.719 -5.114 8.554 1.00 10.00 H new ATOM 0 HD2 ARG A 47 4.005 -2.996 7.436 1.00 10.00 H new ATOM 0 HD3 ARG A 47 5.271 -3.530 8.524 1.00 10.00 H new ATOM 0 HE ARG A 47 4.442 -4.822 6.086 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.847 -5.458 9.270 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.412 -7.071 8.823 1.00 10.00 H new ATOM 0 HH21 ARG A 47 5.018 -6.912 5.549 1.00 10.00 H new ATOM 0 HH22 ARG A 47 5.935 -7.906 6.685 1.00 10.00 H new ATOM 760 N ALA A 48 -0.417 -1.786 9.399 1.00 10.00 N ATOM 761 CA ALA A 48 -1.799 -1.681 9.833 1.00 10.00 C ATOM 762 C ALA A 48 -2.744 -1.558 8.636 1.00 10.00 C ATOM 763 O ALA A 48 -3.805 -2.175 8.610 1.00 10.00 O ATOM 764 CB ALA A 48 -1.912 -0.477 10.767 1.00 10.00 C ATOM 0 H ALA A 48 0.178 -1.053 9.785 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.094 -2.585 10.366 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.943 -0.376 11.108 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.258 -0.621 11.627 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.616 0.426 10.234 1.00 10.00 H new ATOM 770 N GLN A 49 -2.358 -0.754 7.643 1.00 10.00 N ATOM 771 CA GLN A 49 -3.116 -0.565 6.417 1.00 10.00 C ATOM 772 C GLN A 49 -2.912 -1.697 5.406 1.00 10.00 C ATOM 773 O GLN A 49 -3.605 -1.746 4.392 1.00 10.00 O ATOM 774 CB GLN A 49 -2.693 0.780 5.829 1.00 10.00 C ATOM 775 CG GLN A 49 -3.559 1.919 6.380 1.00 10.00 C ATOM 776 CD GLN A 49 -3.455 2.134 7.889 1.00 10.00 C ATOM 777 OE1 GLN A 49 -2.695 2.976 8.350 1.00 10.00 O ATOM 778 NE2 GLN A 49 -4.250 1.414 8.677 1.00 10.00 N ATOM 0 H GLN A 49 -1.496 -0.210 7.674 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.181 -0.578 6.648 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.645 0.969 6.063 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.776 0.748 4.743 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.280 2.844 5.876 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.600 1.719 6.127 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.875 0.718 8.271 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.234 1.558 9.687 1.00 10.00 H new ATOM 787 N ALA A 50 -1.956 -2.591 5.645 1.00 10.00 N ATOM 788 CA ALA A 50 -1.708 -3.706 4.745 1.00 10.00 C ATOM 789 C ALA A 50 -2.942 -4.603 4.607 1.00 10.00 C ATOM 790 O ALA A 50 -3.691 -4.791 5.562 1.00 10.00 O ATOM 791 CB ALA A 50 -0.517 -4.518 5.239 1.00 10.00 C ATOM 0 H ALA A 50 -1.340 -2.562 6.458 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.483 -3.299 3.759 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.338 -5.351 4.560 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.367 -3.882 5.274 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.728 -4.902 6.237 1.00 10.00 H new ATOM 797 N GLY A 51 -3.124 -5.185 3.421 1.00 10.00 N ATOM 798 CA GLY A 51 -4.141 -6.187 3.142 1.00 10.00 C ATOM 799 C GLY A 51 -5.160 -5.699 2.117 1.00 10.00 C ATOM 800 O GLY A 51 -5.665 -6.485 1.320 1.00 10.00 O ATOM 0 H GLY A 51 -2.549 -4.963 2.608 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.663 -7.095 2.774 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.655 -6.449 4.067 1.00 10.00 H new ATOM 804 N GLY A 52 -5.487 -4.407 2.118 1.00 10.00 N ATOM 805 CA GLY A 52 -6.533 -3.882 1.261 1.00 10.00 C ATOM 806 C GLY A 52 -6.954 -2.523 1.789 1.00 10.00 C ATOM 807 O GLY A 52 -6.165 -1.911 2.503 1.00 10.00 O ATOM 0 H GLY A 52 -5.036 -3.707 2.708 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -6.174 -3.795 0.236 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.385 -4.562 1.244 1.00 10.00 H new ATOM 811 N ASP A 53 -8.161 -2.079 1.410 1.00 10.00 N ATOM 812 CA ASP A 53 -8.748 -0.761 1.653 1.00 10.00 C ATOM 813 C ASP A 53 -7.897 0.162 2.529 1.00 10.00 C ATOM 814 O ASP A 53 -8.135 0.319 3.727 1.00 10.00 O ATOM 815 CB ASP A 53 -10.172 -0.879 2.207 1.00 10.00 C ATOM 816 CG ASP A 53 -10.811 0.502 2.365 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.294 1.458 1.737 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.814 0.575 3.106 1.00 10.00 O ATOM 0 H ASP A 53 -8.797 -2.680 0.886 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.784 -0.283 0.674 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.778 -1.490 1.538 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.151 -1.387 3.171 1.00 10.00 H new ATOM 823 N ALA A 54 -6.902 0.791 1.903 1.00 10.00 N ATOM 824 CA ALA A 54 -6.124 1.839 2.533 1.00 10.00 C ATOM 825 C ALA A 54 -6.241 3.113 1.712 1.00 10.00 C ATOM 826 O ALA A 54 -5.431 4.019 1.878 1.00 10.00 O ATOM 827 CB ALA A 54 -4.673 1.390 2.675 1.00 10.00 C ATOM 0 H ALA A 54 -6.619 0.583 0.945 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.507 2.042 3.533 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.092 2.181 3.149 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.629 0.490 3.288 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.260 1.178 1.689 1.00 10.00 H new ATOM 833 N THR A 55 -7.241 3.197 0.829 1.00 10.00 N ATOM 834 CA THR A 55 -7.410 4.364 -0.013 1.00 10.00 C ATOM 835 C THR A 55 -7.720 5.561 0.889 1.00 10.00 C ATOM 836 O THR A 55 -7.003 6.559 0.867 1.00 10.00 O ATOM 837 CB THR A 55 -8.485 4.079 -1.074 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.114 2.956 -1.858 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.620 5.267 -2.025 1.00 10.00 C ATOM 0 H THR A 55 -7.939 2.467 0.686 1.00 10.00 H new ATOM 0 HA THR A 55 -6.503 4.605 -0.568 1.00 10.00 H new ATOM 0 HB THR A 55 -9.424 3.894 -0.552 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.537 2.365 -1.331 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.385 5.051 -2.771 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.905 6.155 -1.460 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.667 5.444 -2.523 1.00 10.00 H new ATOM 847 N ALA A 56 -8.743 5.428 1.738 1.00 10.00 N ATOM 848 CA ALA A 56 -9.118 6.470 2.684 1.00 10.00 C ATOM 849 C ALA A 56 -7.926 6.864 3.560 1.00 10.00 C ATOM 850 O ALA A 56 -7.603 8.040 3.678 1.00 10.00 O ATOM 851 CB ALA A 56 -10.300 5.995 3.533 1.00 10.00 C ATOM 0 H ALA A 56 -9.330 4.595 1.785 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.423 7.359 2.132 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.578 6.777 4.240 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.148 5.774 2.885 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.017 5.096 4.080 1.00 10.00 H new ATOM 857 N ASN A 57 -7.266 5.874 4.167 1.00 10.00 N ATOM 858 CA ASN A 57 -6.118 6.082 5.043 1.00 10.00 C ATOM 859 C ASN A 57 -4.999 6.836 4.318 1.00 10.00 C ATOM 860 O ASN A 57 -4.473 7.820 4.833 1.00 10.00 O ATOM 861 CB ASN A 57 -5.619 4.735 5.586 1.00 10.00 C ATOM 862 CG ASN A 57 -6.578 4.138 6.613 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.620 4.586 7.753 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.354 3.122 6.240 1.00 10.00 N ATOM 0 H ASN A 57 -7.521 4.892 4.060 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.432 6.699 5.885 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.493 4.036 4.759 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.638 4.870 6.042 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.999 2.701 6.908 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.303 2.765 5.286 1.00 10.00 H new ATOM 871 N PHE A 58 -4.630 6.381 3.119 1.00 10.00 N ATOM 872 CA PHE A 58 -3.642 7.052 2.284 1.00 10.00 C ATOM 873 C PHE A 58 -4.027 8.516 2.049 1.00 10.00 C ATOM 874 O PHE A 58 -3.238 9.417 2.344 1.00 10.00 O ATOM 875 CB PHE A 58 -3.503 6.300 0.958 1.00 10.00 C ATOM 876 CG PHE A 58 -2.552 6.946 -0.028 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.167 6.754 0.104 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.049 7.760 -1.064 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.280 7.343 -0.815 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.163 8.367 -1.968 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.779 8.146 -1.855 1.00 10.00 C ATOM 0 H PHE A 58 -5.012 5.532 2.701 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.680 7.047 2.796 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.161 5.286 1.163 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.487 6.218 0.496 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.782 6.152 0.914 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.113 7.917 -1.163 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.783 7.178 -0.722 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.545 9.005 -2.751 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.100 8.593 -2.566 1.00 10.00 H new ATOM 891 N GLU A 59 -5.236 8.745 1.527 1.00 10.00 N ATOM 892 CA GLU A 59 -5.728 10.079 1.214 1.00 10.00 C ATOM 893 C GLU A 59 -5.773 10.959 2.464 1.00 10.00 C ATOM 894 O GLU A 59 -5.459 12.144 2.400 1.00 10.00 O ATOM 895 CB GLU A 59 -7.112 9.982 0.563 1.00 10.00 C ATOM 896 CG GLU A 59 -7.069 9.326 -0.824 1.00 10.00 C ATOM 897 CD GLU A 59 -6.461 10.246 -1.877 1.00 10.00 C ATOM 898 OE1 GLU A 59 -5.222 10.202 -2.032 1.00 10.00 O ATOM 899 OE2 GLU A 59 -7.257 10.978 -2.505 1.00 10.00 O ATOM 0 H GLU A 59 -5.900 8.002 1.311 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.039 10.547 0.510 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.775 9.409 1.211 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.538 10.981 0.475 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.489 8.405 -0.771 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.080 9.050 -1.125 1.00 10.00 H new ATOM 906 N ALA A 60 -6.143 10.388 3.613 1.00 10.00 N ATOM 907 CA ALA A 60 -6.210 11.096 4.884 1.00 10.00 C ATOM 908 C ALA A 60 -4.874 11.762 5.236 1.00 10.00 C ATOM 909 O ALA A 60 -4.859 12.836 5.832 1.00 10.00 O ATOM 910 CB ALA A 60 -6.667 10.134 5.987 1.00 10.00 C ATOM 0 H ALA A 60 -6.408 9.405 3.682 1.00 10.00 H new ATOM 0 HA ALA A 60 -6.942 11.899 4.794 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.716 10.666 6.937 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.653 9.740 5.741 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -5.957 9.311 6.069 1.00 10.00 H new ATOM 916 N VAL A 61 -3.753 11.138 4.861 1.00 10.00 N ATOM 917 CA VAL A 61 -2.415 11.685 5.076 1.00 10.00 C ATOM 918 C VAL A 61 -2.073 12.772 4.040 1.00 10.00 C ATOM 919 O VAL A 61 -1.081 13.484 4.183 1.00 10.00 O ATOM 920 CB VAL A 61 -1.411 10.518 5.065 1.00 10.00 C ATOM 921 CG1 VAL A 61 0.052 10.976 5.078 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.653 9.594 6.266 1.00 10.00 C ATOM 0 H VAL A 61 -3.752 10.230 4.395 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.367 12.184 6.044 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.580 9.985 4.129 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.706 10.104 5.069 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.250 11.587 4.197 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.242 11.563 5.977 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.935 8.774 6.244 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.531 10.159 7.190 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.665 9.192 6.218 1.00 10.00 H new ATOM 932 N GLY A 62 -2.867 12.915 2.979 1.00 10.00 N ATOM 933 CA GLY A 62 -2.617 13.872 1.916 1.00 10.00 C ATOM 934 C GLY A 62 -1.724 13.238 0.857 1.00 10.00 C ATOM 935 O GLY A 62 -2.191 12.981 -0.247 1.00 10.00 O ATOM 0 H GLY A 62 -3.711 12.360 2.837 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.559 14.189 1.469 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.140 14.765 2.321 1.00 10.00 H new ATOM 939 N HIS A 63 -0.460 12.979 1.215 1.00 10.00 N ATOM 940 CA HIS A 63 0.570 12.423 0.338 1.00 10.00 C ATOM 941 C HIS A 63 0.881 13.339 -0.857 1.00 10.00 C ATOM 942 O HIS A 63 0.080 13.508 -1.773 1.00 10.00 O ATOM 943 CB HIS A 63 0.234 10.985 -0.086 1.00 10.00 C ATOM 944 CG HIS A 63 0.502 9.980 1.005 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.425 9.400 1.839 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.722 9.432 1.295 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.237 8.516 2.611 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.551 8.489 2.311 1.00 10.00 N ATOM 0 H HIS A 63 -0.117 13.159 2.159 1.00 10.00 H new ATOM 0 HA HIS A 63 1.491 12.372 0.918 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.816 10.931 -0.374 1.00 10.00 H new ATOM 0 HB3 HIS A 63 0.820 10.724 -0.967 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.425 9.601 1.868 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.658 9.686 0.819 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.226 7.907 3.373 1.00 10.00 H new ATOM 956 N SER A 64 2.074 13.937 -0.847 1.00 10.00 N ATOM 957 CA SER A 64 2.519 14.900 -1.843 1.00 10.00 C ATOM 958 C SER A 64 2.539 14.312 -3.257 1.00 10.00 C ATOM 959 O SER A 64 2.498 13.096 -3.448 1.00 10.00 O ATOM 960 CB SER A 64 3.908 15.417 -1.445 1.00 10.00 C ATOM 961 OG SER A 64 3.865 15.920 -0.124 1.00 10.00 O ATOM 0 H SER A 64 2.772 13.757 -0.125 1.00 10.00 H new ATOM 0 HA SER A 64 1.807 15.725 -1.867 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.641 14.613 -1.515 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.227 16.200 -2.133 1.00 10.00 H new ATOM 0 HG SER A 64 3.749 15.178 0.505 1.00 10.00 H new ATOM 967 N THR A 65 2.658 15.188 -4.259 1.00 10.00 N ATOM 968 CA THR A 65 2.857 14.836 -5.655 1.00 10.00 C ATOM 969 C THR A 65 3.887 13.722 -5.775 1.00 10.00 C ATOM 970 O THR A 65 3.611 12.622 -6.238 1.00 10.00 O ATOM 971 CB THR A 65 3.335 16.108 -6.381 1.00 10.00 C ATOM 972 OG1 THR A 65 4.095 16.923 -5.495 1.00 10.00 O ATOM 973 CG2 THR A 65 2.122 16.932 -6.822 1.00 10.00 C ATOM 0 H THR A 65 2.616 16.196 -4.108 1.00 10.00 H new ATOM 0 HA THR A 65 1.932 14.471 -6.101 1.00 10.00 H new ATOM 0 HB THR A 65 3.939 15.805 -7.237 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.049 16.731 -5.611 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.461 17.832 -7.336 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.505 16.339 -7.497 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.535 17.213 -5.947 1.00 10.00 H new ATOM 981 N ASP A 66 5.077 14.018 -5.291 1.00 10.00 N ATOM 982 CA ASP A 66 6.230 13.170 -5.257 1.00 10.00 C ATOM 983 C ASP A 66 5.863 11.796 -4.715 1.00 10.00 C ATOM 984 O ASP A 66 6.208 10.793 -5.321 1.00 10.00 O ATOM 985 CB ASP A 66 7.234 13.905 -4.368 1.00 10.00 C ATOM 986 CG ASP A 66 7.568 15.296 -4.913 1.00 10.00 C ATOM 987 OD1 ASP A 66 6.605 16.100 -5.008 1.00 10.00 O ATOM 988 OD2 ASP A 66 8.750 15.517 -5.242 1.00 10.00 O ATOM 0 H ASP A 66 5.267 14.933 -4.881 1.00 10.00 H new ATOM 0 HA ASP A 66 6.652 12.986 -6.245 1.00 10.00 H new ATOM 0 HB2 ASP A 66 6.827 13.998 -3.361 1.00 10.00 H new ATOM 0 HB3 ASP A 66 8.148 13.317 -4.290 1.00 10.00 H new ATOM 993 N ALA A 67 5.118 11.741 -3.614 1.00 10.00 N ATOM 994 CA ALA A 67 4.592 10.496 -3.065 1.00 10.00 C ATOM 995 C ALA A 67 3.650 9.769 -4.038 1.00 10.00 C ATOM 996 O ALA A 67 3.808 8.566 -4.251 1.00 10.00 O ATOM 997 CB ALA A 67 3.909 10.743 -1.718 1.00 10.00 C ATOM 0 H ALA A 67 4.861 12.567 -3.074 1.00 10.00 H new ATOM 0 HA ALA A 67 5.444 9.835 -2.907 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.524 9.801 -1.327 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.630 11.160 -1.015 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.085 11.444 -1.851 1.00 10.00 H new ATOM 1003 N ARG A 68 2.666 10.468 -4.620 1.00 10.00 N ATOM 1004 CA ARG A 68 1.672 9.859 -5.510 1.00 10.00 C ATOM 1005 C ARG A 68 2.230 9.547 -6.904 1.00 10.00 C ATOM 1006 O ARG A 68 1.591 8.894 -7.739 1.00 10.00 O ATOM 1007 CB ARG A 68 0.389 10.696 -5.540 1.00 10.00 C ATOM 1008 CG ARG A 68 0.468 12.132 -6.042 1.00 10.00 C ATOM 1009 CD ARG A 68 0.463 12.296 -7.566 1.00 10.00 C ATOM 1010 NE ARG A 68 -0.891 12.568 -8.070 1.00 10.00 N ATOM 1011 CZ ARG A 68 -1.161 13.112 -9.268 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -0.207 13.207 -10.198 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -2.394 13.563 -9.529 1.00 10.00 N ATOM 0 H ARG A 68 2.538 11.471 -4.486 1.00 10.00 H new ATOM 0 HA ARG A 68 1.410 8.885 -5.097 1.00 10.00 H new ATOM 0 HB2 ARG A 68 -0.336 10.168 -6.159 1.00 10.00 H new ATOM 0 HB3 ARG A 68 -0.014 10.721 -4.528 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.373 12.690 -5.631 1.00 10.00 H new ATOM 0 HG3 ARG A 68 1.376 12.588 -5.647 1.00 10.00 H new ATOM 0 HD2 ARG A 68 1.129 13.111 -7.848 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.852 11.391 -8.033 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.679 12.327 -7.469 1.00 10.00 H new ATOM 0 HH11 ARG A 68 0.734 12.865 -10.001 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -0.419 13.621 -11.106 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.124 13.493 -8.820 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -2.604 13.977 -10.437 1.00 10.00 H new ATOM 1027 N GLU A 69 3.426 10.048 -7.180 1.00 10.00 N ATOM 1028 CA GLU A 69 4.259 9.611 -8.272 1.00 10.00 C ATOM 1029 C GLU A 69 5.071 8.384 -7.851 1.00 10.00 C ATOM 1030 O GLU A 69 4.975 7.339 -8.490 1.00 10.00 O ATOM 1031 CB GLU A 69 5.067 10.815 -8.749 1.00 10.00 C ATOM 1032 CG GLU A 69 4.171 11.918 -9.357 1.00 10.00 C ATOM 1033 CD GLU A 69 3.167 11.406 -10.377 1.00 10.00 C ATOM 1034 OE1 GLU A 69 3.541 10.533 -11.189 1.00 10.00 O ATOM 1035 OE2 GLU A 69 1.957 11.700 -10.235 1.00 10.00 O ATOM 0 H GLU A 69 3.849 10.793 -6.627 1.00 10.00 H new ATOM 0 HA GLU A 69 3.684 9.265 -9.131 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.629 11.227 -7.911 1.00 10.00 H new ATOM 0 HB3 GLU A 69 5.795 10.490 -9.493 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.633 12.419 -8.552 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.805 12.667 -9.831 1.00 10.00 H new ATOM 1042 N LEU A 70 5.807 8.492 -6.747 1.00 10.00 N ATOM 1043 CA LEU A 70 6.635 7.453 -6.150 1.00 10.00 C ATOM 1044 C LEU A 70 5.889 6.123 -6.103 1.00 10.00 C ATOM 1045 O LEU A 70 6.331 5.122 -6.658 1.00 10.00 O ATOM 1046 CB LEU A 70 7.125 7.955 -4.780 1.00 10.00 C ATOM 1047 CG LEU A 70 7.971 7.036 -3.899 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.853 6.179 -4.773 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.810 7.862 -2.918 1.00 10.00 C ATOM 0 H LEU A 70 5.841 9.361 -6.215 1.00 10.00 H new ATOM 0 HA LEU A 70 7.516 7.253 -6.759 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.702 8.864 -4.953 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.245 8.241 -4.203 1.00 10.00 H new ATOM 0 HG LEU A 70 7.316 6.389 -3.316 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.458 5.523 -4.147 1.00 10.00 H new ATOM 0 HD12 LEU A 70 8.233 5.577 -5.437 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.507 6.817 -5.367 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.407 7.194 -2.297 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.470 8.527 -3.474 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.150 8.454 -2.283 1.00 10.00 H new ATOM 1061 N SER A 71 4.724 6.137 -5.473 1.00 10.00 N ATOM 1062 CA SER A 71 3.737 5.064 -5.482 1.00 10.00 C ATOM 1063 C SER A 71 3.743 4.247 -6.780 1.00 10.00 C ATOM 1064 O SER A 71 3.777 3.021 -6.727 1.00 10.00 O ATOM 1065 CB SER A 71 2.358 5.664 -5.201 1.00 10.00 C ATOM 1066 OG SER A 71 1.998 6.596 -6.196 1.00 10.00 O ATOM 0 H SER A 71 4.425 6.936 -4.914 1.00 10.00 H new ATOM 0 HA SER A 71 4.000 4.353 -4.699 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.614 4.869 -5.157 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.362 6.151 -4.226 1.00 10.00 H new ATOM 0 HG SER A 71 1.056 6.844 -6.086 1.00 10.00 H new ATOM 1072 N LYS A 72 3.722 4.897 -7.948 1.00 10.00 N ATOM 1073 CA LYS A 72 3.661 4.201 -9.228 1.00 10.00 C ATOM 1074 C LYS A 72 4.826 3.213 -9.396 1.00 10.00 C ATOM 1075 O LYS A 72 4.644 2.119 -9.919 1.00 10.00 O ATOM 1076 CB LYS A 72 3.569 5.190 -10.396 1.00 10.00 C ATOM 1077 CG LYS A 72 2.369 6.135 -10.227 1.00 10.00 C ATOM 1078 CD LYS A 72 2.125 6.921 -11.522 1.00 10.00 C ATOM 1079 CE LYS A 72 1.039 7.993 -11.353 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.495 9.069 -10.456 1.00 10.00 N ATOM 0 H LYS A 72 3.747 5.914 -8.028 1.00 10.00 H new ATOM 0 HA LYS A 72 2.746 3.608 -9.236 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.489 5.772 -10.457 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.475 4.642 -11.334 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.479 5.561 -9.968 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.554 6.825 -9.404 1.00 10.00 H new ATOM 0 HD2 LYS A 72 3.054 7.394 -11.838 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.833 6.232 -12.314 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.781 8.411 -12.326 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.134 7.538 -10.951 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 0.930 9.926 -10.626 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 1.379 8.769 -9.467 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 2.498 9.273 -10.641 1.00 10.00 H new ATOM 1094 N THR A 73 6.009 3.553 -8.889 1.00 10.00 N ATOM 1095 CA THR A 73 7.193 2.702 -8.898 1.00 10.00 C ATOM 1096 C THR A 73 6.990 1.416 -8.085 1.00 10.00 C ATOM 1097 O THR A 73 7.729 0.452 -8.268 1.00 10.00 O ATOM 1098 CB THR A 73 8.381 3.525 -8.371 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.368 4.804 -8.979 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.738 2.872 -8.648 1.00 10.00 C ATOM 0 H THR A 73 6.173 4.457 -8.447 1.00 10.00 H new ATOM 0 HA THR A 73 7.393 2.376 -9.919 1.00 10.00 H new ATOM 0 HB THR A 73 8.262 3.591 -7.290 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.122 5.333 -8.645 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.533 3.503 -8.251 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.776 1.894 -8.167 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.872 2.753 -9.723 1.00 10.00 H new ATOM 1108 N PHE A 74 5.987 1.393 -7.204 1.00 10.00 N ATOM 1109 CA PHE A 74 5.632 0.260 -6.366 1.00 10.00 C ATOM 1110 C PHE A 74 4.326 -0.363 -6.840 1.00 10.00 C ATOM 1111 O PHE A 74 3.829 -1.294 -6.202 1.00 10.00 O ATOM 1112 CB PHE A 74 5.480 0.739 -4.921 1.00 10.00 C ATOM 1113 CG PHE A 74 6.779 1.194 -4.301 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.754 0.234 -3.972 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.002 2.554 -4.017 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.950 0.631 -3.357 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.173 2.941 -3.347 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.154 1.983 -3.043 1.00 10.00 C ATOM 0 H PHE A 74 5.380 2.199 -7.054 1.00 10.00 H new ATOM 0 HA PHE A 74 6.417 -0.493 -6.428 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.764 1.561 -4.892 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.062 -0.069 -4.320 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.581 -0.809 -4.193 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.276 3.296 -4.313 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.710 -0.100 -3.126 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.319 3.973 -3.066 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.072 2.289 -2.564 1.00 10.00 H new ATOM 1128 N ILE A 75 3.746 0.156 -7.928 1.00 10.00 N ATOM 1129 CA ILE A 75 2.525 -0.408 -8.465 1.00 10.00 C ATOM 1130 C ILE A 75 2.867 -1.789 -9.027 1.00 10.00 C ATOM 1131 O ILE A 75 3.782 -1.929 -9.837 1.00 10.00 O ATOM 1132 CB ILE A 75 1.885 0.565 -9.476 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.366 0.667 -9.300 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.253 0.287 -10.940 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.365 -0.577 -9.766 1.00 10.00 C ATOM 0 H ILE A 75 4.107 0.959 -8.443 1.00 10.00 H new ATOM 0 HA ILE A 75 1.761 -0.546 -7.700 1.00 10.00 H new ATOM 0 HB ILE A 75 2.322 1.534 -9.237 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.138 0.845 -8.249 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.002 1.529 -9.856 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.761 1.016 -11.584 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.333 0.363 -11.064 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.926 -0.716 -11.213 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.437 -0.447 -9.617 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.163 -0.743 -10.824 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.021 -1.438 -9.192 1.00 10.00 H new ATOM 1147 N ILE A 76 2.153 -2.814 -8.569 1.00 10.00 N ATOM 1148 CA ILE A 76 2.386 -4.196 -8.983 1.00 10.00 C ATOM 1149 C ILE A 76 1.282 -4.682 -9.921 1.00 10.00 C ATOM 1150 O ILE A 76 1.461 -5.662 -10.646 1.00 10.00 O ATOM 1151 CB ILE A 76 2.515 -5.099 -7.751 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.369 -4.841 -6.760 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.885 -4.884 -7.091 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.212 -6.005 -5.796 1.00 10.00 C ATOM 0 H ILE A 76 1.393 -2.709 -7.897 1.00 10.00 H new ATOM 0 HA ILE A 76 3.323 -4.241 -9.539 1.00 10.00 H new ATOM 0 HB ILE A 76 2.443 -6.140 -8.065 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.565 -3.926 -6.202 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.438 -4.688 -7.306 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.972 -5.528 -6.216 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.674 -5.129 -7.802 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.982 -3.842 -6.786 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.395 -5.798 -5.105 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.992 -6.914 -6.356 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.136 -6.139 -5.234 1.00 10.00 H new ATOM 1166 N GLY A 77 0.124 -4.027 -9.875 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.042 -4.362 -10.651 1.00 10.00 C ATOM 1168 C GLY A 77 -2.245 -3.731 -9.981 1.00 10.00 C ATOM 1169 O GLY A 77 -2.106 -2.892 -9.093 1.00 10.00 O ATOM 0 H GLY A 77 -0.021 -3.219 -9.269 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.939 -3.996 -11.672 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.162 -5.444 -10.711 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.423 -4.129 -10.431 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.672 -3.474 -10.134 1.00 10.00 C ATOM 1175 C GLU A 78 -5.629 -4.457 -9.473 1.00 10.00 C ATOM 1176 O GLU A 78 -5.442 -5.673 -9.502 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.237 -2.897 -11.433 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.461 -1.655 -11.889 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.050 -1.035 -13.152 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.114 -1.520 -13.597 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -4.433 -0.059 -13.631 1.00 10.00 O ATOM 0 H GLU A 78 -3.533 -4.945 -11.033 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.523 -2.655 -9.430 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.200 -3.656 -12.214 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.286 -2.638 -11.290 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.462 -0.915 -11.089 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.421 -1.926 -12.071 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.658 -3.908 -8.845 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.677 -4.693 -8.194 1.00 10.00 C ATOM 1190 C LEU A 79 -8.464 -5.466 -9.249 1.00 10.00 C ATOM 1191 O LEU A 79 -8.877 -4.898 -10.263 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.581 -3.736 -7.430 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.748 -4.457 -6.757 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.280 -5.425 -5.667 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.640 -3.386 -6.156 1.00 10.00 C ATOM 0 H LEU A 79 -6.803 -2.901 -8.777 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.242 -5.414 -7.502 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.996 -3.212 -6.675 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.969 -2.981 -8.114 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.280 -5.059 -7.494 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.145 -5.913 -5.218 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.625 -6.178 -6.106 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.736 -4.874 -4.900 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.491 -3.856 -5.662 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.073 -2.806 -5.428 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.998 -2.725 -6.946 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.700 -6.752 -9.002 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.480 -7.598 -9.889 1.00 10.00 C ATOM 1209 C HIS A 80 -10.856 -6.980 -10.140 1.00 10.00 C ATOM 1210 O HIS A 80 -11.523 -6.559 -9.195 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.604 -9.003 -9.291 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.852 -10.077 -10.314 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.068 -10.621 -10.642 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.901 -10.701 -11.077 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.860 -11.537 -11.599 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.554 -11.618 -11.904 1.00 10.00 N ATOM 0 H HIS A 80 -8.351 -7.236 -8.174 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.970 -7.678 -10.849 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.690 -9.238 -8.745 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.418 -9.009 -8.566 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.837 -10.517 -11.045 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.636 -12.129 -12.061 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.125 -12.227 -12.600 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.318 -6.932 -11.397 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.613 -6.364 -11.728 1.00 10.00 C ATOM 1226 C PRO A 81 -13.786 -7.138 -11.111 1.00 10.00 C ATOM 1227 O PRO A 81 -14.911 -6.658 -11.179 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.671 -6.341 -13.257 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.720 -7.466 -13.665 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.640 -7.406 -12.593 1.00 10.00 C ATOM 0 HA PRO A 81 -12.715 -5.363 -11.308 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.682 -6.517 -13.623 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.350 -5.379 -13.657 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.222 -8.434 -13.679 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.309 -7.306 -14.662 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.192 -8.386 -12.430 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.834 -6.732 -12.883 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.540 -8.309 -10.506 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.577 -9.063 -9.803 1.00 10.00 C ATOM 1240 C ASP A 82 -14.997 -8.346 -8.514 1.00 10.00 C ATOM 1241 O ASP A 82 -16.165 -8.363 -8.140 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.067 -10.475 -9.499 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.141 -11.330 -8.844 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.061 -11.740 -9.583 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.984 -11.599 -7.635 1.00 10.00 O ATOM 0 H ASP A 82 -12.622 -8.754 -10.492 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.457 -9.133 -10.442 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.737 -10.950 -10.423 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.199 -10.415 -8.843 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.030 -7.709 -7.842 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.269 -6.986 -6.596 1.00 10.00 C ATOM 1252 C ASP A 83 -15.127 -5.735 -6.846 1.00 10.00 C ATOM 1253 O ASP A 83 -16.023 -5.420 -6.065 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.908 -6.643 -5.979 1.00 10.00 C ATOM 1255 CG ASP A 83 -13.023 -5.872 -4.671 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.475 -4.710 -4.710 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.581 -6.444 -3.655 1.00 10.00 O ATOM 0 H ASP A 83 -13.058 -7.683 -8.152 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.831 -7.604 -5.896 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.353 -7.564 -5.803 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.331 -6.054 -6.692 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.805 -5.042 -7.943 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.263 -3.700 -8.288 1.00 10.00 C ATOM 1264 C ARG A 84 -16.781 -3.502 -8.222 1.00 10.00 C ATOM 1265 O ARG A 84 -17.184 -2.437 -7.701 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.756 -3.343 -9.698 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.154 -1.937 -9.762 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.747 -1.905 -9.147 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.751 -2.668 -9.927 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.100 -2.195 -11.003 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.467 -1.024 -11.533 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.089 -2.880 -11.546 1.00 10.00 N ATOM 0 H ARG A 84 -14.182 -5.428 -8.652 1.00 10.00 H new ATOM 0 HA ARG A 84 -14.849 -3.035 -7.530 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.006 -4.071 -10.007 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.581 -3.415 -10.407 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.108 -1.606 -10.799 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.801 -1.237 -9.233 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.418 -0.869 -9.064 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.791 -2.307 -8.135 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.543 -3.621 -9.628 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.236 -0.496 -11.121 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.978 -0.658 -12.350 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.804 -3.773 -11.144 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.603 -2.510 -12.363 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.986 7.323 3.050 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.421 10.103 4.602 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.075 7.789 0.307 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.409 4.682 1.431 1.00 10.00 C HETATM 1291 CHD HEM A 201 1.029 6.778 5.885 1.00 10.00 C HETATM 1292 NA HEM A 201 4.476 8.692 2.546 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.869 9.747 3.323 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.856 10.490 2.572 1.00 10.00 C HETATM 1295 C3A HEM A 201 6.094 9.799 1.403 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.182 8.681 1.374 1.00 10.00 C HETATM 1297 CMA HEM A 201 7.106 10.136 0.331 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.446 11.826 2.971 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.465 12.997 2.816 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.017 13.230 1.376 1.00 10.00 C HETATM 1301 O1A HEM A 201 3.830 13.582 1.203 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.862 13.098 0.466 1.00 10.00 O HETATM 1303 NB HEM A 201 3.204 6.410 1.222 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.128 6.768 0.260 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.967 5.873 -0.861 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.897 5.071 -0.553 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.442 5.361 0.781 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.858 5.786 -2.078 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.275 4.046 -1.470 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.390 4.389 -2.422 1.00 10.00 C HETATM 1311 NC HEM A 201 1.502 5.957 3.570 1.00 10.00 N HETATM 1312 C1C HEM A 201 1.003 4.978 2.736 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.058 4.300 3.451 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.121 4.887 4.688 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.850 5.944 4.776 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.957 3.191 2.962 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.152 4.560 5.741 1.00 10.00 C HETATM 1318 CBC HEM A 201 -2.018 5.513 6.152 1.00 10.00 C HETATM 1319 ND HEM A 201 2.765 8.273 4.917 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.929 7.846 5.909 1.00 10.00 C HETATM 1321 C2D HEM A 201 2.133 8.711 7.046 1.00 10.00 C HETATM 1322 C3D HEM A 201 3.065 9.658 6.686 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.465 9.377 5.322 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.474 8.572 8.398 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.643 10.697 7.620 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.713 11.864 7.906 1.00 10.00 C HETATM 1327 CGD HEM A 201 3.072 12.530 9.227 1.00 10.00 C HETATM 1328 O1D HEM A 201 2.726 11.929 10.268 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.701 13.607 9.174 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.433 9.220 -0.161 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 7.965 10.631 0.784 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 6.650 10.800 -0.404 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 4.851 4.766 -2.462 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 5.876 6.063 -1.804 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 4.491 6.466 -2.847 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.249 2.562 3.803 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.425 2.589 2.226 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.848 3.620 2.504 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.490 8.118 8.278 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.366 9.557 8.853 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 2.089 7.941 9.039 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 0.960 3.623 -3.067 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.103 5.433 -2.548 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.764 5.280 6.912 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -1.971 6.514 5.723 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 5.934 13.906 3.194 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.588 12.810 3.435 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 7.330 12.020 2.364 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.776 11.774 4.008 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.681 11.513 7.939 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.777 12.592 7.097 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.568 11.081 7.190 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.905 10.216 8.563 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.837 10.989 5.059 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.759 7.895 -0.522 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.900 3.891 0.901 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.440 6.586 6.770 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.551 2.998 -1.357 1.00 10.00 H new HETATM 0 HAC HEM A 201 -1.198 3.558 6.169 1.00 10.00 H new