USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=23 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 61 HIS : no HE2:sc= 1.1 K(o=1,f=-4.3!) USER MOD Set 1.2: A 201 HEM CMD :methyl -30:sc= -0.106 (180deg=-0.543) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.562 K(o=-0.18,f=-3.4) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.745! C(o=-0.18!,f=-3.4!) USER MOD Set 3.1: A 20 SER OG : rot -69:sc= 0.825 USER MOD Set 3.2: A 33 THR OG1 : rot 93:sc= 2.45 USER MOD Set 4.1: A 5 LYS NZ :NH3+ 178:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 7 TYR OH : rot 30:sc= 1.12 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 13 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= 1.16 (180deg=1.05) USER MOD Single : A 15 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-3.5!) USER MOD Single : A 16 ASN : amide:sc= 0.8 K(o=0.8,f=-2.1!) USER MOD Single : A 17 ASN : amide:sc= -0.34 K(o=-0.34,f=-5.3!) 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 -100:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.64) USER MOD Single : A 27 TYR OH : rot 172:sc= 0.853 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.19) USER MOD Single : A 30 TYR OH : rot 26:sc= 1.05 USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 1 (180deg=0.776) USER MOD Single : A 55 THR OG1 : rot 74:sc= 1.81 USER MOD Single : A 64 SER OG : rot 67:sc= 1.06 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -64:sc= 1.28 USER MOD Single : A 72 LYS NZ :NH3+ -133:sc= 0.687 (180deg=-3.57!) USER MOD Single : A 73 THR OG1 : rot -29:sc= 0.179 USER MOD Single : A 80 HIS : no HD1:sc= -0.714 K(o=-0.71,f=-1.6) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.288 (180deg=-0.618) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -1.97 (180deg=-2.36!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -2.03 (180deg=-2.03) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -3.333 20.241 1.029 1.00 10.00 N ATOM 2 CA ALA A 3 -4.128 19.613 2.097 1.00 10.00 C ATOM 3 C ALA A 3 -3.993 18.108 1.903 1.00 10.00 C ATOM 4 O ALA A 3 -3.037 17.711 1.239 1.00 10.00 O ATOM 5 CB ALA A 3 -5.582 20.101 2.057 1.00 10.00 C ATOM 0 HA ALA A 3 -3.768 19.887 3.089 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -6.149 19.622 2.856 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -5.607 21.182 2.192 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -6.025 19.845 1.095 1.00 10.00 H new ATOM 13 N VAL A 4 -4.931 17.302 2.408 1.00 10.00 N ATOM 14 CA VAL A 4 -5.085 15.924 1.962 1.00 10.00 C ATOM 15 C VAL A 4 -5.481 15.905 0.478 1.00 10.00 C ATOM 16 O VAL A 4 -5.642 16.962 -0.136 1.00 10.00 O ATOM 17 CB VAL A 4 -6.122 15.200 2.840 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.647 15.089 4.292 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.529 15.798 2.770 1.00 10.00 C ATOM 0 H VAL A 4 -5.595 17.586 3.128 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.139 15.393 2.065 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.204 14.198 2.418 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.403 14.573 4.884 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.713 14.528 4.327 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.486 16.087 4.700 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.198 15.230 3.417 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.500 16.836 3.100 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -7.893 15.754 1.743 1.00 10.00 H new ATOM 29 N LYS A 5 -5.668 14.716 -0.097 1.00 10.00 N ATOM 30 CA LYS A 5 -6.263 14.568 -1.418 1.00 10.00 C ATOM 31 C LYS A 5 -7.665 14.035 -1.195 1.00 10.00 C ATOM 32 O LYS A 5 -8.649 14.563 -1.705 1.00 10.00 O ATOM 33 CB LYS A 5 -5.427 13.588 -2.245 1.00 10.00 C ATOM 34 CG LYS A 5 -4.219 14.297 -2.868 1.00 10.00 C ATOM 35 CD LYS A 5 -3.131 13.253 -3.130 1.00 10.00 C ATOM 36 CE LYS A 5 -2.101 13.647 -4.194 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.651 13.558 -5.562 1.00 10.00 N ATOM 0 H LYS A 5 -5.410 13.832 0.342 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.295 15.512 -1.963 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.087 12.768 -1.612 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.043 13.150 -3.031 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.505 14.789 -3.798 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.847 15.073 -2.199 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -2.608 13.053 -2.195 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -3.608 12.321 -3.434 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.759 14.665 -4.007 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.229 12.998 -4.112 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.931 13.866 -6.246 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.923 12.575 -5.764 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -3.487 14.171 -5.640 1.00 10.00 H new ATOM 51 N TYR A 6 -7.695 12.954 -0.425 1.00 10.00 N ATOM 52 CA TYR A 6 -8.575 11.845 -0.598 1.00 10.00 C ATOM 53 C TYR A 6 -8.659 11.353 -2.040 1.00 10.00 C ATOM 54 O TYR A 6 -8.633 12.088 -3.024 1.00 10.00 O ATOM 55 CB TYR A 6 -9.930 12.045 0.048 1.00 10.00 C ATOM 56 CG TYR A 6 -9.991 11.927 1.551 1.00 10.00 C ATOM 57 CD1 TYR A 6 -10.118 10.645 2.101 1.00 10.00 C ATOM 58 CD2 TYR A 6 -9.859 13.038 2.398 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.005 10.444 3.479 1.00 10.00 C ATOM 60 CE2 TYR A 6 -9.784 12.844 3.792 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.821 11.544 4.329 1.00 10.00 C ATOM 62 OH TYR A 6 -9.620 11.341 5.663 1.00 10.00 O ATOM 0 H TYR A 6 -7.068 12.839 0.371 1.00 10.00 H new ATOM 0 HA TYR A 6 -8.112 11.028 -0.045 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.297 13.033 -0.230 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.620 11.317 -0.378 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.305 9.802 1.452 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -9.815 14.035 1.985 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.059 9.446 3.888 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -9.698 13.696 4.450 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.509 12.205 6.112 1.00 10.00 H new ATOM 72 N TYR A 7 -8.703 10.036 -2.113 1.00 10.00 N ATOM 73 CA TYR A 7 -8.553 9.219 -3.276 1.00 10.00 C ATOM 74 C TYR A 7 -9.651 8.165 -3.228 1.00 10.00 C ATOM 75 O TYR A 7 -9.943 7.577 -2.186 1.00 10.00 O ATOM 76 CB TYR A 7 -7.159 8.594 -3.188 1.00 10.00 C ATOM 77 CG TYR A 7 -6.186 8.918 -4.311 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.637 9.398 -5.556 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.831 9.075 -3.977 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.804 10.210 -6.341 1.00 10.00 C ATOM 81 CE2 TYR A 7 -4.007 9.921 -4.734 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.492 10.479 -5.926 1.00 10.00 C ATOM 83 OH TYR A 7 -3.712 11.335 -6.651 1.00 10.00 O ATOM 0 H TYR A 7 -8.859 9.472 -1.278 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.641 9.768 -4.213 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.706 8.906 -2.247 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.275 7.511 -3.142 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.625 9.141 -5.907 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.421 8.541 -3.132 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -6.174 10.628 -7.266 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -3.004 10.142 -4.401 1.00 10.00 H new ATOM 0 HH TYR A 7 -4.279 12.004 -7.088 1.00 10.00 H new ATOM 93 N THR A 8 -10.312 7.991 -4.358 1.00 10.00 N ATOM 94 CA THR A 8 -11.536 7.224 -4.441 1.00 10.00 C ATOM 95 C THR A 8 -11.186 5.747 -4.604 1.00 10.00 C ATOM 96 O THR A 8 -10.195 5.421 -5.253 1.00 10.00 O ATOM 97 CB THR A 8 -12.357 7.769 -5.614 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.535 7.823 -6.760 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.838 9.189 -5.289 1.00 10.00 C ATOM 0 H THR A 8 -10.010 8.382 -5.250 1.00 10.00 H new ATOM 0 HA THR A 8 -12.135 7.315 -3.535 1.00 10.00 H new ATOM 0 HB THR A 8 -13.215 7.121 -5.791 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.052 8.169 -7.517 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.422 9.575 -6.124 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.458 9.167 -4.393 1.00 10.00 H new ATOM 0 HG23 THR A 8 -11.977 9.835 -5.119 1.00 10.00 H new ATOM 107 N LEU A 9 -11.987 4.835 -4.047 1.00 10.00 N ATOM 108 CA LEU A 9 -11.775 3.405 -4.251 1.00 10.00 C ATOM 109 C LEU A 9 -11.669 3.069 -5.739 1.00 10.00 C ATOM 110 O LEU A 9 -10.840 2.246 -6.115 1.00 10.00 O ATOM 111 CB LEU A 9 -12.811 2.601 -3.462 1.00 10.00 C ATOM 112 CG LEU A 9 -12.957 1.121 -3.866 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.410 0.293 -2.658 1.00 10.00 C ATOM 114 CD2 LEU A 9 -13.983 0.919 -4.990 1.00 10.00 C ATOM 0 H LEU A 9 -12.785 5.063 -3.454 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.810 3.104 -3.843 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.550 2.646 -2.405 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.781 3.086 -3.572 1.00 10.00 H new ATOM 0 HG LEU A 9 -11.980 0.796 -4.224 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.511 -0.752 -2.951 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.671 0.377 -1.862 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.371 0.665 -2.302 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.048 -0.141 -5.237 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -14.959 1.275 -4.660 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.672 1.479 -5.872 1.00 10.00 H new ATOM 126 N GLU A 10 -12.432 3.768 -6.586 1.00 10.00 N ATOM 127 CA GLU A 10 -12.274 3.746 -8.036 1.00 10.00 C ATOM 128 C GLU A 10 -10.791 3.795 -8.421 1.00 10.00 C ATOM 129 O GLU A 10 -10.277 2.865 -9.040 1.00 10.00 O ATOM 130 CB GLU A 10 -13.042 4.936 -8.632 1.00 10.00 C ATOM 131 CG GLU A 10 -13.077 4.948 -10.168 1.00 10.00 C ATOM 132 CD GLU A 10 -13.756 3.720 -10.762 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.807 3.323 -10.221 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.201 3.187 -11.748 1.00 10.00 O ATOM 0 H GLU A 10 -13.190 4.375 -6.273 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.680 2.817 -8.437 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.065 4.921 -8.255 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.586 5.862 -8.281 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.599 5.843 -10.506 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.057 5.011 -10.548 1.00 10.00 H new ATOM 141 N GLU A 11 -10.105 4.871 -8.024 1.00 10.00 N ATOM 142 CA GLU A 11 -8.682 5.058 -8.274 1.00 10.00 C ATOM 143 C GLU A 11 -7.891 3.955 -7.591 1.00 10.00 C ATOM 144 O GLU A 11 -6.998 3.345 -8.177 1.00 10.00 O ATOM 145 CB GLU A 11 -8.205 6.394 -7.685 1.00 10.00 C ATOM 146 CG GLU A 11 -8.720 7.627 -8.435 1.00 10.00 C ATOM 147 CD GLU A 11 -7.769 8.038 -9.549 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.919 7.486 -10.660 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.901 8.891 -9.259 1.00 10.00 O ATOM 0 H GLU A 11 -10.533 5.644 -7.514 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.526 5.041 -9.353 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.524 6.455 -6.645 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.115 6.411 -7.685 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.704 7.415 -8.854 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.843 8.454 -7.736 1.00 10.00 H new ATOM 156 N ILE A 12 -8.172 3.751 -6.306 1.00 10.00 N ATOM 157 CA ILE A 12 -7.293 2.958 -5.483 1.00 10.00 C ATOM 158 C ILE A 12 -7.225 1.529 -6.018 1.00 10.00 C ATOM 159 O ILE A 12 -6.141 0.960 -6.112 1.00 10.00 O ATOM 160 CB ILE A 12 -7.693 3.033 -3.994 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.649 4.466 -3.423 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.750 2.155 -3.173 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.554 4.633 -2.199 1.00 10.00 C ATOM 0 H ILE A 12 -8.992 4.122 -5.827 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.285 3.370 -5.536 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.724 2.685 -3.929 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.623 4.714 -3.150 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.953 5.172 -4.196 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.030 2.206 -2.121 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.821 1.123 -3.518 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.726 2.509 -3.294 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.488 5.658 -1.835 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.585 4.412 -2.476 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.234 3.948 -1.414 1.00 10.00 H new ATOM 175 N GLN A 13 -8.372 0.983 -6.423 1.00 10.00 N ATOM 176 CA GLN A 13 -8.469 -0.349 -6.998 1.00 10.00 C ATOM 177 C GLN A 13 -7.626 -0.394 -8.266 1.00 10.00 C ATOM 178 O GLN A 13 -6.803 -1.284 -8.463 1.00 10.00 O ATOM 179 CB GLN A 13 -9.933 -0.639 -7.365 1.00 10.00 C ATOM 180 CG GLN A 13 -10.767 -1.086 -6.153 1.00 10.00 C ATOM 181 CD GLN A 13 -10.976 -2.599 -6.069 1.00 10.00 C ATOM 182 OE1 GLN A 13 -10.268 -3.334 -6.792 1.00 10.00 O ATOM 183 NE2 GLN A 13 -11.891 -2.990 -5.311 1.00 10.00 N ATOM 0 H GLN A 13 -9.269 1.464 -6.358 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.116 -1.090 -6.281 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.379 0.256 -7.799 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.966 -1.415 -8.130 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.276 -0.746 -5.241 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.740 -0.596 -6.193 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.417 -2.315 -4.757 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -12.111 -3.984 -5.247 1.00 10.00 H new ATOM 190 N LYS A 14 -7.857 0.599 -9.128 1.00 10.00 N ATOM 191 CA LYS A 14 -7.148 0.792 -10.381 1.00 10.00 C ATOM 192 C LYS A 14 -5.636 0.665 -10.157 1.00 10.00 C ATOM 193 O LYS A 14 -4.937 -0.046 -10.882 1.00 10.00 O ATOM 194 CB LYS A 14 -7.513 2.188 -10.908 1.00 10.00 C ATOM 195 CG LYS A 14 -7.677 2.296 -12.427 1.00 10.00 C ATOM 196 CD LYS A 14 -8.938 1.587 -12.957 1.00 10.00 C ATOM 197 CE LYS A 14 -10.199 2.004 -12.176 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.456 1.631 -12.848 1.00 10.00 N ATOM 0 H LYS A 14 -8.568 1.311 -8.961 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.433 0.033 -11.110 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.443 2.504 -10.436 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -6.741 2.890 -10.592 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -7.716 3.349 -12.707 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -6.799 1.870 -12.911 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.070 1.822 -14.013 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -8.806 0.507 -12.884 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.174 1.544 -11.188 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.183 3.083 -12.025 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.184 2.345 -12.644 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.299 1.580 -13.875 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.774 0.704 -12.500 1.00 10.00 H new ATOM 212 N HIS A 15 -5.131 1.365 -9.141 1.00 10.00 N ATOM 213 CA HIS A 15 -3.734 1.306 -8.763 1.00 10.00 C ATOM 214 C HIS A 15 -3.414 0.009 -8.012 1.00 10.00 C ATOM 215 O HIS A 15 -3.166 0.008 -6.808 1.00 10.00 O ATOM 216 CB HIS A 15 -3.353 2.539 -7.949 1.00 10.00 C ATOM 217 CG HIS A 15 -3.149 3.779 -8.783 1.00 10.00 C ATOM 218 ND1 HIS A 15 -1.965 4.465 -8.898 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.064 4.403 -9.587 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.157 5.472 -9.766 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.419 5.468 -10.222 1.00 10.00 N ATOM 0 H HIS A 15 -5.689 1.990 -8.559 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.131 1.303 -9.671 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.133 2.732 -7.212 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.437 2.329 -7.396 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.100 4.122 -9.709 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.401 6.186 -10.057 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -3.827 6.114 -10.898 1.00 10.00 H new ATOM 229 N ASN A 16 -3.324 -1.089 -8.757 1.00 10.00 N ATOM 230 CA ASN A 16 -2.704 -2.332 -8.298 1.00 10.00 C ATOM 231 C ASN A 16 -2.090 -3.109 -9.457 1.00 10.00 C ATOM 232 O ASN A 16 -2.102 -4.342 -9.475 1.00 10.00 O ATOM 233 CB ASN A 16 -3.665 -3.169 -7.444 1.00 10.00 C ATOM 234 CG ASN A 16 -4.897 -3.701 -8.166 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.008 -3.638 -9.388 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.828 -4.252 -7.391 1.00 10.00 N ATOM 0 H ASN A 16 -3.684 -1.143 -9.710 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.877 -2.070 -7.638 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.114 -4.015 -7.033 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.994 -2.563 -6.600 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.673 -4.642 -7.808 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.697 -4.284 -6.380 1.00 10.00 H new ATOM 243 N ASN A 17 -1.520 -2.399 -10.438 1.00 10.00 N ATOM 244 CA ASN A 17 -1.014 -3.057 -11.633 1.00 10.00 C ATOM 245 C ASN A 17 0.062 -2.218 -12.327 1.00 10.00 C ATOM 246 O ASN A 17 0.813 -1.505 -11.662 1.00 10.00 O ATOM 247 CB ASN A 17 -2.197 -3.458 -12.536 1.00 10.00 C ATOM 248 CG ASN A 17 -1.833 -4.646 -13.419 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.433 -5.693 -12.918 1.00 10.00 O ATOM 250 ND2 ASN A 17 -1.937 -4.495 -14.738 1.00 10.00 N ATOM 0 H ASN A 17 -1.402 -1.386 -10.423 1.00 10.00 H new ATOM 0 HA ASN A 17 -0.500 -3.979 -11.361 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.060 -3.709 -11.920 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.486 -2.612 -13.160 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -1.681 -5.261 -15.361 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -2.273 -3.613 -15.125 1.00 10.00 H new ATOM 257 N SER A 18 0.153 -2.295 -13.659 1.00 10.00 N ATOM 258 CA SER A 18 1.268 -1.782 -14.449 1.00 10.00 C ATOM 259 C SER A 18 1.013 -0.306 -14.723 1.00 10.00 C ATOM 260 O SER A 18 0.825 0.113 -15.864 1.00 10.00 O ATOM 261 CB SER A 18 1.393 -2.593 -15.743 1.00 10.00 C ATOM 262 OG SER A 18 1.516 -3.971 -15.440 1.00 10.00 O ATOM 0 H SER A 18 -0.571 -2.730 -14.231 1.00 10.00 H new ATOM 0 HA SER A 18 2.212 -1.880 -13.912 1.00 10.00 H new ATOM 0 HB2 SER A 18 0.518 -2.427 -16.372 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.262 -2.258 -16.310 1.00 10.00 H new ATOM 0 HG SER A 18 1.594 -4.483 -16.272 1.00 10.00 H new ATOM 268 N LYS A 19 0.890 0.436 -13.628 1.00 10.00 N ATOM 269 CA LYS A 19 0.293 1.752 -13.544 1.00 10.00 C ATOM 270 C LYS A 19 0.877 2.405 -12.296 1.00 10.00 C ATOM 271 O LYS A 19 1.569 3.413 -12.388 1.00 10.00 O ATOM 272 CB LYS A 19 -1.239 1.596 -13.435 1.00 10.00 C ATOM 273 CG LYS A 19 -1.956 1.087 -14.693 1.00 10.00 C ATOM 274 CD LYS A 19 -1.748 2.014 -15.901 1.00 10.00 C ATOM 275 CE LYS A 19 -2.471 1.467 -17.140 1.00 10.00 C ATOM 276 NZ LYS A 19 -2.190 2.282 -18.340 1.00 10.00 N ATOM 0 H LYS A 19 1.227 0.109 -12.723 1.00 10.00 H new ATOM 0 HA LYS A 19 0.501 2.366 -14.421 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -1.457 0.912 -12.615 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.664 2.563 -13.165 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -1.591 0.089 -14.937 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -3.023 0.995 -14.488 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -2.121 3.011 -15.668 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -0.683 2.113 -16.110 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -2.160 0.438 -17.318 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -3.545 1.448 -16.956 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -2.695 1.883 -19.157 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -2.510 3.259 -18.179 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -1.167 2.279 -18.530 1.00 10.00 H new ATOM 290 N SER A 20 0.614 1.775 -11.150 1.00 10.00 N ATOM 291 CA SER A 20 1.163 1.987 -9.835 1.00 10.00 C ATOM 292 C SER A 20 0.335 1.075 -8.931 1.00 10.00 C ATOM 293 O SER A 20 -0.633 0.457 -9.388 1.00 10.00 O ATOM 294 CB SER A 20 1.156 3.464 -9.404 1.00 10.00 C ATOM 295 OG SER A 20 2.453 3.999 -9.541 1.00 10.00 O ATOM 0 H SER A 20 -0.070 1.019 -11.134 1.00 10.00 H new ATOM 0 HA SER A 20 2.224 1.740 -9.788 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.452 4.029 -10.015 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.822 3.551 -8.370 1.00 10.00 H new ATOM 0 HG SER A 20 3.047 3.592 -8.876 1.00 10.00 H new ATOM 301 N THR A 21 0.775 0.929 -7.689 1.00 10.00 N ATOM 302 CA THR A 21 0.234 -0.028 -6.734 1.00 10.00 C ATOM 303 C THR A 21 0.040 0.612 -5.357 1.00 10.00 C ATOM 304 O THR A 21 1.012 0.995 -4.711 1.00 10.00 O ATOM 305 CB THR A 21 1.155 -1.248 -6.704 1.00 10.00 C ATOM 306 OG1 THR A 21 1.116 -1.885 -7.970 1.00 10.00 O ATOM 307 CG2 THR A 21 0.717 -2.278 -5.667 1.00 10.00 C ATOM 0 H THR A 21 1.538 1.488 -7.308 1.00 10.00 H new ATOM 0 HA THR A 21 -0.759 -0.353 -7.043 1.00 10.00 H new ATOM 0 HB THR A 21 2.154 -0.893 -6.450 1.00 10.00 H new ATOM 0 HG1 THR A 21 0.518 -2.660 -7.928 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.402 -3.126 -5.684 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.726 -1.824 -4.676 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.291 -2.622 -5.899 1.00 10.00 H new ATOM 315 N TRP A 22 -1.221 0.738 -4.935 1.00 10.00 N ATOM 316 CA TRP A 22 -1.702 1.449 -3.755 1.00 10.00 C ATOM 317 C TRP A 22 -2.216 0.453 -2.718 1.00 10.00 C ATOM 318 O TRP A 22 -2.639 -0.633 -3.086 1.00 10.00 O ATOM 319 CB TRP A 22 -2.813 2.395 -4.221 1.00 10.00 C ATOM 320 CG TRP A 22 -2.324 3.631 -4.929 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.058 3.863 -5.341 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.082 4.790 -5.381 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.986 5.047 -6.030 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.224 5.648 -6.131 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.409 5.211 -5.213 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.691 6.817 -6.754 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.909 6.334 -5.888 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.064 7.109 -6.700 1.00 10.00 C ATOM 0 H TRP A 22 -1.989 0.311 -5.452 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.903 2.019 -3.281 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.481 1.850 -4.888 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.403 2.697 -3.355 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.220 3.208 -5.154 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.126 5.434 -6.419 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.059 4.659 -4.550 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.007 7.479 -7.265 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.949 6.605 -5.783 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.468 7.925 -7.280 1.00 10.00 H new ATOM 339 N LEU A 23 -2.221 0.791 -1.428 1.00 10.00 N ATOM 340 CA LEU A 23 -2.971 0.027 -0.429 1.00 10.00 C ATOM 341 C LEU A 23 -3.497 0.952 0.656 1.00 10.00 C ATOM 342 O LEU A 23 -2.993 2.068 0.792 1.00 10.00 O ATOM 343 CB LEU A 23 -2.172 -1.133 0.196 1.00 10.00 C ATOM 344 CG LEU A 23 -0.697 -1.322 -0.148 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.121 -0.374 0.698 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.299 -2.753 0.223 1.00 10.00 C ATOM 0 H LEU A 23 -1.713 1.590 -1.049 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.804 -0.433 -0.961 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.240 -1.026 1.279 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.686 -2.058 -0.066 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.527 -1.133 -1.208 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.178 -0.497 0.464 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.180 0.652 0.489 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -0.045 -0.593 1.753 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.753 -2.911 -0.014 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.458 -2.910 1.290 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.909 -3.458 -0.342 1.00 10.00 H new ATOM 358 N ILE A 24 -4.490 0.478 1.424 1.00 10.00 N ATOM 359 CA ILE A 24 -4.974 1.174 2.611 1.00 10.00 C ATOM 360 C ILE A 24 -4.350 0.573 3.855 1.00 10.00 C ATOM 361 O ILE A 24 -4.462 -0.631 4.067 1.00 10.00 O ATOM 362 CB ILE A 24 -6.510 1.149 2.773 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.326 0.918 1.497 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.983 2.398 3.521 1.00 10.00 C ATOM 365 CD1 ILE A 24 -7.354 2.105 0.541 1.00 10.00 C ATOM 0 H ILE A 24 -4.975 -0.399 1.234 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.680 2.216 2.480 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.711 0.254 3.363 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.919 0.054 0.972 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -8.350 0.668 1.776 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.067 2.369 3.629 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.521 2.428 4.508 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.698 3.288 2.960 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.953 1.853 -0.334 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.791 2.967 1.044 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -6.338 2.344 0.228 1.00 10.00 H new ATOM 377 N LEU A 25 -3.729 1.432 4.666 1.00 10.00 N ATOM 378 CA LEU A 25 -3.182 1.112 5.974 1.00 10.00 C ATOM 379 C LEU A 25 -3.736 2.173 6.934 1.00 10.00 C ATOM 380 O LEU A 25 -3.169 3.256 7.072 1.00 10.00 O ATOM 381 CB LEU A 25 -1.647 1.117 5.912 1.00 10.00 C ATOM 382 CG LEU A 25 -0.967 -0.218 5.558 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.409 -0.835 4.231 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.547 -0.004 5.480 1.00 10.00 C ATOM 0 H LEU A 25 -3.591 2.410 4.412 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.467 0.117 6.316 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.338 1.862 5.178 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.268 1.446 6.879 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.263 -0.909 6.347 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.875 -1.772 4.070 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.481 -1.028 4.259 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.186 -0.145 3.417 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.035 -0.946 5.230 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.771 0.736 4.712 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.914 0.350 6.443 1.00 10.00 H new ATOM 396 N HIS A 26 -4.865 1.885 7.584 1.00 10.00 N ATOM 397 CA HIS A 26 -5.529 2.784 8.530 1.00 10.00 C ATOM 398 C HIS A 26 -6.153 3.989 7.804 1.00 10.00 C ATOM 399 O HIS A 26 -5.821 5.143 8.096 1.00 10.00 O ATOM 400 CB HIS A 26 -4.579 3.226 9.669 1.00 10.00 C ATOM 401 CG HIS A 26 -3.602 2.184 10.165 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.837 1.218 11.118 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.285 2.087 9.798 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.688 0.540 11.298 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.717 1.033 10.511 1.00 10.00 N ATOM 0 H HIS A 26 -5.355 0.998 7.464 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.340 2.227 8.998 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -4.012 4.091 9.326 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.185 3.556 10.512 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.777 2.716 9.082 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.564 -0.287 11.981 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.754 0.701 10.448 1.00 10.00 H new ATOM 413 N TYR A 27 -7.049 3.741 6.839 1.00 10.00 N ATOM 414 CA TYR A 27 -7.718 4.742 5.990 1.00 10.00 C ATOM 415 C TYR A 27 -6.767 5.487 5.038 1.00 10.00 C ATOM 416 O TYR A 27 -7.177 5.878 3.951 1.00 10.00 O ATOM 417 CB TYR A 27 -8.535 5.770 6.796 1.00 10.00 C ATOM 418 CG TYR A 27 -10.049 5.669 6.741 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.723 4.749 7.568 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.778 6.725 6.155 1.00 10.00 C ATOM 421 CE1 TYR A 27 -12.050 4.998 7.961 1.00 10.00 C ATOM 422 CE2 TYR A 27 -12.094 6.989 6.569 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.699 6.167 7.532 1.00 10.00 C ATOM 424 OH TYR A 27 -13.833 6.592 8.162 1.00 10.00 O ATOM 0 H TYR A 27 -7.343 2.790 6.617 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.401 4.147 5.384 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.232 5.695 7.840 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.253 6.765 6.453 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.221 3.853 7.900 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.323 7.332 5.386 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.569 4.291 8.592 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.638 7.821 6.148 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.081 7.479 7.827 1.00 10.00 H new ATOM 434 N LYS A 28 -5.528 5.775 5.437 1.00 10.00 N ATOM 435 CA LYS A 28 -4.597 6.443 4.538 1.00 10.00 C ATOM 436 C LYS A 28 -4.284 5.522 3.361 1.00 10.00 C ATOM 437 O LYS A 28 -4.418 4.306 3.494 1.00 10.00 O ATOM 438 CB LYS A 28 -3.326 6.849 5.287 1.00 10.00 C ATOM 439 CG LYS A 28 -3.350 8.315 5.721 1.00 10.00 C ATOM 440 CD LYS A 28 -4.494 8.598 6.694 1.00 10.00 C ATOM 441 CE LYS A 28 -4.178 8.100 8.115 1.00 10.00 C ATOM 442 NZ LYS A 28 -5.389 7.673 8.844 1.00 10.00 N ATOM 0 H LYS A 28 -5.154 5.559 6.361 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.051 7.356 4.153 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.206 6.215 6.165 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.460 6.676 4.648 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.401 8.571 6.191 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.453 8.953 4.843 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.691 9.670 6.721 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.403 8.116 6.335 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.479 7.266 8.058 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.682 8.894 8.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.139 7.443 9.827 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.089 8.442 8.836 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.793 6.833 8.384 1.00 10.00 H new ATOM 456 N VAL A 29 -3.860 6.106 2.236 1.00 10.00 N ATOM 457 CA VAL A 29 -3.527 5.414 1.001 1.00 10.00 C ATOM 458 C VAL A 29 -2.021 5.537 0.755 1.00 10.00 C ATOM 459 O VAL A 29 -1.436 6.612 0.923 1.00 10.00 O ATOM 460 CB VAL A 29 -4.351 5.998 -0.151 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.975 5.431 -1.509 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.833 5.681 0.014 1.00 10.00 C ATOM 0 H VAL A 29 -3.737 7.116 2.165 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.772 4.354 1.073 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.144 7.067 -0.113 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.597 5.888 -2.279 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.926 5.645 -1.715 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.131 4.352 -1.509 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.391 6.109 -0.819 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.974 4.600 0.029 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.194 6.107 0.950 1.00 10.00 H new ATOM 472 N TYR A 30 -1.408 4.404 0.406 1.00 10.00 N ATOM 473 CA TYR A 30 0.021 4.157 0.496 1.00 10.00 C ATOM 474 C TYR A 30 0.482 3.607 -0.850 1.00 10.00 C ATOM 475 O TYR A 30 0.016 2.534 -1.223 1.00 10.00 O ATOM 476 CB TYR A 30 0.205 3.120 1.614 1.00 10.00 C ATOM 477 CG TYR A 30 0.016 3.692 3.004 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.289 3.909 3.467 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.102 3.990 3.845 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.513 4.294 4.786 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.869 4.361 5.187 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.445 4.433 5.675 1.00 10.00 C ATOM 483 OH TYR A 30 -0.705 4.559 7.006 1.00 10.00 O ATOM 0 H TYR A 30 -1.922 3.603 0.038 1.00 10.00 H new ATOM 0 HA TYR A 30 0.601 5.052 0.720 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.505 2.306 1.465 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.204 2.690 1.539 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.125 3.777 2.797 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.112 3.935 3.466 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.520 4.487 5.124 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.701 4.589 5.837 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.564 4.136 7.213 1.00 10.00 H new ATOM 493 N ASP A 31 1.354 4.319 -1.577 1.00 10.00 N ATOM 494 CA ASP A 31 1.857 3.869 -2.876 1.00 10.00 C ATOM 495 C ASP A 31 3.174 3.156 -2.656 1.00 10.00 C ATOM 496 O ASP A 31 4.068 3.726 -2.032 1.00 10.00 O ATOM 497 CB ASP A 31 2.137 5.021 -3.843 1.00 10.00 C ATOM 498 CG ASP A 31 2.346 4.526 -5.274 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.189 3.619 -5.464 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.640 5.034 -6.173 1.00 10.00 O ATOM 0 H ASP A 31 1.728 5.220 -1.280 1.00 10.00 H new ATOM 0 HA ASP A 31 1.088 3.230 -3.310 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.305 5.725 -3.820 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.023 5.564 -3.514 1.00 10.00 H new ATOM 505 N LEU A 32 3.306 1.938 -3.171 1.00 10.00 N ATOM 506 CA LEU A 32 4.537 1.177 -3.030 1.00 10.00 C ATOM 507 C LEU A 32 5.200 0.811 -4.353 1.00 10.00 C ATOM 508 O LEU A 32 6.040 -0.082 -4.365 1.00 10.00 O ATOM 509 CB LEU A 32 4.271 -0.147 -2.326 1.00 10.00 C ATOM 510 CG LEU A 32 3.518 -0.148 -1.002 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.771 -1.501 -0.327 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.863 0.923 0.019 1.00 10.00 C ATOM 0 H LEU A 32 2.572 1.458 -3.691 1.00 10.00 H new ATOM 0 HA LEU A 32 5.196 1.836 -2.465 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.717 -0.781 -3.018 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.235 -0.627 -2.155 1.00 10.00 H new ATOM 0 HG LEU A 32 2.486 0.058 -1.285 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.245 -1.536 0.627 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.409 -2.302 -0.971 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.840 -1.628 -0.156 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.245 0.792 0.907 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.915 0.839 0.293 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.677 1.908 -0.410 1.00 10.00 H new ATOM 524 N THR A 33 4.840 1.437 -5.463 1.00 10.00 N ATOM 525 CA THR A 33 5.257 0.989 -6.796 1.00 10.00 C ATOM 526 C THR A 33 6.774 0.758 -6.909 1.00 10.00 C ATOM 527 O THR A 33 7.185 -0.224 -7.519 1.00 10.00 O ATOM 528 CB THR A 33 4.731 1.970 -7.855 1.00 10.00 C ATOM 529 OG1 THR A 33 3.345 2.189 -7.656 1.00 10.00 O ATOM 530 CG2 THR A 33 4.937 1.432 -9.275 1.00 10.00 C ATOM 0 H THR A 33 4.251 2.270 -5.472 1.00 10.00 H new ATOM 0 HA THR A 33 4.814 0.010 -6.976 1.00 10.00 H new ATOM 0 HB THR A 33 5.289 2.900 -7.747 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.217 2.977 -7.087 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.553 2.153 -9.997 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.000 1.272 -9.453 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.405 0.488 -9.387 1.00 10.00 H new ATOM 538 N LYS A 34 7.614 1.609 -6.305 1.00 10.00 N ATOM 539 CA LYS A 34 9.045 1.311 -6.221 1.00 10.00 C ATOM 540 C LYS A 34 9.297 0.090 -5.327 1.00 10.00 C ATOM 541 O LYS A 34 10.053 -0.815 -5.670 1.00 10.00 O ATOM 542 CB LYS A 34 9.860 2.536 -5.756 1.00 10.00 C ATOM 543 CG LYS A 34 9.485 3.108 -4.375 1.00 10.00 C ATOM 544 CD LYS A 34 10.424 4.249 -3.941 1.00 10.00 C ATOM 545 CE LYS A 34 11.453 3.814 -2.882 1.00 10.00 C ATOM 546 NZ LYS A 34 12.409 2.807 -3.380 1.00 10.00 N ATOM 0 H LYS A 34 7.333 2.491 -5.876 1.00 10.00 H new ATOM 0 HA LYS A 34 9.391 1.066 -7.225 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.915 2.262 -5.740 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.747 3.326 -6.498 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.459 3.475 -4.403 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.518 2.311 -3.633 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.951 4.631 -4.816 1.00 10.00 H new ATOM 0 HD3 LYS A 34 9.828 5.071 -3.544 1.00 10.00 H new ATOM 0 HE2 LYS A 34 12.004 4.690 -2.539 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.926 3.409 -2.018 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.998 2.468 -2.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 11.887 2.007 -3.792 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.017 3.235 -4.107 1.00 10.00 H new ATOM 560 N PHE A 35 8.646 0.077 -4.166 1.00 10.00 N ATOM 561 CA PHE A 35 8.952 -0.813 -3.065 1.00 10.00 C ATOM 562 C PHE A 35 8.596 -2.246 -3.395 1.00 10.00 C ATOM 563 O PHE A 35 9.212 -3.160 -2.869 1.00 10.00 O ATOM 564 CB PHE A 35 8.275 -0.346 -1.771 1.00 10.00 C ATOM 565 CG PHE A 35 9.108 -0.707 -0.556 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.337 -0.045 -0.365 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.815 -1.855 0.203 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.245 -0.492 0.607 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.744 -2.324 1.149 1.00 10.00 C ATOM 570 CZ PHE A 35 10.951 -1.637 1.361 1.00 10.00 C ATOM 0 H PHE A 35 7.869 0.707 -3.966 1.00 10.00 H new ATOM 0 HA PHE A 35 10.029 -0.779 -2.902 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.125 0.733 -1.805 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.289 -0.803 -1.688 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.582 0.814 -0.972 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.879 -2.375 0.059 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.167 0.044 0.774 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.528 -3.218 1.716 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.651 -1.990 2.103 1.00 10.00 H new ATOM 580 N LEU A 36 7.634 -2.439 -4.291 1.00 10.00 N ATOM 581 CA LEU A 36 7.442 -3.691 -5.013 1.00 10.00 C ATOM 582 C LEU A 36 8.770 -4.411 -5.308 1.00 10.00 C ATOM 583 O LEU A 36 8.873 -5.611 -5.061 1.00 10.00 O ATOM 584 CB LEU A 36 6.681 -3.399 -6.311 1.00 10.00 C ATOM 585 CG LEU A 36 5.261 -2.856 -6.121 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.534 -2.994 -7.462 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.475 -3.554 -5.007 1.00 10.00 C ATOM 0 H LEU A 36 6.956 -1.719 -4.540 1.00 10.00 H new ATOM 0 HA LEU A 36 6.864 -4.366 -4.382 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.254 -2.679 -6.896 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.628 -4.316 -6.897 1.00 10.00 H new ATOM 0 HG LEU A 36 5.332 -1.815 -5.806 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.516 -2.616 -7.365 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.063 -2.420 -8.223 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.505 -4.044 -7.754 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.480 -3.115 -4.933 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.387 -4.616 -5.235 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.998 -3.428 -4.059 1.00 10.00 H new ATOM 599 N GLU A 37 9.785 -3.686 -5.794 1.00 10.00 N ATOM 600 CA GLU A 37 11.111 -4.240 -6.039 1.00 10.00 C ATOM 601 C GLU A 37 11.786 -4.643 -4.722 1.00 10.00 C ATOM 602 O GLU A 37 12.257 -5.765 -4.558 1.00 10.00 O ATOM 603 CB GLU A 37 11.967 -3.191 -6.764 1.00 10.00 C ATOM 604 CG GLU A 37 11.427 -2.831 -8.156 1.00 10.00 C ATOM 605 CD GLU A 37 11.551 -3.988 -9.140 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.703 -4.423 -9.351 1.00 10.00 O ATOM 607 OE2 GLU A 37 10.498 -4.407 -9.665 1.00 10.00 O ATOM 0 H GLU A 37 9.704 -2.696 -6.027 1.00 10.00 H new ATOM 0 HA GLU A 37 11.013 -5.132 -6.657 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.017 -2.288 -6.156 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.986 -3.566 -6.862 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.380 -2.538 -8.073 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.970 -1.968 -8.542 1.00 10.00 H new ATOM 614 N GLU A 38 11.874 -3.686 -3.796 1.00 10.00 N ATOM 615 CA GLU A 38 12.623 -3.794 -2.551 1.00 10.00 C ATOM 616 C GLU A 38 12.016 -4.812 -1.574 1.00 10.00 C ATOM 617 O GLU A 38 12.721 -5.331 -0.712 1.00 10.00 O ATOM 618 CB GLU A 38 12.683 -2.394 -1.919 1.00 10.00 C ATOM 619 CG GLU A 38 13.499 -1.410 -2.779 1.00 10.00 C ATOM 620 CD GLU A 38 12.932 0.002 -2.765 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.066 0.301 -3.615 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.382 0.854 -1.965 1.00 10.00 O ATOM 0 H GLU A 38 11.408 -2.785 -3.900 1.00 10.00 H new ATOM 0 HA GLU A 38 13.624 -4.164 -2.773 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.671 -2.010 -1.790 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.127 -2.463 -0.926 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.527 -1.386 -2.418 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.530 -1.773 -3.806 1.00 10.00 H new ATOM 629 N HIS A 39 10.705 -5.051 -1.656 1.00 10.00 N ATOM 630 CA HIS A 39 9.920 -5.745 -0.647 1.00 10.00 C ATOM 631 C HIS A 39 10.425 -7.171 -0.404 1.00 10.00 C ATOM 632 O HIS A 39 10.287 -8.004 -1.297 1.00 10.00 O ATOM 633 CB HIS A 39 8.440 -5.769 -1.077 1.00 10.00 C ATOM 634 CG HIS A 39 7.495 -6.233 0.004 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.413 -7.081 -0.139 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.470 -5.747 1.281 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.765 -7.085 1.040 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.384 -6.306 1.947 1.00 10.00 N ATOM 0 H HIS A 39 10.147 -4.754 -2.457 1.00 10.00 H new ATOM 0 HA HIS A 39 10.025 -5.203 0.293 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.148 -4.768 -1.395 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.334 -6.422 -1.943 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.156 -7.603 -0.977 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.175 -5.046 1.703 1.00 10.00 H new ATOM 0 HE1 HIS A 39 4.861 -7.643 1.235 1.00 10.00 H new ATOM 646 N PRO A 40 10.912 -7.511 0.802 1.00 10.00 N ATOM 647 CA PRO A 40 11.210 -8.889 1.179 1.00 10.00 C ATOM 648 C PRO A 40 10.021 -9.828 0.948 1.00 10.00 C ATOM 649 O PRO A 40 10.200 -10.959 0.507 1.00 10.00 O ATOM 650 CB PRO A 40 11.624 -8.832 2.653 1.00 10.00 C ATOM 651 CG PRO A 40 12.202 -7.423 2.774 1.00 10.00 C ATOM 652 CD PRO A 40 11.259 -6.612 1.889 1.00 10.00 C ATOM 0 HA PRO A 40 12.006 -9.302 0.559 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.775 -8.982 3.320 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.361 -9.597 2.898 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.199 -7.069 3.805 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.233 -7.374 2.423 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.373 -6.295 2.440 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.743 -5.709 1.517 1.00 10.00 H new ATOM 660 N GLY A 41 8.800 -9.352 1.222 1.00 10.00 N ATOM 661 CA GLY A 41 7.578 -10.071 0.887 1.00 10.00 C ATOM 662 C GLY A 41 7.472 -10.385 -0.613 1.00 10.00 C ATOM 663 O GLY A 41 6.886 -11.397 -0.979 1.00 10.00 O ATOM 0 H GLY A 41 8.638 -8.456 1.683 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.541 -11.002 1.453 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.716 -9.478 1.192 1.00 10.00 H new ATOM 667 N GLY A 42 7.996 -9.512 -1.482 1.00 10.00 N ATOM 668 CA GLY A 42 7.851 -9.587 -2.933 1.00 10.00 C ATOM 669 C GLY A 42 6.667 -8.754 -3.417 1.00 10.00 C ATOM 670 O GLY A 42 5.879 -8.254 -2.613 1.00 10.00 O ATOM 0 H GLY A 42 8.549 -8.710 -1.181 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.765 -9.235 -3.410 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.714 -10.626 -3.234 1.00 10.00 H new ATOM 674 N GLU A 43 6.548 -8.575 -4.734 1.00 10.00 N ATOM 675 CA GLU A 43 5.480 -7.784 -5.327 1.00 10.00 C ATOM 676 C GLU A 43 4.158 -8.558 -5.292 1.00 10.00 C ATOM 677 O GLU A 43 3.155 -8.025 -4.821 1.00 10.00 O ATOM 678 CB GLU A 43 5.924 -7.284 -6.711 1.00 10.00 C ATOM 679 CG GLU A 43 4.813 -6.662 -7.562 1.00 10.00 C ATOM 680 CD GLU A 43 4.023 -7.697 -8.351 1.00 10.00 C ATOM 681 OE1 GLU A 43 4.530 -8.144 -9.397 1.00 10.00 O ATOM 682 OE2 GLU A 43 2.884 -7.989 -7.929 1.00 10.00 O ATOM 0 H GLU A 43 7.192 -8.976 -5.416 1.00 10.00 H new ATOM 0 HA GLU A 43 5.281 -6.885 -4.743 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.715 -6.546 -6.577 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.357 -8.120 -7.261 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.133 -6.109 -6.915 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.251 -5.942 -8.253 1.00 10.00 H new ATOM 689 N GLU A 44 4.162 -9.823 -5.722 1.00 10.00 N ATOM 690 CA GLU A 44 2.957 -10.643 -5.824 1.00 10.00 C ATOM 691 C GLU A 44 2.105 -10.557 -4.551 1.00 10.00 C ATOM 692 O GLU A 44 0.928 -10.194 -4.599 1.00 10.00 O ATOM 693 CB GLU A 44 3.342 -12.097 -6.127 1.00 10.00 C ATOM 694 CG GLU A 44 4.118 -12.237 -7.444 1.00 10.00 C ATOM 695 CD GLU A 44 4.371 -13.704 -7.763 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.133 -14.321 -6.987 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.787 -14.183 -8.758 1.00 10.00 O ATOM 0 H GLU A 44 5.011 -10.309 -6.011 1.00 10.00 H new ATOM 0 HA GLU A 44 2.350 -10.258 -6.643 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.948 -12.487 -5.309 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.439 -12.706 -6.174 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.555 -11.775 -8.255 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.067 -11.706 -7.371 1.00 10.00 H new ATOM 704 N VAL A 45 2.727 -10.850 -3.404 1.00 10.00 N ATOM 705 CA VAL A 45 2.078 -10.835 -2.092 1.00 10.00 C ATOM 706 C VAL A 45 1.435 -9.479 -1.807 1.00 10.00 C ATOM 707 O VAL A 45 0.457 -9.382 -1.071 1.00 10.00 O ATOM 708 CB VAL A 45 3.059 -11.217 -0.958 1.00 10.00 C ATOM 709 CG1 VAL A 45 4.029 -12.319 -1.385 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.922 -10.058 -0.439 1.00 10.00 C ATOM 0 H VAL A 45 3.713 -11.109 -3.362 1.00 10.00 H new ATOM 0 HA VAL A 45 1.292 -11.590 -2.120 1.00 10.00 H new ATOM 0 HB VAL A 45 2.394 -11.549 -0.161 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.699 -12.555 -0.558 1.00 10.00 H new ATOM 0 HG12 VAL A 45 3.467 -13.211 -1.663 1.00 10.00 H new ATOM 0 HG13 VAL A 45 4.614 -11.978 -2.239 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.578 -10.419 0.353 1.00 10.00 H new ATOM 0 HG22 VAL A 45 4.524 -9.659 -1.255 1.00 10.00 H new ATOM 0 HG23 VAL A 45 3.277 -9.272 -0.046 1.00 10.00 H new ATOM 720 N LEU A 46 2.030 -8.421 -2.351 1.00 10.00 N ATOM 721 CA LEU A 46 1.596 -7.061 -2.151 1.00 10.00 C ATOM 722 C LEU A 46 0.394 -6.803 -3.059 1.00 10.00 C ATOM 723 O LEU A 46 -0.656 -6.364 -2.594 1.00 10.00 O ATOM 724 CB LEU A 46 2.798 -6.143 -2.435 1.00 10.00 C ATOM 725 CG LEU A 46 2.774 -4.782 -1.740 1.00 10.00 C ATOM 726 CD1 LEU A 46 1.665 -3.893 -2.310 1.00 10.00 C ATOM 727 CD2 LEU A 46 2.679 -4.936 -0.216 1.00 10.00 C ATOM 0 H LEU A 46 2.847 -8.499 -2.957 1.00 10.00 H new ATOM 0 HA LEU A 46 1.267 -6.863 -1.131 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.708 -6.665 -2.139 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.860 -5.979 -3.511 1.00 10.00 H new ATOM 0 HG LEU A 46 3.719 -4.279 -1.944 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.670 -2.931 -1.798 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.835 -3.738 -3.375 1.00 10.00 H new ATOM 0 HD13 LEU A 46 0.699 -4.377 -2.163 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.664 -3.950 0.249 1.00 10.00 H new ATOM 0 HD22 LEU A 46 1.765 -5.472 0.039 1.00 10.00 H new ATOM 0 HD23 LEU A 46 3.541 -5.496 0.148 1.00 10.00 H new ATOM 739 N ARG A 47 0.515 -7.107 -4.354 1.00 10.00 N ATOM 740 CA ARG A 47 -0.548 -6.832 -5.311 1.00 10.00 C ATOM 741 C ARG A 47 -1.809 -7.643 -5.016 1.00 10.00 C ATOM 742 O ARG A 47 -2.916 -7.141 -5.188 1.00 10.00 O ATOM 743 CB ARG A 47 -0.065 -6.965 -6.759 1.00 10.00 C ATOM 744 CG ARG A 47 0.532 -5.616 -7.201 1.00 10.00 C ATOM 745 CD ARG A 47 0.981 -5.527 -8.663 1.00 10.00 C ATOM 746 NE ARG A 47 -0.002 -6.107 -9.591 1.00 10.00 N ATOM 747 CZ ARG A 47 0.091 -7.318 -10.166 1.00 10.00 C ATOM 748 NH1 ARG A 47 0.975 -8.222 -9.733 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.707 -7.623 -11.193 1.00 10.00 N ATOM 0 H ARG A 47 1.342 -7.544 -4.760 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.833 -5.787 -5.188 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.683 -7.754 -6.838 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.893 -7.244 -7.410 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.209 -4.837 -7.021 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.389 -5.394 -6.564 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.150 -4.483 -8.925 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.934 -6.043 -8.779 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.822 -5.544 -9.817 1.00 10.00 H new ATOM 0 HH11 ARG A 47 1.594 -7.998 -8.954 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.031 -9.136 -10.182 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.381 -6.939 -11.536 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.642 -8.540 -11.634 1.00 10.00 H new ATOM 763 N GLU A 48 -1.631 -8.856 -4.499 1.00 10.00 N ATOM 764 CA GLU A 48 -2.669 -9.674 -3.878 1.00 10.00 C ATOM 765 C GLU A 48 -3.555 -8.883 -2.892 1.00 10.00 C ATOM 766 O GLU A 48 -4.707 -9.242 -2.656 1.00 10.00 O ATOM 767 CB GLU A 48 -1.929 -10.815 -3.172 1.00 10.00 C ATOM 768 CG GLU A 48 -2.802 -11.830 -2.415 1.00 10.00 C ATOM 769 CD GLU A 48 -3.732 -12.634 -3.318 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.440 -12.708 -4.531 1.00 10.00 O ATOM 771 OE2 GLU A 48 -4.707 -13.185 -2.766 1.00 10.00 O ATOM 0 H GLU A 48 -0.720 -9.315 -4.502 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.364 -10.041 -4.633 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.344 -11.355 -3.916 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.222 -10.379 -2.466 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.155 -12.518 -1.871 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.399 -11.300 -1.673 1.00 10.00 H new ATOM 778 N GLN A 49 -3.021 -7.840 -2.249 1.00 10.00 N ATOM 779 CA GLN A 49 -3.743 -6.987 -1.302 1.00 10.00 C ATOM 780 C GLN A 49 -4.024 -5.597 -1.876 1.00 10.00 C ATOM 781 O GLN A 49 -4.981 -4.931 -1.483 1.00 10.00 O ATOM 782 CB GLN A 49 -2.897 -6.864 -0.031 1.00 10.00 C ATOM 783 CG GLN A 49 -2.611 -8.225 0.624 1.00 10.00 C ATOM 784 CD GLN A 49 -3.853 -8.948 1.144 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.061 -9.008 2.353 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.668 -9.540 0.272 1.00 10.00 N ATOM 0 H GLN A 49 -2.049 -7.559 -2.377 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.709 -7.443 -1.087 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.953 -6.376 -0.273 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.413 -6.223 0.683 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.110 -8.866 -0.101 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.918 -8.078 1.452 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.477 -9.478 -0.728 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.483 -10.055 0.604 1.00 10.00 H new ATOM 795 N ALA A 50 -3.144 -5.135 -2.757 1.00 10.00 N ATOM 796 CA ALA A 50 -3.140 -3.769 -3.251 1.00 10.00 C ATOM 797 C ALA A 50 -4.409 -3.416 -4.028 1.00 10.00 C ATOM 798 O ALA A 50 -5.075 -4.268 -4.617 1.00 10.00 O ATOM 799 CB ALA A 50 -1.922 -3.536 -4.134 1.00 10.00 C ATOM 0 H ALA A 50 -2.402 -5.712 -3.153 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.102 -3.119 -2.377 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.928 -2.509 -4.499 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.015 -3.710 -3.556 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.950 -4.222 -4.980 1.00 10.00 H new ATOM 805 N GLY A 51 -4.718 -2.122 -4.049 1.00 10.00 N ATOM 806 CA GLY A 51 -6.000 -1.605 -4.471 1.00 10.00 C ATOM 807 C GLY A 51 -7.080 -2.227 -3.617 1.00 10.00 C ATOM 808 O GLY A 51 -8.131 -2.645 -4.086 1.00 10.00 O ATOM 0 H GLY A 51 -4.063 -1.394 -3.765 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.020 -0.520 -4.374 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.172 -1.834 -5.523 1.00 10.00 H new ATOM 812 N GLY A 52 -6.800 -2.218 -2.316 1.00 10.00 N ATOM 813 CA GLY A 52 -7.710 -2.616 -1.293 1.00 10.00 C ATOM 814 C GLY A 52 -6.982 -2.414 0.024 1.00 10.00 C ATOM 815 O GLY A 52 -5.815 -2.007 0.080 1.00 10.00 O ATOM 0 H GLY A 52 -5.895 -1.919 -1.952 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.622 -2.019 -1.329 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.006 -3.658 -1.419 1.00 10.00 H new ATOM 819 N ASP A 53 -7.737 -2.652 1.082 1.00 10.00 N ATOM 820 CA ASP A 53 -7.263 -2.601 2.454 1.00 10.00 C ATOM 821 C ASP A 53 -6.226 -3.691 2.701 1.00 10.00 C ATOM 822 O ASP A 53 -6.461 -4.857 2.391 1.00 10.00 O ATOM 823 CB ASP A 53 -8.430 -2.716 3.442 1.00 10.00 C ATOM 824 CG ASP A 53 -7.937 -2.732 4.885 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.871 -2.128 5.135 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.615 -3.353 5.727 1.00 10.00 O ATOM 0 H ASP A 53 -8.725 -2.893 1.008 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.786 -1.634 2.616 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.114 -1.879 3.299 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.993 -3.627 3.238 1.00 10.00 H new ATOM 831 N ALA A 54 -5.084 -3.300 3.268 1.00 10.00 N ATOM 832 CA ALA A 54 -4.072 -4.227 3.755 1.00 10.00 C ATOM 833 C ALA A 54 -3.662 -3.905 5.197 1.00 10.00 C ATOM 834 O ALA A 54 -2.598 -4.343 5.637 1.00 10.00 O ATOM 835 CB ALA A 54 -2.880 -4.194 2.800 1.00 10.00 C ATOM 0 H ALA A 54 -4.837 -2.319 3.402 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.482 -5.237 3.777 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.113 -4.884 3.152 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.205 -4.490 1.803 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.471 -3.184 2.763 1.00 10.00 H new ATOM 841 N THR A 55 -4.482 -3.156 5.944 1.00 10.00 N ATOM 842 CA THR A 55 -4.148 -2.720 7.294 1.00 10.00 C ATOM 843 C THR A 55 -3.887 -3.925 8.205 1.00 10.00 C ATOM 844 O THR A 55 -2.821 -4.028 8.815 1.00 10.00 O ATOM 845 CB THR A 55 -5.259 -1.819 7.870 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.610 -0.774 6.984 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.779 -1.153 9.159 1.00 10.00 C ATOM 0 H THR A 55 -5.396 -2.838 5.623 1.00 10.00 H new ATOM 0 HA THR A 55 -3.232 -2.131 7.245 1.00 10.00 H new ATOM 0 HB THR A 55 -6.120 -2.465 8.041 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.128 -1.139 6.237 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.571 -0.519 9.558 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.524 -1.919 9.891 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.899 -0.545 8.949 1.00 10.00 H new ATOM 855 N GLU A 56 -4.864 -4.836 8.284 1.00 10.00 N ATOM 856 CA GLU A 56 -4.824 -6.017 9.116 1.00 10.00 C ATOM 857 C GLU A 56 -3.571 -6.788 8.751 1.00 10.00 C ATOM 858 O GLU A 56 -2.756 -7.035 9.618 1.00 10.00 O ATOM 859 CB GLU A 56 -6.111 -6.827 8.894 1.00 10.00 C ATOM 860 CG GLU A 56 -6.214 -8.034 9.833 1.00 10.00 C ATOM 861 CD GLU A 56 -7.529 -8.771 9.616 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.684 -9.327 8.508 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.361 -8.741 10.548 1.00 10.00 O ATOM 0 H GLU A 56 -5.728 -4.757 7.748 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.781 -5.775 10.178 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.975 -6.179 9.044 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.146 -7.171 7.860 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.378 -8.711 9.657 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -6.143 -7.703 10.869 1.00 10.00 H new ATOM 870 N ASN A 57 -3.380 -7.099 7.468 1.00 10.00 N ATOM 871 CA ASN A 57 -2.233 -7.868 6.997 1.00 10.00 C ATOM 872 C ASN A 57 -0.901 -7.203 7.385 1.00 10.00 C ATOM 873 O ASN A 57 0.008 -7.851 7.904 1.00 10.00 O ATOM 874 CB ASN A 57 -2.371 -8.086 5.487 1.00 10.00 C ATOM 875 CG ASN A 57 -1.495 -9.234 4.990 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.421 -9.500 5.516 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.944 -9.924 3.947 1.00 10.00 N ATOM 0 H ASN A 57 -4.021 -6.822 6.725 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.221 -8.842 7.487 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.413 -8.295 5.245 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.099 -7.170 4.963 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.391 -10.693 3.568 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.841 -9.685 3.525 1.00 10.00 H new ATOM 884 N PHE A 58 -0.779 -5.890 7.169 1.00 10.00 N ATOM 885 CA PHE A 58 0.421 -5.138 7.528 1.00 10.00 C ATOM 886 C PHE A 58 0.769 -5.306 9.014 1.00 10.00 C ATOM 887 O PHE A 58 1.921 -5.596 9.356 1.00 10.00 O ATOM 888 CB PHE A 58 0.224 -3.663 7.167 1.00 10.00 C ATOM 889 CG PHE A 58 1.446 -2.793 7.391 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.550 -2.905 6.527 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.455 -1.824 8.413 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.624 -2.005 6.632 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.537 -0.933 8.528 1.00 10.00 C ATOM 894 CZ PHE A 58 3.614 -1.011 7.626 1.00 10.00 C ATOM 0 H PHE A 58 -1.510 -5.322 6.741 1.00 10.00 H new ATOM 0 HA PHE A 58 1.264 -5.533 6.961 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.068 -3.594 6.119 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.603 -3.265 7.755 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.572 -3.685 5.780 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.631 -1.765 9.109 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.457 -2.077 5.949 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.541 -0.188 9.310 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.431 -0.309 7.697 1.00 10.00 H new ATOM 904 N GLU A 59 -0.229 -5.117 9.883 1.00 10.00 N ATOM 905 CA GLU A 59 -0.089 -5.255 11.330 1.00 10.00 C ATOM 906 C GLU A 59 0.137 -6.707 11.762 1.00 10.00 C ATOM 907 O GLU A 59 0.858 -6.983 12.718 1.00 10.00 O ATOM 908 CB GLU A 59 -1.364 -4.736 12.003 1.00 10.00 C ATOM 909 CG GLU A 59 -1.480 -3.206 11.959 1.00 10.00 C ATOM 910 CD GLU A 59 -0.416 -2.509 12.797 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.237 -3.186 13.627 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.201 -1.292 12.590 1.00 10.00 O ATOM 0 H GLU A 59 -1.172 -4.859 9.592 1.00 10.00 H new ATOM 0 HA GLU A 59 0.785 -4.678 11.632 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.233 -5.176 11.513 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.382 -5.067 13.041 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.400 -2.870 10.925 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.467 -2.911 12.315 1.00 10.00 H new ATOM 919 N ASP A 60 -0.532 -7.626 11.076 1.00 10.00 N ATOM 920 CA ASP A 60 -0.538 -9.054 11.327 1.00 10.00 C ATOM 921 C ASP A 60 0.897 -9.549 11.196 1.00 10.00 C ATOM 922 O ASP A 60 1.498 -10.064 12.139 1.00 10.00 O ATOM 923 CB ASP A 60 -1.468 -9.722 10.304 1.00 10.00 C ATOM 924 CG ASP A 60 -1.400 -11.233 10.438 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.178 -11.781 11.245 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.539 -11.805 9.733 1.00 10.00 O ATOM 0 H ASP A 60 -1.120 -7.374 10.281 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.905 -9.296 12.324 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.492 -9.382 10.457 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.182 -9.426 9.295 1.00 10.00 H new ATOM 931 N HIS A 61 1.497 -9.249 10.046 1.00 10.00 N ATOM 932 CA HIS A 61 2.917 -9.426 9.802 1.00 10.00 C ATOM 933 C HIS A 61 3.659 -8.203 10.348 1.00 10.00 C ATOM 934 O HIS A 61 4.395 -7.558 9.610 1.00 10.00 O ATOM 935 CB HIS A 61 3.152 -9.621 8.298 1.00 10.00 C ATOM 936 CG HIS A 61 2.696 -10.959 7.769 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.527 -11.628 8.064 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.411 -11.747 6.909 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.541 -12.783 7.377 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.669 -12.902 6.656 1.00 10.00 N ATOM 0 H HIS A 61 0.994 -8.868 9.244 1.00 10.00 H new ATOM 0 HA HIS A 61 3.297 -10.312 10.310 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.632 -8.832 7.755 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.215 -9.504 8.090 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.788 -11.306 8.689 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.382 -11.515 6.497 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.750 -13.518 7.401 1.00 10.00 H new ATOM 948 N GLY A 62 3.432 -7.897 11.631 1.00 10.00 N ATOM 949 CA GLY A 62 3.926 -6.758 12.407 1.00 10.00 C ATOM 950 C GLY A 62 5.152 -6.047 11.838 1.00 10.00 C ATOM 951 O GLY A 62 6.267 -6.247 12.315 1.00 10.00 O ATOM 0 H GLY A 62 2.841 -8.499 12.204 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.120 -6.031 12.503 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.164 -7.104 13.413 1.00 10.00 H new ATOM 955 N HIS A 63 4.930 -5.179 10.852 1.00 10.00 N ATOM 956 CA HIS A 63 6.001 -4.555 10.093 1.00 10.00 C ATOM 957 C HIS A 63 6.861 -3.627 10.957 1.00 10.00 C ATOM 958 O HIS A 63 6.343 -2.862 11.775 1.00 10.00 O ATOM 959 CB HIS A 63 5.390 -3.825 8.899 1.00 10.00 C ATOM 960 CG HIS A 63 5.148 -4.736 7.723 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.151 -5.675 7.590 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.889 -4.755 6.577 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.282 -6.229 6.368 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.324 -5.688 5.706 1.00 10.00 N ATOM 0 H HIS A 63 3.996 -4.891 10.560 1.00 10.00 H new ATOM 0 HA HIS A 63 6.681 -5.328 9.734 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.447 -3.369 9.201 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.053 -3.015 8.596 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.444 -5.909 8.287 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.762 -4.152 6.378 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.639 -7.002 5.973 1.00 10.00 H new ATOM 972 N SER A 64 8.181 -3.693 10.775 1.00 10.00 N ATOM 973 CA SER A 64 9.157 -2.978 11.583 1.00 10.00 C ATOM 974 C SER A 64 9.058 -1.462 11.395 1.00 10.00 C ATOM 975 O SER A 64 8.493 -0.973 10.414 1.00 10.00 O ATOM 976 CB SER A 64 10.564 -3.492 11.248 1.00 10.00 C ATOM 977 OG SER A 64 10.594 -4.896 11.420 1.00 10.00 O ATOM 0 H SER A 64 8.606 -4.261 10.042 1.00 10.00 H new ATOM 0 HA SER A 64 8.945 -3.170 12.635 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.825 -3.233 10.222 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.302 -3.018 11.895 1.00 10.00 H new ATOM 0 HG SER A 64 10.027 -5.321 10.743 1.00 10.00 H new ATOM 983 N THR A 65 9.634 -0.711 12.342 1.00 10.00 N ATOM 984 CA THR A 65 9.686 0.747 12.289 1.00 10.00 C ATOM 985 C THR A 65 10.252 1.238 10.966 1.00 10.00 C ATOM 986 O THR A 65 9.884 2.313 10.526 1.00 10.00 O ATOM 987 CB THR A 65 10.477 1.324 13.463 1.00 10.00 C ATOM 988 OG1 THR A 65 10.355 2.733 13.509 1.00 10.00 O ATOM 989 CG2 THR A 65 11.958 0.926 13.480 1.00 10.00 C ATOM 0 H THR A 65 10.079 -1.105 13.171 1.00 10.00 H new ATOM 0 HA THR A 65 8.660 1.105 12.368 1.00 10.00 H new ATOM 0 HB THR A 65 10.031 0.882 14.354 1.00 10.00 H new ATOM 0 HG1 THR A 65 10.867 3.081 14.268 1.00 10.00 H new ATOM 0 HG21 THR A 65 12.446 1.377 14.344 1.00 10.00 H new ATOM 0 HG22 THR A 65 12.042 -0.159 13.541 1.00 10.00 H new ATOM 0 HG23 THR A 65 12.440 1.277 12.567 1.00 10.00 H new ATOM 997 N ASP A 66 11.148 0.477 10.350 1.00 10.00 N ATOM 998 CA ASP A 66 11.748 0.767 9.060 1.00 10.00 C ATOM 999 C ASP A 66 10.642 0.909 8.010 1.00 10.00 C ATOM 1000 O ASP A 66 10.493 1.939 7.352 1.00 10.00 O ATOM 1001 CB ASP A 66 12.714 -0.381 8.702 1.00 10.00 C ATOM 1002 CG ASP A 66 13.583 -0.817 9.879 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.976 -1.330 10.851 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.810 -0.605 9.801 1.00 10.00 O ATOM 0 H ASP A 66 11.489 -0.395 10.755 1.00 10.00 H new ATOM 0 HA ASP A 66 12.307 1.702 9.092 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.138 -1.235 8.346 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.357 -0.065 7.880 1.00 10.00 H new ATOM 1009 N ALA A 67 9.838 -0.147 7.887 1.00 10.00 N ATOM 1010 CA ALA A 67 8.749 -0.276 6.942 1.00 10.00 C ATOM 1011 C ALA A 67 7.664 0.747 7.264 1.00 10.00 C ATOM 1012 O ALA A 67 7.078 1.351 6.372 1.00 10.00 O ATOM 1013 CB ALA A 67 8.192 -1.697 7.026 1.00 10.00 C ATOM 0 H ALA A 67 9.941 -0.972 8.477 1.00 10.00 H new ATOM 0 HA ALA A 67 9.105 -0.089 5.929 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.370 -1.808 6.319 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.979 -2.411 6.783 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.829 -1.886 8.036 1.00 10.00 H new ATOM 1019 N ARG A 68 7.394 0.933 8.552 1.00 10.00 N ATOM 1020 CA ARG A 68 6.472 1.936 9.057 1.00 10.00 C ATOM 1021 C ARG A 68 6.917 3.353 8.660 1.00 10.00 C ATOM 1022 O ARG A 68 6.154 4.078 8.021 1.00 10.00 O ATOM 1023 CB ARG A 68 6.328 1.714 10.567 1.00 10.00 C ATOM 1024 CG ARG A 68 5.130 0.795 10.840 1.00 10.00 C ATOM 1025 CD ARG A 68 5.064 0.357 12.306 1.00 10.00 C ATOM 1026 NE ARG A 68 3.717 -0.137 12.643 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.380 -1.316 13.194 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.251 -2.318 13.320 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.135 -1.480 13.629 1.00 10.00 N ATOM 0 H ARG A 68 7.823 0.374 9.290 1.00 10.00 H new ATOM 0 HA ARG A 68 5.485 1.833 8.606 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.239 1.270 10.968 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.190 2.669 11.074 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.208 1.313 10.575 1.00 10.00 H new ATOM 0 HG3 ARG A 68 5.196 -0.086 10.201 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.800 -0.425 12.490 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.321 1.196 12.953 1.00 10.00 H new ATOM 0 HE ARG A 68 2.944 0.494 12.432 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.210 -2.204 12.993 1.00 10.00 H new ATOM 0 HH12 ARG A 68 3.958 -3.198 13.744 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.460 -0.721 13.541 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.855 -2.365 14.051 1.00 10.00 H new ATOM 1043 N GLU A 69 8.145 3.758 8.980 1.00 10.00 N ATOM 1044 CA GLU A 69 8.727 5.010 8.494 1.00 10.00 C ATOM 1045 C GLU A 69 8.526 5.133 6.979 1.00 10.00 C ATOM 1046 O GLU A 69 7.976 6.122 6.479 1.00 10.00 O ATOM 1047 CB GLU A 69 10.213 5.090 8.890 1.00 10.00 C ATOM 1048 CG GLU A 69 10.707 6.535 9.067 1.00 10.00 C ATOM 1049 CD GLU A 69 10.011 7.243 10.221 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.687 6.582 11.235 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.666 8.436 10.075 1.00 10.00 O ATOM 0 H GLU A 69 8.768 3.225 9.587 1.00 10.00 H new ATOM 0 HA GLU A 69 8.218 5.854 8.960 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.366 4.542 9.820 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.815 4.596 8.127 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.783 6.531 9.242 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.536 7.091 8.145 1.00 10.00 H new ATOM 1058 N LEU A 70 8.906 4.080 6.250 1.00 10.00 N ATOM 1059 CA LEU A 70 8.665 4.013 4.816 1.00 10.00 C ATOM 1060 C LEU A 70 7.197 4.309 4.477 1.00 10.00 C ATOM 1061 O LEU A 70 6.904 5.088 3.574 1.00 10.00 O ATOM 1062 CB LEU A 70 9.121 2.660 4.230 1.00 10.00 C ATOM 1063 CG LEU A 70 10.437 2.677 3.433 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.627 3.941 2.586 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.633 2.478 4.366 1.00 10.00 C ATOM 0 H LEU A 70 9.382 3.264 6.635 1.00 10.00 H new ATOM 0 HA LEU A 70 9.268 4.790 4.347 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.225 1.949 5.049 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.331 2.284 3.580 1.00 10.00 H new ATOM 0 HG LEU A 70 10.376 1.845 2.732 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.576 3.882 2.053 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.811 4.024 1.868 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.629 4.817 3.235 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.555 2.493 3.784 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.656 3.280 5.104 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.541 1.519 4.876 1.00 10.00 H new ATOM 1077 N SER A 71 6.258 3.728 5.224 1.00 10.00 N ATOM 1078 CA SER A 71 4.837 3.909 4.985 1.00 10.00 C ATOM 1079 C SER A 71 4.457 5.387 5.083 1.00 10.00 C ATOM 1080 O SER A 71 3.636 5.857 4.300 1.00 10.00 O ATOM 1081 CB SER A 71 4.006 2.975 5.887 1.00 10.00 C ATOM 1082 OG SER A 71 3.665 3.553 7.129 1.00 10.00 O ATOM 0 H SER A 71 6.469 3.117 6.013 1.00 10.00 H new ATOM 0 HA SER A 71 4.597 3.613 3.964 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.093 2.693 5.363 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.568 2.058 6.063 1.00 10.00 H new ATOM 0 HG SER A 71 4.480 3.723 7.645 1.00 10.00 H new ATOM 1088 N LYS A 72 5.101 6.135 5.985 1.00 10.00 N ATOM 1089 CA LYS A 72 4.887 7.577 6.057 1.00 10.00 C ATOM 1090 C LYS A 72 5.265 8.203 4.726 1.00 10.00 C ATOM 1091 O LYS A 72 4.448 8.866 4.096 1.00 10.00 O ATOM 1092 CB LYS A 72 5.709 8.234 7.173 1.00 10.00 C ATOM 1093 CG LYS A 72 5.589 7.507 8.510 1.00 10.00 C ATOM 1094 CD LYS A 72 6.377 8.300 9.559 1.00 10.00 C ATOM 1095 CE LYS A 72 6.541 7.533 10.880 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.661 8.074 11.677 1.00 10.00 N ATOM 0 H LYS A 72 5.766 5.768 6.666 1.00 10.00 H new ATOM 0 HA LYS A 72 3.833 7.744 6.281 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.757 8.264 6.875 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.383 9.267 7.297 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.543 7.423 8.804 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.980 6.493 8.428 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.362 8.544 9.160 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.868 9.245 9.752 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.618 7.595 11.456 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.716 6.478 10.671 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 8.253 7.291 12.020 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 8.234 8.708 11.085 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 7.285 8.604 12.489 1.00 10.00 H new ATOM 1110 N THR A 73 6.503 7.982 4.283 1.00 10.00 N ATOM 1111 CA THR A 73 6.934 8.610 3.034 1.00 10.00 C ATOM 1112 C THR A 73 6.148 8.092 1.824 1.00 10.00 C ATOM 1113 O THR A 73 6.124 8.763 0.794 1.00 10.00 O ATOM 1114 CB THR A 73 8.458 8.591 2.825 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.791 9.537 1.828 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.022 7.239 2.399 1.00 10.00 C ATOM 0 H THR A 73 7.199 7.399 4.747 1.00 10.00 H new ATOM 0 HA THR A 73 6.685 9.667 3.131 1.00 10.00 H new ATOM 0 HB THR A 73 8.898 8.825 3.794 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.040 9.634 1.205 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.102 7.318 2.275 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.798 6.494 3.163 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.569 6.937 1.454 1.00 10.00 H new ATOM 1124 N PHE A 74 5.522 6.915 1.935 1.00 10.00 N ATOM 1125 CA PHE A 74 4.645 6.362 0.911 1.00 10.00 C ATOM 1126 C PHE A 74 3.207 6.866 0.994 1.00 10.00 C ATOM 1127 O PHE A 74 2.414 6.526 0.113 1.00 10.00 O ATOM 1128 CB PHE A 74 4.636 4.838 1.004 1.00 10.00 C ATOM 1129 CG PHE A 74 5.967 4.135 0.829 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.023 4.713 0.094 1.00 10.00 C ATOM 1131 CD2 PHE A 74 6.102 2.832 1.329 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.230 4.014 -0.067 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.242 2.080 1.014 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.340 2.702 0.419 1.00 10.00 C ATOM 0 H PHE A 74 5.616 6.315 2.754 1.00 10.00 H new ATOM 0 HA PHE A 74 5.049 6.699 -0.044 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.230 4.559 1.976 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.948 4.456 0.250 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.903 5.693 -0.345 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.330 2.409 1.955 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.068 4.483 -0.561 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.270 1.022 1.231 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.277 2.172 0.332 1.00 10.00 H new ATOM 1144 N ILE A 75 2.845 7.640 2.023 1.00 10.00 N ATOM 1145 CA ILE A 75 1.557 8.334 2.019 1.00 10.00 C ATOM 1146 C ILE A 75 1.398 9.139 0.728 1.00 10.00 C ATOM 1147 O ILE A 75 2.280 9.917 0.372 1.00 10.00 O ATOM 1148 CB ILE A 75 1.399 9.255 3.245 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.136 8.477 4.537 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.294 10.312 3.049 1.00 10.00 C ATOM 1151 CD1 ILE A 75 -0.115 7.608 4.508 1.00 10.00 C ATOM 0 H ILE A 75 3.415 7.799 2.854 1.00 10.00 H new ATOM 0 HA ILE A 75 0.773 7.579 2.072 1.00 10.00 H new ATOM 0 HB ILE A 75 2.357 9.767 3.341 1.00 10.00 H new ATOM 0 HG12 ILE A 75 1.998 7.844 4.747 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.052 9.185 5.362 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.224 10.935 3.941 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.536 10.936 2.189 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.660 9.814 2.878 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -0.223 7.094 5.463 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.989 8.235 4.332 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.029 6.873 3.708 1.00 10.00 H new ATOM 1163 N ILE A 76 0.256 8.974 0.053 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.054 9.706 -1.173 1.00 10.00 C ATOM 1165 C ILE A 76 -1.488 10.240 -1.204 1.00 10.00 C ATOM 1166 O ILE A 76 -1.886 10.800 -2.221 1.00 10.00 O ATOM 1167 CB ILE A 76 0.153 8.789 -2.390 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.585 7.458 -2.173 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.642 8.574 -2.690 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.218 6.951 -3.463 1.00 10.00 C ATOM 0 H ILE A 76 -0.478 8.328 0.344 1.00 10.00 H new ATOM 0 HA ILE A 76 0.621 10.562 -1.204 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.271 9.277 -3.268 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.113 6.712 -1.792 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.357 7.589 -1.415 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.748 7.921 -3.556 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.113 9.534 -2.900 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.124 8.114 -1.828 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.731 6.008 -3.271 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.935 7.686 -3.830 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.442 6.796 -4.212 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.301 10.025 -0.169 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.744 10.097 -0.359 1.00 10.00 C ATOM 1184 C GLY A 77 -4.445 9.399 0.778 1.00 10.00 C ATOM 1185 O GLY A 77 -3.790 8.932 1.714 1.00 10.00 O ATOM 0 H GLY A 77 -1.995 9.807 0.779 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.062 11.138 -0.409 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.019 9.634 -1.307 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.771 9.311 0.673 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.601 8.766 1.713 1.00 10.00 C ATOM 1191 C GLU A 78 -7.825 8.078 1.107 1.00 10.00 C ATOM 1192 O GLU A 78 -8.205 8.366 -0.016 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.043 9.920 2.619 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.936 10.805 3.233 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.250 11.831 2.322 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.789 12.161 1.240 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.177 12.311 2.739 1.00 10.00 O ATOM 0 H GLU A 78 -6.290 9.622 -0.148 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.045 8.025 2.287 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.709 10.564 2.044 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.631 9.501 3.436 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.368 11.343 4.077 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.166 10.147 3.635 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.439 7.179 1.863 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.612 6.380 1.511 1.00 10.00 C ATOM 1206 C LEU A 79 -10.862 7.258 1.480 1.00 10.00 C ATOM 1207 O LEU A 79 -11.322 7.696 2.534 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.704 5.259 2.564 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.854 4.250 2.478 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -12.157 4.753 3.111 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.062 3.794 1.038 1.00 10.00 C ATOM 0 H LEU A 79 -8.110 6.972 2.806 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.529 5.946 0.515 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.770 4.697 2.529 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.754 5.732 3.545 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.558 3.387 3.075 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.928 3.988 3.014 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.990 4.968 4.166 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -12.481 5.661 2.603 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.883 3.078 0.998 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -11.301 4.655 0.415 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.151 3.322 0.671 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.393 7.566 0.290 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.426 8.585 0.157 1.00 10.00 C ATOM 1225 C HIS A 80 -13.737 8.221 0.863 1.00 10.00 C ATOM 1226 O HIS A 80 -14.422 7.318 0.409 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.721 8.858 -1.315 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.643 10.033 -1.469 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.017 10.011 -1.387 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.238 11.318 -1.255 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.422 11.265 -1.119 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.372 12.098 -1.023 1.00 10.00 N ATOM 0 H HIS A 80 -11.122 7.123 -0.588 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.027 9.476 0.642 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.789 9.050 -1.847 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.171 7.975 -1.769 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.217 11.671 -1.264 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.453 11.563 -0.997 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.398 13.098 -0.821 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.184 8.949 1.893 1.00 10.00 N ATOM 1241 CA PRO A 81 -15.240 8.497 2.787 1.00 10.00 C ATOM 1242 C PRO A 81 -16.605 8.099 2.256 1.00 10.00 C ATOM 1243 O PRO A 81 -17.400 7.523 2.996 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.506 9.704 3.673 1.00 10.00 C ATOM 1245 CG PRO A 81 -14.157 10.399 3.800 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.532 10.128 2.438 1.00 10.00 C ATOM 0 HA PRO A 81 -14.855 7.568 3.208 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.251 10.364 3.229 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.889 9.402 4.648 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.264 11.466 3.995 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.560 9.985 4.613 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -13.667 10.983 1.776 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.458 9.965 2.533 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.886 8.439 1.011 1.00 10.00 N ATOM 1255 CA ASP A 82 -18.081 7.972 0.324 1.00 10.00 C ATOM 1256 C ASP A 82 -18.079 6.434 0.231 1.00 10.00 C ATOM 1257 O ASP A 82 -19.108 5.808 -0.007 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.147 8.636 -1.056 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.496 8.425 -1.728 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.498 8.880 -1.136 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.487 7.877 -2.850 1.00 10.00 O ATOM 0 H ASP A 82 -16.293 9.047 0.446 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.974 8.252 0.884 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -17.957 9.704 -0.953 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.359 8.231 -1.691 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.889 5.854 0.440 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.565 4.471 0.671 1.00 10.00 C ATOM 1268 C ASP A 83 -17.172 4.007 2.009 1.00 10.00 C ATOM 1269 O ASP A 83 -18.362 4.172 2.268 1.00 10.00 O ATOM 1270 CB ASP A 83 -15.022 4.486 0.691 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.413 3.108 0.533 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.200 2.702 -0.626 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -14.162 2.509 1.598 1.00 10.00 O ATOM 0 H ASP A 83 -16.044 6.425 0.449 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.958 3.779 -0.074 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.660 5.131 -0.110 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.681 4.922 1.630 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.304 3.506 2.884 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.552 3.078 4.252 1.00 10.00 C ATOM 1280 C ARG A 84 -17.701 2.066 4.372 1.00 10.00 C ATOM 1281 O ARG A 84 -18.545 2.265 5.278 1.00 10.00 O ATOM 1282 CB ARG A 84 -16.809 4.303 5.126 1.00 10.00 C ATOM 1283 CG ARG A 84 -15.669 5.324 5.089 1.00 10.00 C ATOM 1284 CD ARG A 84 -16.066 6.586 5.862 1.00 10.00 C ATOM 1285 NE ARG A 84 -16.365 6.280 7.270 1.00 10.00 N ATOM 1286 CZ ARG A 84 -17.568 5.967 7.782 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -18.659 5.962 7.007 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -17.667 5.642 9.075 1.00 10.00 N ATOM 1289 OXT ARG A 84 -17.695 1.085 3.599 1.00 10.00 O ATOM 0 H ARG A 84 -15.325 3.379 2.628 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.661 2.555 4.598 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -17.730 4.786 4.801 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -16.965 3.980 6.155 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.768 4.891 5.523 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.433 5.580 4.056 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -15.258 7.316 5.810 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -16.938 7.042 5.394 1.00 10.00 H new ATOM 0 HE ARG A 84 -15.581 6.308 7.922 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -18.583 6.197 6.017 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -19.567 5.723 7.406 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -16.834 5.633 9.664 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -18.575 5.403 9.473 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 5.925 -5.970 3.844 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.418 -8.130 4.987 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.195 -3.324 4.021 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.385 -3.776 3.139 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.794 -8.690 3.440 1.00 10.00 C HETATM 1309 NA HEM A 201 7.937 -5.764 4.400 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.725 -6.775 4.871 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.973 -6.185 5.296 1.00 10.00 C HETATM 1312 C3A HEM A 201 9.964 -4.872 4.884 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.636 -4.588 4.401 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.115 -3.895 4.963 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.996 -6.837 6.204 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.499 -6.965 7.651 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.212 -5.616 8.310 1.00 10.00 C HETATM 1318 O1A HEM A 201 10.928 -4.642 8.000 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.295 -5.582 9.159 1.00 10.00 O HETATM 1320 NB HEM A 201 5.828 -3.944 3.543 1.00 10.00 N HETATM 1321 C1B HEM A 201 6.878 -3.063 3.653 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.376 -1.739 3.380 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.022 -1.878 3.183 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.674 -3.270 3.273 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.179 -0.466 3.432 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.026 -0.764 2.939 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.916 0.267 3.796 1.00 10.00 C HETATM 1328 NC HEM A 201 3.946 -6.189 3.373 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.089 -5.136 3.173 1.00 10.00 C HETATM 1330 C2C HEM A 201 1.763 -5.684 3.034 1.00 10.00 C HETATM 1331 C3C HEM A 201 1.915 -7.047 2.983 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.282 -7.389 3.282 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.457 -4.929 3.041 1.00 10.00 C HETATM 1334 CAC HEM A 201 0.763 -8.015 2.851 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.782 -9.017 1.946 1.00 10.00 C HETATM 1336 ND HEM A 201 6.083 -8.046 4.140 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.100 -8.950 3.856 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.649 -10.270 4.073 1.00 10.00 C HETATM 1339 C3D HEM A 201 6.940 -10.104 4.523 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.202 -8.686 4.579 1.00 10.00 C HETATM 1341 CMD HEM A 201 4.952 -11.588 3.824 1.00 10.00 C HETATM 1342 CAD HEM A 201 7.967 -11.182 4.774 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.324 -11.341 6.259 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.804 -11.673 6.405 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.097 -12.826 6.786 1.00 10.00 O HETATM 1346 O2D HEM A 201 10.611 -10.765 6.111 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.017 -3.152 4.171 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.056 -4.431 4.843 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.103 -3.396 5.932 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 7.975 -0.568 4.170 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.529 0.363 3.711 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.616 -0.271 2.452 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -0.270 -5.454 2.422 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.614 -3.926 2.644 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.082 -4.860 4.062 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.879 -11.465 3.970 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.330 -12.337 4.520 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.144 -11.914 2.802 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.193 1.060 3.604 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.549 0.309 4.682 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.063 -9.701 1.873 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.643 -9.142 1.289 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.246 -7.498 8.239 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.592 -7.569 7.665 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.916 -6.252 6.189 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.241 -7.827 5.818 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 7.720 -12.131 6.705 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.094 -10.422 6.798 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 8.872 -10.951 4.212 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.589 -12.131 4.394 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.161 -8.786 5.416 1.00 10.00 H new HETATM 0 HHB HEM A 201 8.905 -2.510 4.011 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.572 -3.078 3.002 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.145 -9.527 3.229 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.388 -0.798 2.056 1.00 10.00 H new HETATM 0 HAC HEM A 201 -0.104 -7.902 3.502 1.00 10.00 H new