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 49 GLN : amide:sc= 0.43 K(o=-0.0048,f=-5.8) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.435 K(o=-0.0048,f=-4.7!) USER MOD Set 2.1: A 15 HIS : no HE2:sc= 0.72 K(o=2.8,f=-7.3!) USER MOD Set 2.2: A 20 SER OG : rot 126:sc= 2.11 USER MOD Set 3.1: A 16 ASN : amide:sc= 1.96 K(o=3.1,f=-3.2) USER MOD Set 3.2: A 17 ASN : amide:sc= 1.14 K(o=3.1,f=-2.4!) USER MOD Set 4.1: A 13 GLN : amide:sc= -8.15! K(o=-13!,f=3.7) USER MOD Set 4.2: A 14 LYS NZ :NH3+ 155:sc= -4.35! (180deg=1.96) 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 45:sc= 1.14 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0671 USER MOD Single : A 18 SER OG : rot -57:sc= 0.363 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 95:sc= -1.67 USER MOD Single : A 26 HIS : no HE2:sc= -0.246 X(o=-0.25,f=-0.035) 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 33:sc= 1.15 USER MOD Single : A 33 THR OG1 : rot 91:sc= 1.95 USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= 1.19 (180deg=0.895) USER MOD Single : A 55 THR OG1 : rot 12:sc= 1.59 USER MOD Single : A 61 HIS : no HE2:sc= 1.26 K(o=1.3,f=-4.4!) USER MOD Single : A 64 SER OG : rot -131:sc= 1.95 USER MOD Single : A 65 THR OG1 : rot 61:sc= 1.32 USER MOD Single : A 71 SER OG : rot -52:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0.316 (180deg=0.0272) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 80 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-0.98) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.918 (180deg=-0.93) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -1.89 (180deg=-6.1!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.471 (180deg=-0.471) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.0685 (180deg=-0.534) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -4.948 20.803 2.330 1.00 10.00 N ATOM 2 CA ALA A 3 -5.438 19.880 3.369 1.00 10.00 C ATOM 3 C ALA A 3 -5.088 18.466 2.909 1.00 10.00 C ATOM 4 O ALA A 3 -4.156 18.336 2.113 1.00 10.00 O ATOM 5 CB ALA A 3 -6.940 20.087 3.609 1.00 10.00 C ATOM 0 HA ALA A 3 -4.965 20.067 4.333 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -7.284 19.397 4.379 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -7.119 21.112 3.934 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -7.485 19.899 2.684 1.00 10.00 H new ATOM 13 N VAL A 4 -5.840 17.449 3.340 1.00 10.00 N ATOM 14 CA VAL A 4 -5.853 16.161 2.658 1.00 10.00 C ATOM 15 C VAL A 4 -6.318 16.364 1.210 1.00 10.00 C ATOM 16 O VAL A 4 -6.802 17.445 0.866 1.00 10.00 O ATOM 17 CB VAL A 4 -6.748 15.161 3.413 1.00 10.00 C ATOM 18 CG1 VAL A 4 -6.213 14.901 4.825 1.00 10.00 C ATOM 19 CG2 VAL A 4 -8.223 15.573 3.473 1.00 10.00 C ATOM 0 H VAL A 4 -6.446 17.497 4.159 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.848 15.740 2.641 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.709 14.239 2.833 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.864 14.191 5.336 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.206 14.489 4.762 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.188 15.837 5.383 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.789 14.819 4.020 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.312 16.533 3.981 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.618 15.660 2.461 1.00 10.00 H new ATOM 29 N LYS A 5 -6.156 15.349 0.360 1.00 10.00 N ATOM 30 CA LYS A 5 -6.634 15.402 -1.020 1.00 10.00 C ATOM 31 C LYS A 5 -7.911 14.581 -1.083 1.00 10.00 C ATOM 32 O LYS A 5 -8.958 15.044 -1.528 1.00 10.00 O ATOM 33 CB LYS A 5 -5.594 14.797 -1.977 1.00 10.00 C ATOM 34 CG LYS A 5 -4.362 15.674 -2.233 1.00 10.00 C ATOM 35 CD LYS A 5 -3.437 15.751 -1.012 1.00 10.00 C ATOM 36 CE LYS A 5 -2.071 16.322 -1.407 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.159 16.391 -0.248 1.00 10.00 N ATOM 0 H LYS A 5 -5.693 14.474 0.607 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.808 16.436 -1.319 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.263 13.841 -1.572 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.078 14.589 -2.931 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -3.806 15.277 -3.082 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.685 16.679 -2.505 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.891 16.377 -0.244 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -3.311 14.758 -0.581 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.627 15.701 -2.185 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.200 17.318 -1.830 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.244 16.782 -0.549 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.573 17.004 0.483 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.017 15.436 0.139 1.00 10.00 H new ATOM 51 N TYR A 6 -7.770 13.350 -0.607 1.00 10.00 N ATOM 52 CA TYR A 6 -8.707 12.267 -0.684 1.00 10.00 C ATOM 53 C TYR A 6 -8.844 11.709 -2.091 1.00 10.00 C ATOM 54 O TYR A 6 -8.806 12.407 -3.100 1.00 10.00 O ATOM 55 CB TYR A 6 -10.052 12.540 -0.022 1.00 10.00 C ATOM 56 CG TYR A 6 -10.078 13.115 1.375 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.066 12.704 2.245 1.00 10.00 C ATOM 58 CD2 TYR A 6 -11.325 13.462 1.928 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.427 12.098 3.450 1.00 10.00 C ATOM 60 CE2 TYR A 6 -11.578 13.196 3.287 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.669 12.409 4.019 1.00 10.00 C ATOM 62 OH TYR A 6 -10.984 11.935 5.257 1.00 10.00 O ATOM 0 H TYR A 6 -6.919 13.074 -0.117 1.00 10.00 H new ATOM 0 HA TYR A 6 -8.263 11.479 -0.076 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.605 13.222 -0.669 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.605 11.601 -0.002 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -8.027 12.852 1.991 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -12.082 13.929 1.315 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -8.760 11.401 3.935 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -12.462 13.592 3.764 1.00 10.00 H new ATOM 0 HH TYR A 6 -11.881 12.242 5.507 1.00 10.00 H new ATOM 72 N TYR A 7 -8.908 10.387 -2.098 1.00 10.00 N ATOM 73 CA TYR A 7 -8.576 9.501 -3.170 1.00 10.00 C ATOM 74 C TYR A 7 -9.588 8.359 -3.118 1.00 10.00 C ATOM 75 O TYR A 7 -9.858 7.774 -2.072 1.00 10.00 O ATOM 76 CB TYR A 7 -7.159 9.048 -2.845 1.00 10.00 C ATOM 77 CG TYR A 7 -6.073 9.825 -3.558 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.599 11.022 -2.990 1.00 10.00 C ATOM 79 CD2 TYR A 7 -5.525 9.371 -4.769 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.424 11.608 -3.481 1.00 10.00 C ATOM 81 CE2 TYR A 7 -4.370 9.987 -5.286 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.767 11.041 -4.581 1.00 10.00 C ATOM 83 OH TYR A 7 -2.472 11.377 -4.831 1.00 10.00 O ATOM 0 H TYR A 7 -9.223 9.875 -1.274 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.612 9.929 -4.172 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -7.002 9.132 -1.770 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.061 7.993 -3.100 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.139 11.488 -2.179 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -5.988 8.553 -5.301 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.026 12.496 -3.012 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -3.949 9.650 -6.222 1.00 10.00 H new ATOM 0 HH TYR A 7 -1.960 11.351 -3.996 1.00 10.00 H new ATOM 93 N THR A 8 -10.225 8.105 -4.247 1.00 10.00 N ATOM 94 CA THR A 8 -11.476 7.367 -4.309 1.00 10.00 C ATOM 95 C THR A 8 -11.209 5.887 -4.553 1.00 10.00 C ATOM 96 O THR A 8 -10.357 5.572 -5.374 1.00 10.00 O ATOM 97 CB THR A 8 -12.299 7.962 -5.453 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.455 8.184 -6.564 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.855 9.321 -5.039 1.00 10.00 C ATOM 0 H THR A 8 -9.884 8.409 -5.159 1.00 10.00 H new ATOM 0 HA THR A 8 -12.018 7.448 -3.367 1.00 10.00 H new ATOM 0 HB THR A 8 -13.107 7.272 -5.697 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.977 8.564 -7.301 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.440 9.740 -5.858 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.491 9.202 -4.162 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.031 9.994 -4.801 1.00 10.00 H new ATOM 107 N LEU A 9 -11.950 4.975 -3.914 1.00 10.00 N ATOM 108 CA LEU A 9 -11.797 3.540 -4.148 1.00 10.00 C ATOM 109 C LEU A 9 -11.786 3.195 -5.634 1.00 10.00 C ATOM 110 O LEU A 9 -10.988 2.361 -6.048 1.00 10.00 O ATOM 111 CB LEU A 9 -12.810 2.753 -3.313 1.00 10.00 C ATOM 112 CG LEU A 9 -12.940 1.253 -3.629 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.413 0.504 -2.377 1.00 10.00 C ATOM 114 CD2 LEU A 9 -13.954 0.976 -4.749 1.00 10.00 C ATOM 0 H LEU A 9 -12.666 5.211 -3.227 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.813 3.227 -3.800 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.541 2.858 -2.262 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.789 3.215 -3.440 1.00 10.00 H new ATOM 0 HG LEU A 9 -11.957 0.912 -3.954 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.505 -0.559 -2.602 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.689 0.644 -1.574 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.382 0.894 -2.064 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.008 -0.097 -4.934 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -14.936 1.343 -4.450 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.638 1.485 -5.660 1.00 10.00 H new ATOM 126 N GLU A 10 -12.596 3.891 -6.441 1.00 10.00 N ATOM 127 CA GLU A 10 -12.512 3.850 -7.895 1.00 10.00 C ATOM 128 C GLU A 10 -11.047 3.839 -8.345 1.00 10.00 C ATOM 129 O GLU A 10 -10.587 2.854 -8.919 1.00 10.00 O ATOM 130 CB GLU A 10 -13.268 5.053 -8.481 1.00 10.00 C ATOM 131 CG GLU A 10 -13.324 5.045 -10.016 1.00 10.00 C ATOM 132 CD GLU A 10 -14.017 3.808 -10.570 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.261 3.773 -10.505 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.282 2.900 -11.020 1.00 10.00 O ATOM 0 H GLU A 10 -13.334 4.503 -6.093 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.975 2.934 -8.263 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.284 5.062 -8.087 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.789 5.973 -8.146 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.848 5.936 -10.361 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.310 5.098 -10.413 1.00 10.00 H new ATOM 141 N GLU A 11 -10.318 4.907 -8.021 1.00 10.00 N ATOM 142 CA GLU A 11 -8.898 5.072 -8.301 1.00 10.00 C ATOM 143 C GLU A 11 -8.111 3.961 -7.625 1.00 10.00 C ATOM 144 O GLU A 11 -7.232 3.335 -8.219 1.00 10.00 O ATOM 145 CB GLU A 11 -8.396 6.404 -7.710 1.00 10.00 C ATOM 146 CG GLU A 11 -8.967 7.657 -8.376 1.00 10.00 C ATOM 147 CD GLU A 11 -8.237 7.964 -9.676 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.651 7.398 -10.710 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.262 8.742 -9.600 1.00 10.00 O ATOM 0 H GLU A 11 -10.719 5.710 -7.537 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.759 5.051 -9.382 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.642 6.430 -6.648 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.309 6.432 -7.786 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.029 7.515 -8.576 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.881 8.505 -7.697 1.00 10.00 H new ATOM 156 N ILE A 12 -8.374 3.770 -6.333 1.00 10.00 N ATOM 157 CA ILE A 12 -7.463 2.998 -5.521 1.00 10.00 C ATOM 158 C ILE A 12 -7.428 1.543 -5.986 1.00 10.00 C ATOM 159 O ILE A 12 -6.355 0.949 -6.037 1.00 10.00 O ATOM 160 CB ILE A 12 -7.753 3.140 -4.014 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.738 4.605 -3.529 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.687 2.365 -3.236 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.528 4.783 -2.230 1.00 10.00 C ATOM 0 H ILE A 12 -9.192 4.133 -5.844 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.462 3.407 -5.661 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.755 2.747 -3.840 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.708 4.926 -3.375 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.160 5.248 -4.302 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.879 2.456 -2.167 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.720 1.314 -3.522 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.702 2.772 -3.464 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.492 5.828 -1.923 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.565 4.487 -2.391 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.090 4.160 -1.450 1.00 10.00 H new ATOM 175 N GLN A 13 -8.582 0.990 -6.376 1.00 10.00 N ATOM 176 CA GLN A 13 -8.659 -0.372 -6.897 1.00 10.00 C ATOM 177 C GLN A 13 -7.751 -0.449 -8.115 1.00 10.00 C ATOM 178 O GLN A 13 -6.923 -1.340 -8.277 1.00 10.00 O ATOM 179 CB GLN A 13 -10.061 -0.665 -7.456 1.00 10.00 C ATOM 180 CG GLN A 13 -11.208 -0.964 -6.494 1.00 10.00 C ATOM 181 CD GLN A 13 -12.493 -1.202 -7.288 1.00 10.00 C ATOM 182 OE1 GLN A 13 -13.395 -1.862 -6.733 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.544 -0.737 -8.454 1.00 10.00 N ATOM 0 H GLN A 13 -9.480 1.472 -6.339 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.398 -1.060 -6.093 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.357 0.192 -8.060 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.972 -1.516 -8.132 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.972 -1.842 -5.892 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.344 -0.131 -5.804 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.756 -0.207 -8.827 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.373 -0.889 -9.028 1.00 10.00 H new ATOM 190 N LYS A 14 -8.014 0.503 -9.005 1.00 10.00 N ATOM 191 CA LYS A 14 -7.399 0.701 -10.294 1.00 10.00 C ATOM 192 C LYS A 14 -5.878 0.644 -10.134 1.00 10.00 C ATOM 193 O LYS A 14 -5.192 -0.087 -10.850 1.00 10.00 O ATOM 194 CB LYS A 14 -7.918 2.056 -10.805 1.00 10.00 C ATOM 195 CG LYS A 14 -8.666 2.029 -12.144 1.00 10.00 C ATOM 196 CD LYS A 14 -10.199 1.911 -11.984 1.00 10.00 C ATOM 197 CE LYS A 14 -10.725 0.631 -11.297 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.798 0.929 -10.324 1.00 10.00 N ATOM 0 H LYS A 14 -8.724 1.211 -8.818 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.650 -0.070 -11.022 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.582 2.477 -10.049 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.071 2.735 -10.899 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.434 2.937 -12.700 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.304 1.190 -12.738 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.550 2.772 -11.415 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.651 1.977 -12.974 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.101 -0.058 -12.053 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -9.903 0.128 -10.788 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.400 0.090 -10.204 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.375 1.186 -9.409 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.374 1.721 -10.674 1.00 10.00 H new ATOM 212 N HIS A 15 -5.355 1.359 -9.136 1.00 10.00 N ATOM 213 CA HIS A 15 -3.958 1.268 -8.744 1.00 10.00 C ATOM 214 C HIS A 15 -3.660 -0.020 -7.963 1.00 10.00 C ATOM 215 O HIS A 15 -3.226 -0.003 -6.814 1.00 10.00 O ATOM 216 CB HIS A 15 -3.561 2.509 -7.959 1.00 10.00 C ATOM 217 CG HIS A 15 -3.339 3.725 -8.819 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.128 4.345 -8.995 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.247 4.357 -9.627 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.297 5.331 -9.889 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.570 5.370 -10.314 1.00 10.00 N ATOM 0 H HIS A 15 -5.896 2.019 -8.578 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.352 1.221 -9.649 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.339 2.729 -7.228 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.649 2.298 -7.401 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.254 4.100 -8.529 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.296 4.117 -9.717 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.517 6.001 -10.221 1.00 10.00 H new ATOM 229 N ASN A 16 -3.812 -1.151 -8.642 1.00 10.00 N ATOM 230 CA ASN A 16 -3.267 -2.445 -8.229 1.00 10.00 C ATOM 231 C ASN A 16 -2.170 -2.919 -9.176 1.00 10.00 C ATOM 232 O ASN A 16 -1.504 -3.917 -8.910 1.00 10.00 O ATOM 233 CB ASN A 16 -4.368 -3.514 -8.156 1.00 10.00 C ATOM 234 CG ASN A 16 -4.875 -3.916 -9.544 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.297 -4.758 -10.227 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.947 -3.286 -10.008 1.00 10.00 N ATOM 0 H ASN A 16 -4.331 -1.198 -9.519 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.839 -2.303 -7.237 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.984 -4.395 -7.642 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -5.200 -3.136 -7.562 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.300 -3.499 -10.941 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -6.418 -2.589 -9.431 1.00 10.00 H new ATOM 243 N ASN A 17 -2.035 -2.260 -10.323 1.00 10.00 N ATOM 244 CA ASN A 17 -1.776 -2.943 -11.577 1.00 10.00 C ATOM 245 C ASN A 17 -0.461 -2.484 -12.211 1.00 10.00 C ATOM 246 O ASN A 17 0.432 -1.988 -11.527 1.00 10.00 O ATOM 247 CB ASN A 17 -2.996 -2.710 -12.479 1.00 10.00 C ATOM 248 CG ASN A 17 -3.165 -3.851 -13.468 1.00 10.00 C ATOM 249 OD1 ASN A 17 -2.734 -3.735 -14.612 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.743 -4.961 -13.022 1.00 10.00 N ATOM 0 H ASN A 17 -2.102 -1.246 -10.405 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.644 -4.013 -11.417 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.893 -2.618 -11.867 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.880 -1.770 -13.018 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -3.845 -5.767 -13.639 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -4.085 -5.008 -12.062 1.00 10.00 H new ATOM 257 N SER A 18 -0.345 -2.598 -13.536 1.00 10.00 N ATOM 258 CA SER A 18 0.831 -2.208 -14.307 1.00 10.00 C ATOM 259 C SER A 18 0.751 -0.700 -14.527 1.00 10.00 C ATOM 260 O SER A 18 0.705 -0.222 -15.662 1.00 10.00 O ATOM 261 CB SER A 18 0.854 -2.994 -15.626 1.00 10.00 C ATOM 262 OG SER A 18 1.931 -2.567 -16.436 1.00 10.00 O ATOM 0 H SER A 18 -1.092 -2.977 -14.118 1.00 10.00 H new ATOM 0 HA SER A 18 1.759 -2.438 -13.784 1.00 10.00 H new ATOM 0 HB2 SER A 18 0.946 -4.060 -15.420 1.00 10.00 H new ATOM 0 HB3 SER A 18 -0.087 -2.853 -16.157 1.00 10.00 H new ATOM 0 HG SER A 18 1.859 -1.603 -16.595 1.00 10.00 H new ATOM 268 N LYS A 19 0.640 0.020 -13.415 1.00 10.00 N ATOM 269 CA LYS A 19 0.206 1.396 -13.317 1.00 10.00 C ATOM 270 C LYS A 19 0.825 1.947 -12.037 1.00 10.00 C ATOM 271 O LYS A 19 1.719 2.787 -12.094 1.00 10.00 O ATOM 272 CB LYS A 19 -1.335 1.437 -13.277 1.00 10.00 C ATOM 273 CG LYS A 19 -2.042 1.048 -14.585 1.00 10.00 C ATOM 274 CD LYS A 19 -1.675 1.978 -15.752 1.00 10.00 C ATOM 275 CE LYS A 19 -2.422 1.561 -17.026 1.00 10.00 C ATOM 276 NZ LYS A 19 -2.005 2.366 -18.193 1.00 10.00 N ATOM 0 H LYS A 19 0.867 -0.375 -12.502 1.00 10.00 H new ATOM 0 HA LYS A 19 0.519 1.998 -14.170 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -1.678 0.770 -12.487 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.647 2.444 -13.002 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -1.779 0.023 -14.845 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -3.121 1.071 -14.432 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -1.925 3.008 -15.497 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -0.600 1.945 -15.927 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -2.237 0.506 -17.227 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -3.495 1.673 -16.872 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -2.531 2.056 -19.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -2.204 3.370 -18.011 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -0.986 2.239 -18.356 1.00 10.00 H new ATOM 290 N SER A 20 0.395 1.427 -10.883 1.00 10.00 N ATOM 291 CA SER A 20 1.024 1.615 -9.603 1.00 10.00 C ATOM 292 C SER A 20 0.277 0.690 -8.635 1.00 10.00 C ATOM 293 O SER A 20 -0.794 0.174 -8.968 1.00 10.00 O ATOM 294 CB SER A 20 1.067 3.102 -9.196 1.00 10.00 C ATOM 295 OG SER A 20 0.291 3.359 -8.052 1.00 10.00 O ATOM 0 H SER A 20 -0.438 0.841 -10.830 1.00 10.00 H new ATOM 0 HA SER A 20 2.080 1.344 -9.609 1.00 10.00 H new ATOM 0 HB2 SER A 20 2.099 3.396 -9.007 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.707 3.714 -10.023 1.00 10.00 H new ATOM 0 HG SER A 20 0.843 3.803 -7.375 1.00 10.00 H new ATOM 301 N THR A 21 0.894 0.438 -7.488 1.00 10.00 N ATOM 302 CA THR A 21 0.470 -0.489 -6.450 1.00 10.00 C ATOM 303 C THR A 21 0.105 0.282 -5.179 1.00 10.00 C ATOM 304 O THR A 21 0.987 0.618 -4.388 1.00 10.00 O ATOM 305 CB THR A 21 1.614 -1.473 -6.168 1.00 10.00 C ATOM 306 OG1 THR A 21 2.187 -1.928 -7.375 1.00 10.00 O ATOM 307 CG2 THR A 21 1.096 -2.678 -5.381 1.00 10.00 C ATOM 0 H THR A 21 1.765 0.910 -7.243 1.00 10.00 H new ATOM 0 HA THR A 21 -0.410 -1.040 -6.781 1.00 10.00 H new ATOM 0 HB THR A 21 2.370 -0.950 -5.583 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.968 -1.378 -7.594 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.918 -3.367 -5.188 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.676 -2.340 -4.434 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.325 -3.186 -5.960 1.00 10.00 H new ATOM 315 N TRP A 22 -1.187 0.550 -4.983 1.00 10.00 N ATOM 316 CA TRP A 22 -1.734 1.260 -3.834 1.00 10.00 C ATOM 317 C TRP A 22 -2.292 0.283 -2.807 1.00 10.00 C ATOM 318 O TRP A 22 -2.674 -0.827 -3.158 1.00 10.00 O ATOM 319 CB TRP A 22 -2.811 2.230 -4.315 1.00 10.00 C ATOM 320 CG TRP A 22 -2.295 3.500 -4.928 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.019 3.753 -5.287 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.051 4.651 -5.385 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.940 4.958 -5.944 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.188 5.526 -6.108 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.397 5.023 -5.280 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.675 6.657 -6.783 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.912 6.110 -6.000 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.062 6.896 -6.794 1.00 10.00 C ATOM 0 H TRP A 22 -1.906 0.266 -5.648 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.940 1.823 -3.344 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.437 1.720 -5.047 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.451 2.486 -3.471 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.180 3.102 -5.087 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.070 5.379 -6.269 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.052 4.461 -4.631 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -1.997 7.332 -7.285 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.965 6.343 -5.944 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.471 7.682 -7.412 1.00 10.00 H new ATOM 339 N LEU A 23 -2.366 0.684 -1.538 1.00 10.00 N ATOM 340 CA LEU A 23 -3.080 -0.058 -0.507 1.00 10.00 C ATOM 341 C LEU A 23 -3.530 0.889 0.598 1.00 10.00 C ATOM 342 O LEU A 23 -3.027 2.011 0.671 1.00 10.00 O ATOM 343 CB LEU A 23 -2.265 -1.239 0.054 1.00 10.00 C ATOM 344 CG LEU A 23 -0.773 -1.351 -0.286 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.050 -0.371 0.536 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.304 -2.772 0.027 1.00 10.00 C ATOM 0 H LEU A 23 -1.928 1.540 -1.197 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.961 -0.501 -0.972 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.352 -1.210 1.140 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.747 -2.158 -0.280 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.637 -1.119 -1.342 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.103 -0.472 0.275 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.280 0.647 0.327 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -0.083 -0.584 1.597 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.756 -2.866 -0.210 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.459 -2.981 1.085 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.874 -3.483 -0.571 1.00 10.00 H new ATOM 358 N ILE A 24 -4.480 0.441 1.432 1.00 10.00 N ATOM 359 CA ILE A 24 -4.976 1.222 2.569 1.00 10.00 C ATOM 360 C ILE A 24 -4.420 0.671 3.874 1.00 10.00 C ATOM 361 O ILE A 24 -4.687 -0.484 4.218 1.00 10.00 O ATOM 362 CB ILE A 24 -6.518 1.284 2.660 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.284 0.983 1.366 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.969 2.609 3.282 1.00 10.00 C ATOM 365 CD1 ILE A 24 -7.205 2.078 0.309 1.00 10.00 C ATOM 0 H ILE A 24 -4.924 -0.472 1.335 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.626 2.241 2.401 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.786 0.455 3.315 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.899 0.057 0.939 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -8.332 0.810 1.612 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.057 2.633 3.337 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.553 2.700 4.285 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.618 3.438 2.667 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.776 1.777 -0.570 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.619 3.003 0.711 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -6.164 2.238 0.028 1.00 10.00 H new ATOM 377 N LEU A 25 -3.679 1.512 4.598 1.00 10.00 N ATOM 378 CA LEU A 25 -3.070 1.210 5.885 1.00 10.00 C ATOM 379 C LEU A 25 -3.555 2.278 6.870 1.00 10.00 C ATOM 380 O LEU A 25 -2.960 3.347 6.984 1.00 10.00 O ATOM 381 CB LEU A 25 -1.542 1.184 5.753 1.00 10.00 C ATOM 382 CG LEU A 25 -0.922 -0.172 5.376 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.456 -0.761 4.069 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.591 0.006 5.227 1.00 10.00 C ATOM 0 H LEU A 25 -3.481 2.463 4.285 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.360 0.224 6.248 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.249 1.917 5.001 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.110 1.509 6.699 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.189 -0.865 6.174 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.969 -1.717 3.875 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.532 -0.912 4.151 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.248 -0.074 3.249 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.045 -0.948 4.960 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.796 0.737 4.445 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.011 0.356 6.170 1.00 10.00 H new ATOM 396 N HIS A 26 -4.651 1.998 7.574 1.00 10.00 N ATOM 397 CA HIS A 26 -5.282 2.909 8.523 1.00 10.00 C ATOM 398 C HIS A 26 -5.939 4.071 7.777 1.00 10.00 C ATOM 399 O HIS A 26 -5.666 5.236 8.061 1.00 10.00 O ATOM 400 CB HIS A 26 -4.302 3.392 9.612 1.00 10.00 C ATOM 401 CG HIS A 26 -3.436 2.315 10.220 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.726 1.579 11.348 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.174 1.967 9.813 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.662 0.800 11.606 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.697 0.997 10.695 1.00 10.00 N ATOM 0 H HIS A 26 -5.137 1.105 7.496 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.062 2.361 9.051 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.655 4.157 9.183 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.874 3.868 10.408 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.590 1.618 11.888 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.644 2.371 8.963 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.593 0.110 12.434 1.00 10.00 H new ATOM 413 N TYR A 27 -6.811 3.754 6.812 1.00 10.00 N ATOM 414 CA TYR A 27 -7.646 4.698 6.061 1.00 10.00 C ATOM 415 C TYR A 27 -6.857 5.603 5.100 1.00 10.00 C ATOM 416 O TYR A 27 -7.372 6.000 4.058 1.00 10.00 O ATOM 417 CB TYR A 27 -8.585 5.483 6.992 1.00 10.00 C ATOM 418 CG TYR A 27 -9.520 4.596 7.797 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.093 4.042 9.020 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.779 4.239 7.277 1.00 10.00 C ATOM 421 CE1 TYR A 27 -9.878 3.075 9.672 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.575 3.294 7.947 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.116 2.695 9.128 1.00 10.00 C ATOM 424 OH TYR A 27 -11.874 1.736 9.732 1.00 10.00 O ATOM 0 H TYR A 27 -6.960 2.788 6.521 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.273 4.092 5.406 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.986 6.083 7.677 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.178 6.177 6.396 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.159 4.361 9.458 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.133 4.692 6.363 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -9.530 2.625 10.590 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.544 3.029 7.550 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.699 1.600 9.220 1.00 10.00 H new ATOM 434 N LYS A 28 -5.607 5.939 5.411 1.00 10.00 N ATOM 435 CA LYS A 28 -4.708 6.571 4.457 1.00 10.00 C ATOM 436 C LYS A 28 -4.325 5.586 3.341 1.00 10.00 C ATOM 437 O LYS A 28 -4.454 4.374 3.521 1.00 10.00 O ATOM 438 CB LYS A 28 -3.495 7.124 5.209 1.00 10.00 C ATOM 439 CG LYS A 28 -3.615 8.622 5.522 1.00 10.00 C ATOM 440 CD LYS A 28 -4.920 8.980 6.252 1.00 10.00 C ATOM 441 CE LYS A 28 -4.955 10.480 6.574 1.00 10.00 C ATOM 442 NZ LYS A 28 -6.310 10.926 6.962 1.00 10.00 N ATOM 0 H LYS A 28 -5.193 5.780 6.329 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.204 7.407 3.964 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.370 6.573 6.141 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.597 6.953 4.615 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.767 8.929 6.134 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.558 9.188 4.592 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -5.776 8.714 5.632 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.001 8.401 7.172 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.256 10.695 7.382 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.621 11.046 5.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.293 11.944 7.172 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.972 10.744 6.181 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.619 10.404 7.807 1.00 10.00 H new ATOM 456 N VAL A 29 -3.858 6.117 2.204 1.00 10.00 N ATOM 457 CA VAL A 29 -3.526 5.391 0.981 1.00 10.00 C ATOM 458 C VAL A 29 -2.025 5.498 0.698 1.00 10.00 C ATOM 459 O VAL A 29 -1.428 6.572 0.829 1.00 10.00 O ATOM 460 CB VAL A 29 -4.357 5.930 -0.193 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.938 5.358 -1.546 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.828 5.571 -0.008 1.00 10.00 C ATOM 0 H VAL A 29 -3.694 7.120 2.112 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.770 4.336 1.109 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.190 7.007 -0.193 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.566 5.781 -2.330 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.895 5.610 -1.740 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.053 4.274 -1.534 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.406 5.959 -0.847 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.935 4.487 0.036 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.196 6.010 0.919 1.00 10.00 H new ATOM 472 N TYR A 30 -1.435 4.357 0.333 1.00 10.00 N ATOM 473 CA TYR A 30 -0.013 4.066 0.405 1.00 10.00 C ATOM 474 C TYR A 30 0.415 3.470 -0.934 1.00 10.00 C ATOM 475 O TYR A 30 -0.164 2.457 -1.312 1.00 10.00 O ATOM 476 CB TYR A 30 0.142 3.036 1.536 1.00 10.00 C ATOM 477 CG TYR A 30 -0.025 3.632 2.916 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.324 3.891 3.378 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.076 3.939 3.733 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.524 4.426 4.654 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.862 4.424 5.040 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.441 4.604 5.520 1.00 10.00 C ATOM 483 OH TYR A 30 -0.673 4.853 6.837 1.00 10.00 O ATOM 0 H TYR A 30 -1.971 3.573 -0.040 1.00 10.00 H new ATOM 0 HA TYR A 30 0.599 4.947 0.601 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.593 2.243 1.399 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.126 2.574 1.464 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.173 3.676 2.746 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.081 3.804 3.362 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.518 4.703 4.972 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.706 4.657 5.673 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.488 4.388 7.119 1.00 10.00 H new ATOM 493 N ASP A 31 1.390 4.061 -1.641 1.00 10.00 N ATOM 494 CA ASP A 31 1.902 3.549 -2.919 1.00 10.00 C ATOM 495 C ASP A 31 3.253 2.898 -2.682 1.00 10.00 C ATOM 496 O ASP A 31 4.096 3.518 -2.034 1.00 10.00 O ATOM 497 CB ASP A 31 2.109 4.681 -3.931 1.00 10.00 C ATOM 498 CG ASP A 31 2.400 4.177 -5.343 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.268 3.288 -5.500 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.721 4.671 -6.271 1.00 10.00 O ATOM 0 H ASP A 31 1.850 4.919 -1.336 1.00 10.00 H new ATOM 0 HA ASP A 31 1.174 2.840 -3.313 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.218 5.309 -3.952 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.935 5.311 -3.599 1.00 10.00 H new ATOM 505 N LEU A 32 3.477 1.688 -3.201 1.00 10.00 N ATOM 506 CA LEU A 32 4.784 1.052 -3.080 1.00 10.00 C ATOM 507 C LEU A 32 5.372 0.533 -4.390 1.00 10.00 C ATOM 508 O LEU A 32 6.216 -0.359 -4.398 1.00 10.00 O ATOM 509 CB LEU A 32 4.769 -0.075 -2.054 1.00 10.00 C ATOM 510 CG LEU A 32 3.637 -0.163 -1.031 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.885 -1.426 -0.200 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.558 1.050 -0.104 1.00 10.00 C ATOM 0 H LEU A 32 2.779 1.138 -3.702 1.00 10.00 H new ATOM 0 HA LEU A 32 5.437 1.858 -2.744 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.781 -1.015 -2.605 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.705 -0.019 -1.498 1.00 10.00 H new ATOM 0 HG LEU A 32 2.688 -0.193 -1.566 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.098 -1.530 0.547 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.883 -2.298 -0.854 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.851 -1.349 0.299 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.732 0.920 0.596 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.492 1.146 0.450 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.393 1.950 -0.696 1.00 10.00 H new ATOM 524 N THR A 33 4.966 1.108 -5.506 1.00 10.00 N ATOM 525 CA THR A 33 5.359 0.634 -6.837 1.00 10.00 C ATOM 526 C THR A 33 6.879 0.533 -6.992 1.00 10.00 C ATOM 527 O THR A 33 7.377 -0.480 -7.470 1.00 10.00 O ATOM 528 CB THR A 33 4.739 1.540 -7.908 1.00 10.00 C ATOM 529 OG1 THR A 33 3.374 1.729 -7.613 1.00 10.00 O ATOM 530 CG2 THR A 33 4.855 0.925 -9.306 1.00 10.00 C ATOM 0 H THR A 33 4.351 1.922 -5.524 1.00 10.00 H new ATOM 0 HA THR A 33 4.976 -0.378 -6.966 1.00 10.00 H new ATOM 0 HB THR A 33 5.278 2.487 -7.902 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.267 2.529 -7.057 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.405 1.596 -10.037 1.00 10.00 H new ATOM 0 HG22 THR A 33 5.906 0.774 -9.551 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.337 -0.034 -9.326 1.00 10.00 H new ATOM 538 N LYS A 34 7.633 1.549 -6.568 1.00 10.00 N ATOM 539 CA LYS A 34 9.091 1.466 -6.605 1.00 10.00 C ATOM 540 C LYS A 34 9.608 0.458 -5.572 1.00 10.00 C ATOM 541 O LYS A 34 10.666 -0.135 -5.752 1.00 10.00 O ATOM 542 CB LYS A 34 9.692 2.869 -6.414 1.00 10.00 C ATOM 543 CG LYS A 34 11.198 2.920 -6.728 1.00 10.00 C ATOM 544 CD LYS A 34 12.083 2.759 -5.481 1.00 10.00 C ATOM 545 CE LYS A 34 13.545 2.559 -5.904 1.00 10.00 C ATOM 546 NZ LYS A 34 14.424 2.343 -4.740 1.00 10.00 N ATOM 0 H LYS A 34 7.264 2.426 -6.200 1.00 10.00 H new ATOM 0 HA LYS A 34 9.411 1.097 -7.580 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.167 3.575 -7.058 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.529 3.193 -5.386 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.441 2.133 -7.442 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.430 3.870 -7.210 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.996 3.640 -4.846 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.745 1.907 -4.892 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.616 1.705 -6.577 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.886 3.432 -6.460 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.197 1.698 -5.003 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.822 3.253 -4.432 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.874 1.925 -3.963 1.00 10.00 H new ATOM 560 N PHE A 35 8.871 0.275 -4.475 1.00 10.00 N ATOM 561 CA PHE A 35 9.285 -0.565 -3.366 1.00 10.00 C ATOM 562 C PHE A 35 9.135 -2.039 -3.726 1.00 10.00 C ATOM 563 O PHE A 35 9.839 -2.874 -3.170 1.00 10.00 O ATOM 564 CB PHE A 35 8.446 -0.232 -2.131 1.00 10.00 C ATOM 565 CG PHE A 35 8.949 -0.862 -0.854 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.259 -0.617 -0.405 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.116 -1.735 -0.136 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.761 -1.303 0.713 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.610 -2.397 0.994 1.00 10.00 C ATOM 570 CZ PHE A 35 9.940 -2.209 1.405 1.00 10.00 C ATOM 0 H PHE A 35 7.961 0.714 -4.337 1.00 10.00 H new ATOM 0 HA PHE A 35 10.336 -0.373 -3.149 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.420 0.850 -2.004 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.420 -0.557 -2.304 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.880 0.100 -0.921 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.097 -1.895 -0.455 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.776 -1.134 1.040 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.964 -3.057 1.554 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.330 -2.758 2.249 1.00 10.00 H new ATOM 580 N LEU A 36 8.239 -2.360 -4.663 1.00 10.00 N ATOM 581 CA LEU A 36 8.123 -3.685 -5.263 1.00 10.00 C ATOM 582 C LEU A 36 9.499 -4.300 -5.565 1.00 10.00 C ATOM 583 O LEU A 36 9.722 -5.473 -5.279 1.00 10.00 O ATOM 584 CB LEU A 36 7.271 -3.587 -6.538 1.00 10.00 C ATOM 585 CG LEU A 36 5.804 -3.191 -6.345 1.00 10.00 C ATOM 586 CD1 LEU A 36 5.054 -3.398 -7.668 1.00 10.00 C ATOM 587 CD2 LEU A 36 5.098 -3.985 -5.249 1.00 10.00 C ATOM 0 H LEU A 36 7.562 -1.691 -5.031 1.00 10.00 H new ATOM 0 HA LEU A 36 7.635 -4.349 -4.549 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.736 -2.862 -7.205 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.301 -4.552 -7.045 1.00 10.00 H new ATOM 0 HG LEU A 36 5.796 -2.146 -6.036 1.00 10.00 H new ATOM 0 HD11 LEU A 36 4.008 -3.119 -7.541 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.504 -2.777 -8.442 1.00 10.00 H new ATOM 0 HD13 LEU A 36 5.117 -4.446 -7.962 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.063 -3.652 -5.168 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.119 -5.046 -5.497 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.607 -3.825 -4.298 1.00 10.00 H new ATOM 599 N GLU A 37 10.426 -3.493 -6.095 1.00 10.00 N ATOM 600 CA GLU A 37 11.813 -3.878 -6.339 1.00 10.00 C ATOM 601 C GLU A 37 12.491 -4.435 -5.077 1.00 10.00 C ATOM 602 O GLU A 37 13.250 -5.399 -5.140 1.00 10.00 O ATOM 603 CB GLU A 37 12.586 -2.637 -6.814 1.00 10.00 C ATOM 604 CG GLU A 37 12.078 -2.051 -8.141 1.00 10.00 C ATOM 605 CD GLU A 37 12.543 -2.869 -9.338 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.772 -2.872 -9.567 1.00 10.00 O ATOM 607 OE2 GLU A 37 11.667 -3.456 -10.005 1.00 10.00 O ATOM 0 H GLU A 37 10.223 -2.532 -6.371 1.00 10.00 H new ATOM 0 HA GLU A 37 11.820 -4.665 -7.093 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.527 -1.868 -6.043 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.639 -2.898 -6.924 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.989 -2.014 -8.128 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.431 -1.025 -8.243 1.00 10.00 H new ATOM 614 N GLU A 38 12.271 -3.768 -3.942 1.00 10.00 N ATOM 615 CA GLU A 38 13.009 -3.946 -2.699 1.00 10.00 C ATOM 616 C GLU A 38 12.357 -4.984 -1.780 1.00 10.00 C ATOM 617 O GLU A 38 13.049 -5.728 -1.089 1.00 10.00 O ATOM 618 CB GLU A 38 13.057 -2.599 -1.962 1.00 10.00 C ATOM 619 CG GLU A 38 13.645 -1.456 -2.803 1.00 10.00 C ATOM 620 CD GLU A 38 13.582 -0.124 -2.070 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.519 -0.138 -0.825 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.592 0.903 -2.785 1.00 10.00 O ATOM 0 H GLU A 38 11.541 -3.060 -3.865 1.00 10.00 H new ATOM 0 HA GLU A 38 14.008 -4.303 -2.950 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.048 -2.328 -1.652 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.650 -2.712 -1.054 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.681 -1.685 -3.053 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.100 -1.379 -3.744 1.00 10.00 H new ATOM 629 N HIS A 39 11.024 -4.953 -1.699 1.00 10.00 N ATOM 630 CA HIS A 39 10.236 -5.593 -0.654 1.00 10.00 C ATOM 631 C HIS A 39 10.632 -7.058 -0.420 1.00 10.00 C ATOM 632 O HIS A 39 10.427 -7.877 -1.314 1.00 10.00 O ATOM 633 CB HIS A 39 8.752 -5.503 -1.033 1.00 10.00 C ATOM 634 CG HIS A 39 7.823 -6.057 0.021 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.702 -6.822 -0.210 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.844 -5.752 1.355 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.044 -6.925 0.959 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.703 -6.293 1.950 1.00 10.00 N ATOM 0 H HIS A 39 10.449 -4.464 -2.385 1.00 10.00 H new ATOM 0 HA HIS A 39 10.430 -5.068 0.281 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.496 -4.460 -1.219 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.591 -6.042 -1.967 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.423 -7.234 -1.100 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.613 -5.188 1.862 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.107 -7.447 1.087 1.00 10.00 H new ATOM 646 N PRO A 40 11.108 -7.435 0.781 1.00 10.00 N ATOM 647 CA PRO A 40 11.354 -8.827 1.144 1.00 10.00 C ATOM 648 C PRO A 40 10.140 -9.736 0.911 1.00 10.00 C ATOM 649 O PRO A 40 10.294 -10.872 0.472 1.00 10.00 O ATOM 650 CB PRO A 40 11.774 -8.803 2.616 1.00 10.00 C ATOM 651 CG PRO A 40 12.420 -7.426 2.754 1.00 10.00 C ATOM 652 CD PRO A 40 11.541 -6.557 1.857 1.00 10.00 C ATOM 0 HA PRO A 40 12.130 -9.254 0.509 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.920 -8.919 3.283 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.474 -9.605 2.851 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.416 -7.077 3.787 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.459 -7.430 2.423 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.689 -6.159 2.408 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.097 -5.703 1.469 1.00 10.00 H new ATOM 660 N GLY A 41 8.927 -9.239 1.182 1.00 10.00 N ATOM 661 CA GLY A 41 7.696 -9.968 0.899 1.00 10.00 C ATOM 662 C GLY A 41 7.463 -10.207 -0.599 1.00 10.00 C ATOM 663 O GLY A 41 6.618 -11.021 -0.961 1.00 10.00 O ATOM 0 H GLY A 41 8.777 -8.322 1.603 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.724 -10.929 1.413 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.851 -9.413 1.307 1.00 10.00 H new ATOM 667 N GLY A 42 8.180 -9.492 -1.474 1.00 10.00 N ATOM 668 CA GLY A 42 8.028 -9.588 -2.916 1.00 10.00 C ATOM 669 C GLY A 42 6.831 -8.787 -3.409 1.00 10.00 C ATOM 670 O GLY A 42 6.071 -8.216 -2.622 1.00 10.00 O ATOM 0 H GLY A 42 8.892 -8.821 -1.187 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.934 -9.226 -3.403 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.909 -10.633 -3.201 1.00 10.00 H new ATOM 674 N GLU A 43 6.704 -8.723 -4.738 1.00 10.00 N ATOM 675 CA GLU A 43 5.662 -7.969 -5.406 1.00 10.00 C ATOM 676 C GLU A 43 4.349 -8.751 -5.413 1.00 10.00 C ATOM 677 O GLU A 43 3.319 -8.187 -5.064 1.00 10.00 O ATOM 678 CB GLU A 43 6.142 -7.507 -6.795 1.00 10.00 C ATOM 679 CG GLU A 43 4.983 -7.093 -7.721 1.00 10.00 C ATOM 680 CD GLU A 43 5.414 -6.421 -9.021 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.635 -6.338 -9.254 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.503 -5.964 -9.757 1.00 10.00 O ATOM 0 H GLU A 43 7.335 -9.203 -5.380 1.00 10.00 H new ATOM 0 HA GLU A 43 5.448 -7.056 -4.851 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.825 -6.666 -6.677 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.707 -8.312 -7.265 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.395 -7.979 -7.963 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.326 -6.414 -7.177 1.00 10.00 H new ATOM 689 N GLU A 44 4.371 -10.034 -5.787 1.00 10.00 N ATOM 690 CA GLU A 44 3.181 -10.860 -5.978 1.00 10.00 C ATOM 691 C GLU A 44 2.119 -10.639 -4.890 1.00 10.00 C ATOM 692 O GLU A 44 0.975 -10.292 -5.177 1.00 10.00 O ATOM 693 CB GLU A 44 3.592 -12.337 -6.054 1.00 10.00 C ATOM 694 CG GLU A 44 4.554 -12.614 -7.217 1.00 10.00 C ATOM 695 CD GLU A 44 4.860 -14.102 -7.318 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.551 -14.592 -6.399 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.386 -14.717 -8.296 1.00 10.00 O ATOM 0 H GLU A 44 5.240 -10.537 -5.969 1.00 10.00 H new ATOM 0 HA GLU A 44 2.716 -10.559 -6.917 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.065 -12.629 -5.116 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.701 -12.955 -6.167 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.114 -12.264 -8.151 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.479 -12.056 -7.071 1.00 10.00 H new ATOM 704 N VAL A 45 2.509 -10.803 -3.627 1.00 10.00 N ATOM 705 CA VAL A 45 1.608 -10.643 -2.492 1.00 10.00 C ATOM 706 C VAL A 45 1.129 -9.184 -2.356 1.00 10.00 C ATOM 707 O VAL A 45 -0.037 -8.929 -2.057 1.00 10.00 O ATOM 708 CB VAL A 45 2.295 -11.223 -1.240 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.512 -10.405 -0.785 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.309 -11.417 -0.084 1.00 10.00 C ATOM 0 H VAL A 45 3.463 -11.051 -3.364 1.00 10.00 H new ATOM 0 HA VAL A 45 0.687 -11.206 -2.641 1.00 10.00 H new ATOM 0 HB VAL A 45 2.667 -12.203 -1.539 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.950 -10.866 0.100 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.252 -10.379 -1.584 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.199 -9.388 -0.547 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.835 -11.828 0.778 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.868 -10.457 0.183 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.521 -12.105 -0.390 1.00 10.00 H new ATOM 720 N LEU A 46 1.992 -8.197 -2.623 1.00 10.00 N ATOM 721 CA LEU A 46 1.569 -6.800 -2.625 1.00 10.00 C ATOM 722 C LEU A 46 0.543 -6.572 -3.730 1.00 10.00 C ATOM 723 O LEU A 46 -0.465 -5.920 -3.503 1.00 10.00 O ATOM 724 CB LEU A 46 2.762 -5.846 -2.797 1.00 10.00 C ATOM 725 CG LEU A 46 3.607 -5.672 -1.527 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.872 -4.888 -1.883 1.00 10.00 C ATOM 727 CD2 LEU A 46 2.854 -4.857 -0.472 1.00 10.00 C ATOM 0 H LEU A 46 2.978 -8.342 -2.838 1.00 10.00 H new ATOM 0 HA LEU A 46 1.114 -6.584 -1.658 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.400 -6.219 -3.598 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.392 -4.870 -3.112 1.00 10.00 H new ATOM 0 HG LEU A 46 3.836 -6.662 -1.133 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.482 -4.757 -0.989 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.441 -5.437 -2.634 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.595 -3.911 -2.280 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.476 -4.749 0.417 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.620 -3.871 -0.873 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.929 -5.370 -0.208 1.00 10.00 H new ATOM 739 N ARG A 47 0.793 -7.120 -4.916 1.00 10.00 N ATOM 740 CA ARG A 47 -0.068 -7.014 -6.083 1.00 10.00 C ATOM 741 C ARG A 47 -1.444 -7.578 -5.740 1.00 10.00 C ATOM 742 O ARG A 47 -2.464 -6.931 -5.961 1.00 10.00 O ATOM 743 CB ARG A 47 0.589 -7.788 -7.237 1.00 10.00 C ATOM 744 CG ARG A 47 1.544 -6.943 -8.064 1.00 10.00 C ATOM 745 CD ARG A 47 0.900 -6.360 -9.314 1.00 10.00 C ATOM 746 NE ARG A 47 1.907 -5.524 -9.976 1.00 10.00 N ATOM 747 CZ ARG A 47 2.083 -4.217 -9.759 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.127 -3.477 -9.199 1.00 10.00 N ATOM 749 NH2 ARG A 47 3.267 -3.690 -10.059 1.00 10.00 N ATOM 0 H ARG A 47 1.633 -7.670 -5.094 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.198 -5.975 -6.387 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.131 -8.642 -6.830 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.190 -8.185 -7.888 1.00 10.00 H new ATOM 0 HG2 ARG A 47 1.927 -6.130 -7.447 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.400 -7.552 -8.354 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.564 -7.155 -9.979 1.00 10.00 H new ATOM 0 HD3 ARG A 47 0.022 -5.769 -9.054 1.00 10.00 H new ATOM 0 HE ARG A 47 2.521 -5.975 -10.655 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.242 -3.907 -8.928 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.280 -2.481 -9.041 1.00 10.00 H new ATOM 0 HH21 ARG A 47 4.006 -4.280 -10.442 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.436 -2.696 -9.906 1.00 10.00 H new ATOM 763 N GLU A 48 -1.442 -8.784 -5.177 1.00 10.00 N ATOM 764 CA GLU A 48 -2.612 -9.481 -4.678 1.00 10.00 C ATOM 765 C GLU A 48 -3.413 -8.604 -3.700 1.00 10.00 C ATOM 766 O GLU A 48 -4.627 -8.474 -3.839 1.00 10.00 O ATOM 767 CB GLU A 48 -2.091 -10.768 -4.027 1.00 10.00 C ATOM 768 CG GLU A 48 -3.174 -11.682 -3.450 1.00 10.00 C ATOM 769 CD GLU A 48 -2.548 -12.823 -2.660 1.00 10.00 C ATOM 770 OE1 GLU A 48 -2.038 -12.518 -1.559 1.00 10.00 O ATOM 771 OE2 GLU A 48 -2.583 -13.962 -3.169 1.00 10.00 O ATOM 0 H GLU A 48 -0.584 -9.321 -5.053 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.312 -9.717 -5.479 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.521 -11.328 -4.768 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.399 -10.500 -3.229 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.837 -11.106 -2.804 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.786 -12.084 -4.257 1.00 10.00 H new ATOM 778 N GLN A 49 -2.755 -8.027 -2.687 1.00 10.00 N ATOM 779 CA GLN A 49 -3.429 -7.238 -1.653 1.00 10.00 C ATOM 780 C GLN A 49 -3.874 -5.867 -2.177 1.00 10.00 C ATOM 781 O GLN A 49 -4.853 -5.302 -1.694 1.00 10.00 O ATOM 782 CB GLN A 49 -2.489 -7.042 -0.450 1.00 10.00 C ATOM 783 CG GLN A 49 -2.712 -8.024 0.710 1.00 10.00 C ATOM 784 CD GLN A 49 -2.195 -9.447 0.493 1.00 10.00 C ATOM 785 OE1 GLN A 49 -1.398 -9.942 1.285 1.00 10.00 O ATOM 786 NE2 GLN A 49 -2.674 -10.122 -0.542 1.00 10.00 N ATOM 0 H GLN A 49 -1.745 -8.094 -2.563 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.319 -7.789 -1.350 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.459 -7.135 -0.793 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.609 -6.026 -0.075 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.234 -7.617 1.601 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.781 -8.075 0.916 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.335 -9.677 -1.179 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -2.382 -11.086 -0.701 1.00 10.00 H new ATOM 795 N ALA A 50 -3.082 -5.295 -3.080 1.00 10.00 N ATOM 796 CA ALA A 50 -3.185 -3.902 -3.492 1.00 10.00 C ATOM 797 C ALA A 50 -4.543 -3.545 -4.099 1.00 10.00 C ATOM 798 O ALA A 50 -5.299 -4.401 -4.552 1.00 10.00 O ATOM 799 CB ALA A 50 -2.070 -3.572 -4.483 1.00 10.00 C ATOM 0 H ALA A 50 -2.334 -5.801 -3.555 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.082 -3.301 -2.588 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.151 -2.529 -4.788 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.102 -3.737 -4.010 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.160 -4.214 -5.359 1.00 10.00 H new ATOM 805 N GLY A 51 -4.836 -2.244 -4.113 1.00 10.00 N ATOM 806 CA GLY A 51 -6.133 -1.702 -4.463 1.00 10.00 C ATOM 807 C GLY A 51 -7.200 -2.293 -3.562 1.00 10.00 C ATOM 808 O GLY A 51 -8.285 -2.668 -4.000 1.00 10.00 O ATOM 0 H GLY A 51 -4.153 -1.525 -3.873 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.122 -0.617 -4.364 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.361 -1.925 -5.505 1.00 10.00 H new ATOM 812 N GLY A 52 -6.885 -2.293 -2.268 1.00 10.00 N ATOM 813 CA GLY A 52 -7.798 -2.603 -1.210 1.00 10.00 C ATOM 814 C GLY A 52 -7.053 -2.405 0.102 1.00 10.00 C ATOM 815 O GLY A 52 -5.845 -2.139 0.145 1.00 10.00 O ATOM 0 H GLY A 52 -5.949 -2.067 -1.933 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.674 -1.956 -1.256 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.155 -3.629 -1.298 1.00 10.00 H new ATOM 819 N ASP A 53 -7.829 -2.471 1.170 1.00 10.00 N ATOM 820 CA ASP A 53 -7.375 -2.397 2.546 1.00 10.00 C ATOM 821 C ASP A 53 -6.371 -3.509 2.837 1.00 10.00 C ATOM 822 O ASP A 53 -6.687 -4.687 2.685 1.00 10.00 O ATOM 823 CB ASP A 53 -8.569 -2.474 3.506 1.00 10.00 C ATOM 824 CG ASP A 53 -9.493 -1.270 3.408 1.00 10.00 C ATOM 825 OD1 ASP A 53 -10.159 -1.115 2.361 1.00 10.00 O ATOM 826 OD2 ASP A 53 -9.577 -0.517 4.402 1.00 10.00 O ATOM 0 H ASP A 53 -8.840 -2.583 1.097 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.875 -1.440 2.698 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.138 -3.379 3.296 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.201 -2.559 4.528 1.00 10.00 H new ATOM 831 N ALA A 54 -5.171 -3.130 3.286 1.00 10.00 N ATOM 832 CA ALA A 54 -4.148 -4.071 3.745 1.00 10.00 C ATOM 833 C ALA A 54 -3.644 -3.686 5.140 1.00 10.00 C ATOM 834 O ALA A 54 -2.523 -4.029 5.519 1.00 10.00 O ATOM 835 CB ALA A 54 -3.015 -4.124 2.717 1.00 10.00 C ATOM 0 H ALA A 54 -4.881 -2.154 3.341 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.578 -5.069 3.832 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.250 -4.824 3.054 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.410 -4.454 1.756 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.576 -3.132 2.607 1.00 10.00 H new ATOM 841 N THR A 55 -4.474 -2.975 5.910 1.00 10.00 N ATOM 842 CA THR A 55 -4.092 -2.440 7.208 1.00 10.00 C ATOM 843 C THR A 55 -3.752 -3.573 8.173 1.00 10.00 C ATOM 844 O THR A 55 -2.625 -3.665 8.659 1.00 10.00 O ATOM 845 CB THR A 55 -5.219 -1.548 7.756 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.585 -0.547 6.822 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.771 -0.855 9.043 1.00 10.00 C ATOM 0 H THR A 55 -5.434 -2.757 5.643 1.00 10.00 H new ATOM 0 HA THR A 55 -3.198 -1.827 7.097 1.00 10.00 H new ATOM 0 HB THR A 55 -6.075 -2.195 7.950 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.186 -0.751 5.951 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.579 -0.227 9.419 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.517 -1.606 9.791 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.897 -0.237 8.838 1.00 10.00 H new ATOM 855 N GLU A 56 -4.742 -4.434 8.439 1.00 10.00 N ATOM 856 CA GLU A 56 -4.624 -5.545 9.350 1.00 10.00 C ATOM 857 C GLU A 56 -3.428 -6.371 8.911 1.00 10.00 C ATOM 858 O GLU A 56 -2.481 -6.481 9.664 1.00 10.00 O ATOM 859 CB GLU A 56 -5.929 -6.351 9.345 1.00 10.00 C ATOM 860 CG GLU A 56 -7.124 -5.491 9.784 1.00 10.00 C ATOM 861 CD GLU A 56 -8.423 -6.278 9.698 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.722 -6.736 8.574 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.088 -6.401 10.748 1.00 10.00 O ATOM 0 H GLU A 56 -5.664 -4.363 8.009 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.463 -5.213 10.376 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.111 -6.745 8.345 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.831 -7.208 10.012 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.971 -5.145 10.806 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.189 -4.604 9.154 1.00 10.00 H new ATOM 870 N ASN A 57 -3.433 -6.859 7.670 1.00 10.00 N ATOM 871 CA ASN A 57 -2.322 -7.587 7.062 1.00 10.00 C ATOM 872 C ASN A 57 -0.956 -6.978 7.414 1.00 10.00 C ATOM 873 O ASN A 57 -0.097 -7.648 7.987 1.00 10.00 O ATOM 874 CB ASN A 57 -2.564 -7.613 5.549 1.00 10.00 C ATOM 875 CG ASN A 57 -1.506 -8.395 4.784 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.317 -8.139 4.921 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.950 -9.307 3.922 1.00 10.00 N ATOM 0 H ASN A 57 -4.232 -6.755 7.044 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.288 -8.602 7.458 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.543 -8.051 5.352 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.591 -6.590 5.175 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.290 -9.825 3.342 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.951 -9.488 3.841 1.00 10.00 H new ATOM 884 N PHE A 58 -0.753 -5.698 7.082 1.00 10.00 N ATOM 885 CA PHE A 58 0.509 -5.021 7.340 1.00 10.00 C ATOM 886 C PHE A 58 0.906 -5.113 8.818 1.00 10.00 C ATOM 887 O PHE A 58 2.017 -5.540 9.141 1.00 10.00 O ATOM 888 CB PHE A 58 0.404 -3.561 6.885 1.00 10.00 C ATOM 889 CG PHE A 58 1.649 -2.739 7.147 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.834 -3.014 6.443 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.640 -1.728 8.126 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.987 -2.244 6.673 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.791 -0.955 8.353 1.00 10.00 C ATOM 894 CZ PHE A 58 3.962 -1.203 7.617 1.00 10.00 C ATOM 0 H PHE A 58 -1.456 -5.112 6.631 1.00 10.00 H new ATOM 0 HA PHE A 58 1.295 -5.517 6.771 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.186 -3.540 5.817 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.440 -3.094 7.392 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.859 -3.819 5.723 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.746 -1.546 8.704 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.893 -2.452 6.124 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.776 -0.169 9.094 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.840 -0.595 7.776 1.00 10.00 H new ATOM 904 N GLU A 59 0.000 -4.702 9.706 1.00 10.00 N ATOM 905 CA GLU A 59 0.258 -4.621 11.136 1.00 10.00 C ATOM 906 C GLU A 59 0.495 -6.018 11.722 1.00 10.00 C ATOM 907 O GLU A 59 1.535 -6.279 12.324 1.00 10.00 O ATOM 908 CB GLU A 59 -0.934 -3.910 11.790 1.00 10.00 C ATOM 909 CG GLU A 59 -1.006 -2.428 11.384 1.00 10.00 C ATOM 910 CD GLU A 59 0.123 -1.614 12.002 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.060 -1.384 13.229 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.120 -1.318 11.310 1.00 10.00 O ATOM 0 H GLU A 59 -0.943 -4.414 9.445 1.00 10.00 H new ATOM 0 HA GLU A 59 1.165 -4.050 11.334 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.859 -4.411 11.503 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -0.853 -3.987 12.874 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -0.960 -2.347 10.298 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.965 -2.013 11.694 1.00 10.00 H new ATOM 919 N ASP A 60 -0.484 -6.900 11.520 1.00 10.00 N ATOM 920 CA ASP A 60 -0.505 -8.334 11.776 1.00 10.00 C ATOM 921 C ASP A 60 0.858 -8.974 11.524 1.00 10.00 C ATOM 922 O ASP A 60 1.426 -9.612 12.408 1.00 10.00 O ATOM 923 CB ASP A 60 -1.562 -8.976 10.863 1.00 10.00 C ATOM 924 CG ASP A 60 -1.500 -10.495 10.915 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.162 -11.068 11.803 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.778 -11.047 10.053 1.00 10.00 O ATOM 0 H ASP A 60 -1.375 -6.591 11.132 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.751 -8.499 12.825 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.555 -8.641 11.164 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.410 -8.640 9.837 1.00 10.00 H new ATOM 931 N HIS A 61 1.396 -8.773 10.317 1.00 10.00 N ATOM 932 CA HIS A 61 2.658 -9.378 9.907 1.00 10.00 C ATOM 933 C HIS A 61 3.862 -8.887 10.729 1.00 10.00 C ATOM 934 O HIS A 61 4.955 -9.429 10.587 1.00 10.00 O ATOM 935 CB HIS A 61 2.864 -9.151 8.405 1.00 10.00 C ATOM 936 CG HIS A 61 1.926 -9.937 7.520 1.00 10.00 C ATOM 937 ND1 HIS A 61 0.764 -10.583 7.894 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.107 -10.162 6.183 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.267 -11.179 6.797 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.056 -10.966 5.730 1.00 10.00 N ATOM 0 H HIS A 61 0.967 -8.187 9.601 1.00 10.00 H new ATOM 0 HA HIS A 61 2.595 -10.448 10.106 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.742 -8.089 8.190 1.00 10.00 H new ATOM 0 HB3 HIS A 61 3.891 -9.412 8.148 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.358 -10.604 8.830 1.00 10.00 H new ATOM 0 HD2 HIS A 61 2.921 -9.784 5.581 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.647 -11.754 6.776 1.00 10.00 H new ATOM 948 N GLY A 62 3.689 -7.888 11.598 1.00 10.00 N ATOM 949 CA GLY A 62 4.712 -7.461 12.538 1.00 10.00 C ATOM 950 C GLY A 62 5.807 -6.660 11.842 1.00 10.00 C ATOM 951 O GLY A 62 6.976 -6.752 12.212 1.00 10.00 O ATOM 0 H GLY A 62 2.824 -7.352 11.664 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.258 -6.855 13.322 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.150 -8.333 13.023 1.00 10.00 H new ATOM 955 N HIS A 63 5.418 -5.854 10.852 1.00 10.00 N ATOM 956 CA HIS A 63 6.343 -5.024 10.098 1.00 10.00 C ATOM 957 C HIS A 63 7.112 -4.069 11.013 1.00 10.00 C ATOM 958 O HIS A 63 6.566 -3.562 11.994 1.00 10.00 O ATOM 959 CB HIS A 63 5.564 -4.264 9.024 1.00 10.00 C ATOM 960 CG HIS A 63 5.341 -5.102 7.797 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.263 -5.912 7.535 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.157 -5.126 6.704 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.419 -6.393 6.287 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.553 -5.923 5.730 1.00 10.00 N ATOM 0 H HIS A 63 4.447 -5.763 10.554 1.00 10.00 H new ATOM 0 HA HIS A 63 7.087 -5.660 9.619 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.602 -3.948 9.428 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.108 -3.359 8.752 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.489 -6.112 8.168 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.105 -4.617 6.609 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.729 -7.065 5.798 1.00 10.00 H new ATOM 972 N SER A 64 8.382 -3.820 10.698 1.00 10.00 N ATOM 973 CA SER A 64 9.266 -3.017 11.526 1.00 10.00 C ATOM 974 C SER A 64 8.738 -1.593 11.708 1.00 10.00 C ATOM 975 O SER A 64 7.981 -1.077 10.884 1.00 10.00 O ATOM 976 CB SER A 64 10.663 -2.999 10.898 1.00 10.00 C ATOM 977 OG SER A 64 10.577 -2.584 9.550 1.00 10.00 O ATOM 0 H SER A 64 8.826 -4.176 9.851 1.00 10.00 H new ATOM 0 HA SER A 64 9.314 -3.467 12.518 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.313 -2.324 11.455 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.110 -3.992 10.955 1.00 10.00 H new ATOM 0 HG SER A 64 11.078 -3.207 8.983 1.00 10.00 H new ATOM 983 N THR A 65 9.190 -0.930 12.775 1.00 10.00 N ATOM 984 CA THR A 65 9.141 0.513 12.948 1.00 10.00 C ATOM 985 C THR A 65 9.601 1.221 11.677 1.00 10.00 C ATOM 986 O THR A 65 9.039 2.232 11.275 1.00 10.00 O ATOM 987 CB THR A 65 10.107 0.839 14.100 1.00 10.00 C ATOM 988 OG1 THR A 65 11.162 -0.119 14.142 1.00 10.00 O ATOM 989 CG2 THR A 65 9.364 0.752 15.434 1.00 10.00 C ATOM 0 H THR A 65 9.616 -1.407 13.570 1.00 10.00 H new ATOM 0 HA THR A 65 8.126 0.847 13.162 1.00 10.00 H new ATOM 0 HB THR A 65 10.505 1.841 13.937 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.661 -0.093 13.299 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.050 0.983 16.249 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.541 1.466 15.439 1.00 10.00 H new ATOM 0 HG23 THR A 65 8.971 -0.256 15.566 1.00 10.00 H new ATOM 997 N ASP A 66 10.636 0.674 11.060 1.00 10.00 N ATOM 998 CA ASP A 66 11.322 1.174 9.894 1.00 10.00 C ATOM 999 C ASP A 66 10.391 1.066 8.682 1.00 10.00 C ATOM 1000 O ASP A 66 10.232 2.018 7.922 1.00 10.00 O ATOM 1001 CB ASP A 66 12.620 0.361 9.742 1.00 10.00 C ATOM 1002 CG ASP A 66 13.416 0.265 11.050 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.830 -0.243 12.041 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.580 0.715 11.043 1.00 10.00 O ATOM 0 H ASP A 66 11.045 -0.199 11.393 1.00 10.00 H new ATOM 0 HA ASP A 66 11.589 2.227 9.985 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.376 -0.643 9.395 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.244 0.820 8.975 1.00 10.00 H new ATOM 1009 N ALA A 67 9.719 -0.077 8.526 1.00 10.00 N ATOM 1010 CA ALA A 67 8.717 -0.282 7.498 1.00 10.00 C ATOM 1011 C ALA A 67 7.545 0.678 7.712 1.00 10.00 C ATOM 1012 O ALA A 67 7.040 1.285 6.771 1.00 10.00 O ATOM 1013 CB ALA A 67 8.246 -1.738 7.514 1.00 10.00 C ATOM 0 H ALA A 67 9.863 -0.892 9.122 1.00 10.00 H new ATOM 0 HA ALA A 67 9.152 -0.074 6.521 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.493 -1.885 6.739 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.094 -2.397 7.326 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.815 -1.970 8.488 1.00 10.00 H new ATOM 1019 N ARG A 68 7.117 0.816 8.967 1.00 10.00 N ATOM 1020 CA ARG A 68 6.152 1.809 9.425 1.00 10.00 C ATOM 1021 C ARG A 68 6.573 3.223 8.965 1.00 10.00 C ATOM 1022 O ARG A 68 5.809 3.928 8.301 1.00 10.00 O ATOM 1023 CB ARG A 68 6.024 1.676 10.960 1.00 10.00 C ATOM 1024 CG ARG A 68 4.731 0.995 11.452 1.00 10.00 C ATOM 1025 CD ARG A 68 4.856 -0.536 11.521 1.00 10.00 C ATOM 1026 NE ARG A 68 3.652 -1.153 12.124 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.632 -1.948 13.210 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.735 -2.579 13.618 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.510 -2.114 13.913 1.00 10.00 N ATOM 0 H ARG A 68 7.448 0.214 9.721 1.00 10.00 H new ATOM 0 HA ARG A 68 5.169 1.638 8.985 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.878 1.111 11.333 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.083 2.671 11.401 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.476 1.379 12.440 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.910 1.259 10.785 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.007 -0.935 10.518 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.735 -0.804 12.107 1.00 10.00 H new ATOM 0 HE ARG A 68 2.757 -0.958 11.676 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.609 -2.462 13.105 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.704 -3.178 14.443 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.655 -1.636 13.629 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.507 -2.719 14.734 1.00 10.00 H new ATOM 1043 N GLU A 69 7.804 3.636 9.273 1.00 10.00 N ATOM 1044 CA GLU A 69 8.371 4.913 8.850 1.00 10.00 C ATOM 1045 C GLU A 69 8.215 5.045 7.333 1.00 10.00 C ATOM 1046 O GLU A 69 7.628 6.003 6.826 1.00 10.00 O ATOM 1047 CB GLU A 69 9.844 4.978 9.300 1.00 10.00 C ATOM 1048 CG GLU A 69 10.479 6.376 9.249 1.00 10.00 C ATOM 1049 CD GLU A 69 9.870 7.366 10.229 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.078 6.959 11.109 1.00 10.00 O ATOM 1051 OE2 GLU A 69 10.065 8.587 10.032 1.00 10.00 O ATOM 0 H GLU A 69 8.446 3.078 9.836 1.00 10.00 H new ATOM 0 HA GLU A 69 7.848 5.752 9.310 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.913 4.601 10.321 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.430 4.307 8.672 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.546 6.287 9.453 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.380 6.773 8.239 1.00 10.00 H new ATOM 1058 N LEU A 70 8.678 4.019 6.619 1.00 10.00 N ATOM 1059 CA LEU A 70 8.514 3.919 5.178 1.00 10.00 C ATOM 1060 C LEU A 70 7.056 4.116 4.749 1.00 10.00 C ATOM 1061 O LEU A 70 6.795 4.792 3.760 1.00 10.00 O ATOM 1062 CB LEU A 70 9.078 2.587 4.645 1.00 10.00 C ATOM 1063 CG LEU A 70 10.355 2.716 3.800 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.299 3.874 2.796 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.577 2.852 4.710 1.00 10.00 C ATOM 0 H LEU A 70 9.179 3.232 7.031 1.00 10.00 H new ATOM 0 HA LEU A 70 9.089 4.731 4.733 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.285 1.932 5.492 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.310 2.099 4.045 1.00 10.00 H new ATOM 0 HG LEU A 70 10.438 1.803 3.211 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.230 3.911 2.231 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.465 3.722 2.111 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.162 4.813 3.331 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.476 2.943 4.101 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.470 3.740 5.333 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.657 1.970 5.346 1.00 10.00 H new ATOM 1077 N SER A 71 6.088 3.564 5.483 1.00 10.00 N ATOM 1078 CA SER A 71 4.681 3.728 5.146 1.00 10.00 C ATOM 1079 C SER A 71 4.309 5.210 5.124 1.00 10.00 C ATOM 1080 O SER A 71 3.613 5.654 4.213 1.00 10.00 O ATOM 1081 CB SER A 71 3.788 2.850 6.045 1.00 10.00 C ATOM 1082 OG SER A 71 3.372 3.500 7.226 1.00 10.00 O ATOM 0 H SER A 71 6.258 2.999 6.315 1.00 10.00 H new ATOM 0 HA SER A 71 4.499 3.364 4.135 1.00 10.00 H new ATOM 0 HB2 SER A 71 2.909 2.541 5.480 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.332 1.943 6.310 1.00 10.00 H new ATOM 0 HG SER A 71 4.154 3.864 7.692 1.00 10.00 H new ATOM 1088 N LYS A 72 4.834 5.993 6.070 1.00 10.00 N ATOM 1089 CA LYS A 72 4.626 7.441 6.030 1.00 10.00 C ATOM 1090 C LYS A 72 5.151 7.996 4.707 1.00 10.00 C ATOM 1091 O LYS A 72 4.440 8.696 3.995 1.00 10.00 O ATOM 1092 CB LYS A 72 5.294 8.147 7.216 1.00 10.00 C ATOM 1093 CG LYS A 72 5.074 7.401 8.537 1.00 10.00 C ATOM 1094 CD LYS A 72 5.524 8.221 9.755 1.00 10.00 C ATOM 1095 CE LYS A 72 6.921 8.816 9.523 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.658 9.073 10.773 1.00 10.00 N ATOM 0 H LYS A 72 5.393 5.659 6.855 1.00 10.00 H new ATOM 0 HA LYS A 72 3.556 7.634 6.106 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.364 8.238 7.026 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.899 9.159 7.303 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.017 7.153 8.640 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.622 6.459 8.514 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.809 9.022 9.945 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.536 7.587 10.642 1.00 10.00 H new ATOM 0 HE2 LYS A 72 7.501 8.134 8.901 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.824 9.749 8.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 8.616 9.410 10.548 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.158 9.797 11.328 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 7.721 8.194 11.326 1.00 10.00 H new ATOM 1110 N THR A 73 6.388 7.643 4.362 1.00 10.00 N ATOM 1111 CA THR A 73 7.022 8.035 3.107 1.00 10.00 C ATOM 1112 C THR A 73 6.139 7.666 1.906 1.00 10.00 C ATOM 1113 O THR A 73 6.046 8.421 0.943 1.00 10.00 O ATOM 1114 CB THR A 73 8.410 7.381 3.017 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.044 7.480 4.278 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.297 8.035 1.957 1.00 10.00 C ATOM 0 H THR A 73 6.986 7.068 4.956 1.00 10.00 H new ATOM 0 HA THR A 73 7.145 9.118 3.085 1.00 10.00 H new ATOM 0 HB THR A 73 8.269 6.340 2.728 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.930 7.064 4.232 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.266 7.536 1.935 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.821 7.948 0.980 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.438 9.088 2.200 1.00 10.00 H new ATOM 1124 N PHE A 74 5.497 6.497 1.968 1.00 10.00 N ATOM 1125 CA PHE A 74 4.648 5.968 0.912 1.00 10.00 C ATOM 1126 C PHE A 74 3.249 6.578 0.866 1.00 10.00 C ATOM 1127 O PHE A 74 2.507 6.261 -0.064 1.00 10.00 O ATOM 1128 CB PHE A 74 4.514 4.457 1.089 1.00 10.00 C ATOM 1129 CG PHE A 74 5.797 3.653 1.102 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.920 4.035 0.340 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.786 2.400 1.734 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.042 3.193 0.272 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.831 1.498 1.515 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.011 1.938 0.905 1.00 10.00 C ATOM 0 H PHE A 74 5.559 5.880 2.778 1.00 10.00 H new ATOM 0 HA PHE A 74 5.134 6.230 -0.028 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.987 4.270 2.025 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.883 4.076 0.286 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.917 4.975 -0.191 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.970 2.133 2.389 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.925 3.508 -0.264 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.728 0.466 1.815 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.894 1.316 0.920 1.00 10.00 H new ATOM 1144 N ILE A 75 2.857 7.395 1.849 1.00 10.00 N ATOM 1145 CA ILE A 75 1.582 8.117 1.760 1.00 10.00 C ATOM 1146 C ILE A 75 1.449 8.862 0.424 1.00 10.00 C ATOM 1147 O ILE A 75 2.364 9.585 0.036 1.00 10.00 O ATOM 1148 CB ILE A 75 1.425 9.114 2.925 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.093 8.420 4.247 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.380 10.213 2.649 1.00 10.00 C ATOM 1151 CD1 ILE A 75 -0.260 7.720 4.282 1.00 10.00 C ATOM 0 H ILE A 75 3.391 7.572 2.700 1.00 10.00 H new ATOM 0 HA ILE A 75 0.790 7.371 1.823 1.00 10.00 H new ATOM 0 HB ILE A 75 2.401 9.591 3.012 1.00 10.00 H new ATOM 0 HG12 ILE A 75 1.871 7.687 4.461 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.124 9.160 5.047 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.319 10.881 3.508 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.675 10.782 1.767 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.594 9.754 2.476 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -0.405 7.258 5.258 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -1.051 8.448 4.104 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.293 6.952 3.509 1.00 10.00 H new ATOM 1163 N ILE A 76 0.286 8.749 -0.235 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.033 9.545 -1.426 1.00 10.00 C ATOM 1165 C ILE A 76 -1.405 10.233 -1.366 1.00 10.00 C ATOM 1166 O ILE A 76 -1.697 11.058 -2.233 1.00 10.00 O ATOM 1167 CB ILE A 76 0.093 8.697 -2.710 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.938 7.555 -2.790 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.511 8.136 -2.864 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -2.164 7.944 -3.622 1.00 10.00 C ATOM 0 H ILE A 76 -0.456 8.106 0.042 1.00 10.00 H new ATOM 0 HA ILE A 76 0.706 10.346 -1.450 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.119 9.376 -3.536 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.469 6.673 -3.227 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.255 7.282 -1.783 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.571 7.543 -3.777 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.224 8.959 -2.919 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.748 7.507 -2.006 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -2.864 7.109 -3.651 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.650 8.809 -3.171 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -1.852 8.191 -4.637 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.270 9.884 -0.407 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.716 10.028 -0.580 1.00 10.00 C ATOM 1184 C GLY A 77 -4.421 9.413 0.604 1.00 10.00 C ATOM 1185 O GLY A 77 -3.758 8.906 1.513 1.00 10.00 O ATOM 0 H GLY A 77 -1.992 9.500 0.496 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.981 11.082 -0.669 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.034 9.541 -1.501 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.754 9.428 0.576 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.551 8.864 1.627 1.00 10.00 C ATOM 1191 C GLU A 78 -7.824 8.251 1.059 1.00 10.00 C ATOM 1192 O GLU A 78 -8.383 8.774 0.105 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.962 9.992 2.569 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.863 10.998 3.003 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.410 12.089 2.014 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.909 12.154 0.870 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.577 12.913 2.445 1.00 10.00 O ATOM 0 H GLU A 78 -6.297 9.836 -0.185 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.973 8.096 2.141 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.763 10.555 2.090 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.381 9.543 3.469 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.214 11.499 3.905 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.981 10.421 3.281 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.306 7.192 1.697 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.527 6.495 1.333 1.00 10.00 C ATOM 1206 C LEU A 79 -10.699 7.465 1.398 1.00 10.00 C ATOM 1207 O LEU A 79 -11.008 7.981 2.471 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.734 5.350 2.327 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.986 4.520 2.034 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.700 3.442 0.993 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.449 3.871 3.333 1.00 10.00 C ATOM 0 H LEU A 79 -7.841 6.784 2.508 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.458 6.099 0.320 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.861 4.698 2.308 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.804 5.760 3.335 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.762 5.173 1.634 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.607 2.868 0.805 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.368 3.910 0.066 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.920 2.777 1.363 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.342 3.275 3.144 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.659 3.228 3.721 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.679 4.645 4.065 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.344 7.722 0.261 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.406 8.698 0.206 1.00 10.00 C ATOM 1225 C HIS A 80 -13.593 8.324 1.083 1.00 10.00 C ATOM 1226 O HIS A 80 -14.275 7.371 0.750 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.866 8.927 -1.230 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.803 10.095 -1.290 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.170 10.054 -1.125 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.391 11.364 -0.998 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.564 11.283 -0.748 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.514 12.114 -0.645 1.00 10.00 N ATOM 0 H HIS A 80 -11.143 7.263 -0.628 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.991 9.626 0.600 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.004 9.109 -1.872 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.362 8.033 -1.608 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.374 11.724 -1.034 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.588 11.564 -0.554 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.533 13.095 -0.365 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.912 9.079 2.142 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.849 8.649 3.164 1.00 10.00 C ATOM 1242 C PRO A 81 -16.226 8.164 2.774 1.00 10.00 C ATOM 1243 O PRO A 81 -16.882 7.526 3.587 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.086 9.890 4.003 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.742 10.601 3.976 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.245 10.306 2.564 1.00 10.00 C ATOM 0 HA PRO A 81 -14.383 7.773 3.615 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -15.877 10.512 3.584 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.385 9.636 5.020 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.845 11.671 4.155 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.062 10.214 4.735 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -13.481 11.129 1.889 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.162 10.184 2.551 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.680 8.464 1.565 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.881 7.829 1.045 1.00 10.00 C ATOM 1256 C ASP A 82 -17.800 6.300 1.239 1.00 10.00 C ATOM 1257 O ASP A 82 -18.796 5.623 1.482 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.036 8.211 -0.430 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.332 7.669 -1.013 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.388 8.234 -0.658 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.231 6.736 -1.836 1.00 10.00 O ATOM 0 H ASP A 82 -16.241 9.134 0.934 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.761 8.174 1.588 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.017 9.296 -0.530 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.190 7.824 -0.998 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.565 5.790 1.197 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.147 4.437 1.483 1.00 10.00 C ATOM 1268 C ASP A 83 -16.525 3.910 2.878 1.00 10.00 C ATOM 1269 O ASP A 83 -16.763 2.711 3.022 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.624 4.425 1.284 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.163 3.056 0.801 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.023 2.131 1.630 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.934 2.950 -0.418 1.00 10.00 O ATOM 0 H ASP A 83 -15.771 6.375 0.938 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.675 3.759 0.813 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.339 5.188 0.560 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.126 4.674 2.221 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.495 4.758 3.918 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.569 4.344 5.323 1.00 10.00 C ATOM 1280 C ARG A 84 -17.411 5.329 6.138 1.00 10.00 C ATOM 1281 O ARG A 84 -16.836 6.348 6.581 1.00 10.00 O ATOM 1282 CB ARG A 84 -15.156 4.228 5.932 1.00 10.00 C ATOM 1283 CG ARG A 84 -14.211 3.316 5.146 1.00 10.00 C ATOM 1284 CD ARG A 84 -14.555 1.824 5.220 1.00 10.00 C ATOM 1285 NE ARG A 84 -13.998 1.163 4.035 1.00 10.00 N ATOM 1286 CZ ARG A 84 -12.794 0.595 3.888 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -12.057 0.260 4.950 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -12.337 0.408 2.651 1.00 10.00 N ATOM 1289 OXT ARG A 84 -18.604 5.023 6.349 1.00 10.00 O ATOM 0 H ARG A 84 -16.417 5.768 3.801 1.00 10.00 H new ATOM 0 HA ARG A 84 -17.048 3.365 5.359 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.716 5.223 5.994 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.241 3.853 6.952 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.215 3.625 4.101 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.196 3.460 5.517 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -14.144 1.384 6.129 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -15.635 1.685 5.260 1.00 10.00 H new ATOM 0 HE ARG A 84 -14.606 1.132 3.217 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.409 0.436 5.891 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.142 -0.172 4.820 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -12.900 0.695 1.850 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -11.424 -0.022 2.504 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.194 -6.079 3.865 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.613 -8.358 4.902 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.457 -3.486 4.362 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.700 -3.782 3.159 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.010 -8.705 3.234 1.00 10.00 C HETATM 1309 NA HEM A 201 8.183 -5.949 4.475 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.948 -7.001 4.887 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.178 -6.453 5.415 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.185 -5.108 5.120 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.879 -4.783 4.614 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.286 -4.112 5.408 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.077 -7.134 6.425 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.514 -6.993 7.847 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.387 -5.531 8.270 1.00 10.00 C HETATM 1318 O1A HEM A 201 11.441 -4.888 8.459 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.242 -5.047 8.399 1.00 10.00 O HETATM 1320 NB HEM A 201 6.112 -4.024 3.721 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.160 -3.172 3.970 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.697 -1.822 3.773 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.366 -1.919 3.441 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.986 -3.309 3.419 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.534 -0.580 3.947 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.424 -0.772 3.137 1.00 10.00 C HETATM 1327 CBB HEM A 201 4.130 0.124 4.096 1.00 10.00 C HETATM 1328 NC HEM A 201 4.212 -6.214 3.331 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.378 -5.138 3.120 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.059 -5.663 2.852 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.197 -7.025 2.803 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.539 -7.391 3.150 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.756 -4.911 2.740 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.229 -7.952 2.116 1.00 10.00 C HETATM 1335 CBC HEM A 201 1.158 -7.880 0.776 1.00 10.00 C HETATM 1336 ND HEM A 201 6.297 -8.171 4.030 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.293 -9.024 3.682 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.775 -10.368 3.893 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.078 -10.275 4.329 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.391 -8.868 4.455 1.00 10.00 C HETATM 1341 CMD HEM A 201 4.988 -11.643 3.696 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.032 -11.439 4.503 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.189 -11.917 5.954 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.251 -11.117 6.698 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.410 -11.143 6.228 1.00 10.00 O HETATM 1346 O2D HEM A 201 8.885 -10.463 7.695 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.193 -3.261 4.733 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.255 -4.588 5.260 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.205 -3.768 6.439 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.297 -0.759 4.705 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.897 0.247 4.261 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.014 -0.329 3.001 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.093 -5.433 2.051 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.947 -3.905 2.367 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.285 -4.851 3.721 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.933 -11.453 3.891 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.352 -12.405 4.385 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.111 -11.992 2.671 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.453 0.950 3.881 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.569 0.024 5.089 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 0.473 -8.529 0.231 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.785 -7.172 0.234 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.163 -7.518 8.548 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.536 -7.472 7.899 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.075 -6.698 6.380 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.178 -8.190 6.173 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 8.457 -12.974 5.962 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.235 -11.826 6.473 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.011 -11.151 4.120 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.684 -12.273 3.894 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.344 -9.056 5.283 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.169 -2.682 4.476 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.915 -3.062 2.979 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.352 -9.509 2.939 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.986 -0.673 2.144 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.613 -8.651 2.681 1.00 10.00 H new