USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 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= -0.697 K(o=-3.7,f=-5.8!) USER MOD Set 1.2: A 57 ASN : amide:sc= -3.03 K(o=-3.7,f=-2.2) USER MOD Set 2.1: A 45 HIS : no HE2:sc= -0.519 K(o=-2.9,f=-7.9!) USER MOD Set 2.2: A 201 HEM CMD :methyl 150:sc= -2.34 (180deg=-0.725) USER MOD Set 3.1: A 30 TYR OH : rot -157:sc= 0.659 USER MOD Set 3.2: A 71 SER OG : rot -85:sc= 1.61 USER MOD Set 4.1: A 16 ASN : amide:sc= 0.497 K(o=1.2,f=-1.8) USER MOD Set 4.2: A 17 ASN : amide:sc= 0.684 K(o=1.2,f=-0.13) USER MOD Set 5.1: A 15 HIS : no HE2:sc= -0.178 K(o=1.8,f=-5.3!) USER MOD Set 5.2: A 20 SER OG : rot 145:sc= 2.01 USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= -0.0712 (180deg=-0.808) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 19:sc= 1.02 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.254 X(o=0.25,f=-0.2) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0.483 (180deg=-0.0816) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.276 USER MOD Single : A 26 HIS : no HD1:sc= -0.44 K(o=-0.44,f=-1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.904 (180deg=0.895) USER MOD Single : A 33 THR OG1 : rot 103:sc= 1.41 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 37:sc= 1.29 USER MOD Single : A 64 SER OG : rot 134:sc= 1.25 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= 0.815 (180deg=-1.92!) USER MOD Single : A 73 THR OG1 : rot -38:sc= 0.735 USER MOD Single : A 80 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-7!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0922 (180deg=-0.606) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -3.29 (180deg=-3.29) USER MOD Single : A 201 HEM CMC :methyl -30:sc= 0 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 5.099 2.232 -17.373 1.00 0.00 N ATOM 2 CA ALA A 3 3.776 1.662 -17.031 1.00 0.00 C ATOM 3 C ALA A 3 3.873 0.807 -15.762 1.00 0.00 C ATOM 4 O ALA A 3 4.985 0.468 -15.366 1.00 0.00 O ATOM 5 CB ALA A 3 3.233 0.837 -18.203 1.00 0.00 C ATOM 0 HA ALA A 3 3.082 2.480 -16.838 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.260 0.424 -17.937 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.129 1.476 -19.080 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.924 0.024 -18.426 1.00 0.00 H new ATOM 13 N VAL A 4 2.746 0.467 -15.131 1.00 0.00 N ATOM 14 CA VAL A 4 2.740 -0.420 -13.967 1.00 0.00 C ATOM 15 C VAL A 4 3.118 -1.856 -14.364 1.00 0.00 C ATOM 16 O VAL A 4 2.713 -2.325 -15.424 1.00 0.00 O ATOM 17 CB VAL A 4 1.375 -0.375 -13.252 1.00 0.00 C ATOM 18 CG1 VAL A 4 1.033 1.051 -12.805 1.00 0.00 C ATOM 19 CG2 VAL A 4 0.210 -0.922 -14.089 1.00 0.00 C ATOM 0 H VAL A 4 1.821 0.795 -15.410 1.00 0.00 H new ATOM 0 HA VAL A 4 3.495 -0.065 -13.266 1.00 0.00 H new ATOM 0 HB VAL A 4 1.491 -1.030 -12.389 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.065 1.053 -12.304 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.799 1.410 -12.117 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.992 1.705 -13.676 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.714 -0.855 -13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.112 -0.336 -15.003 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.403 -1.964 -14.345 1.00 0.00 H new ATOM 29 N LYS A 5 3.878 -2.559 -13.514 1.00 0.00 N ATOM 30 CA LYS A 5 4.211 -3.970 -13.733 1.00 0.00 C ATOM 31 C LYS A 5 3.269 -4.952 -13.036 1.00 0.00 C ATOM 32 O LYS A 5 3.379 -6.149 -13.285 1.00 0.00 O ATOM 33 CB LYS A 5 5.686 -4.245 -13.395 1.00 0.00 C ATOM 34 CG LYS A 5 6.006 -4.130 -11.895 1.00 0.00 C ATOM 35 CD LYS A 5 7.167 -5.036 -11.449 1.00 0.00 C ATOM 36 CE LYS A 5 8.557 -4.557 -11.887 1.00 0.00 C ATOM 37 NZ LYS A 5 8.806 -4.814 -13.321 1.00 0.00 N ATOM 0 H LYS A 5 4.276 -2.167 -12.661 1.00 0.00 H new ATOM 0 HA LYS A 5 4.062 -4.152 -14.797 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.948 -5.246 -13.738 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.313 -3.544 -13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.252 -3.094 -11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.115 -4.383 -11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.151 -5.116 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.001 -6.038 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.652 -3.489 -11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.318 -5.061 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.830 -4.884 -13.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.348 -5.706 -13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.415 -4.033 -13.887 1.00 0.00 H new ATOM 47 N TYR A 6 2.383 -4.446 -12.167 1.00 0.00 N ATOM 48 CA TYR A 6 1.539 -5.238 -11.275 1.00 0.00 C ATOM 49 C TYR A 6 2.346 -6.038 -10.252 1.00 0.00 C ATOM 50 O TYR A 6 3.534 -6.305 -10.426 1.00 0.00 O ATOM 51 CB TYR A 6 0.592 -6.152 -12.060 1.00 0.00 C ATOM 52 CG TYR A 6 -0.318 -5.503 -13.089 1.00 0.00 C ATOM 53 CD1 TYR A 6 -0.797 -4.192 -12.919 1.00 0.00 C ATOM 54 CD2 TYR A 6 -0.730 -6.245 -14.213 1.00 0.00 C ATOM 55 CE1 TYR A 6 -1.814 -3.699 -13.754 1.00 0.00 C ATOM 56 CE2 TYR A 6 -1.681 -5.712 -15.103 1.00 0.00 C ATOM 57 CZ TYR A 6 -2.254 -4.459 -14.845 1.00 0.00 C ATOM 58 OH TYR A 6 -3.283 -4.010 -15.612 1.00 0.00 O ATOM 0 H TYR A 6 2.233 -3.442 -12.066 1.00 0.00 H new ATOM 0 HA TYR A 6 0.936 -4.524 -10.714 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.196 -6.902 -12.571 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.035 -6.682 -11.343 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.383 -3.563 -12.145 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.315 -7.226 -14.392 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.256 -2.734 -13.554 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.969 -6.267 -15.983 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.463 -4.655 -16.328 1.00 0.00 H new ATOM 67 N TYR A 7 1.686 -6.383 -9.148 1.00 0.00 N ATOM 68 CA TYR A 7 2.280 -7.190 -8.099 1.00 0.00 C ATOM 69 C TYR A 7 1.197 -8.114 -7.572 1.00 0.00 C ATOM 70 O TYR A 7 0.173 -7.642 -7.091 1.00 0.00 O ATOM 71 CB TYR A 7 2.873 -6.302 -6.998 1.00 0.00 C ATOM 72 CG TYR A 7 3.693 -5.144 -7.503 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.053 -3.981 -7.966 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.076 -5.296 -7.675 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.792 -3.030 -8.685 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.836 -4.220 -8.149 1.00 0.00 C ATOM 77 CZ TYR A 7 5.192 -3.089 -8.678 1.00 0.00 C ATOM 78 OH TYR A 7 5.899 -2.086 -9.268 1.00 0.00 O ATOM 0 H TYR A 7 0.722 -6.107 -8.961 1.00 0.00 H new ATOM 0 HA TYR A 7 3.109 -7.783 -8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.060 -5.915 -6.384 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.497 -6.917 -6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.003 -3.821 -7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.552 -6.237 -7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.284 -2.256 -9.241 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.915 -4.259 -8.108 1.00 0.00 H new ATOM 0 HH TYR A 7 5.330 -1.294 -9.358 1.00 0.00 H new ATOM 87 N THR A 8 1.390 -9.423 -7.698 1.00 0.00 N ATOM 88 CA THR A 8 0.433 -10.366 -7.139 1.00 0.00 C ATOM 89 C THR A 8 0.449 -10.212 -5.628 1.00 0.00 C ATOM 90 O THR A 8 1.483 -9.918 -5.026 1.00 0.00 O ATOM 91 CB THR A 8 0.779 -11.800 -7.551 1.00 0.00 C ATOM 92 OG1 THR A 8 2.109 -12.089 -7.169 1.00 0.00 O ATOM 93 CG2 THR A 8 0.646 -11.971 -9.066 1.00 0.00 C ATOM 0 H THR A 8 2.186 -9.848 -8.174 1.00 0.00 H new ATOM 0 HA THR A 8 -0.566 -10.157 -7.521 1.00 0.00 H new ATOM 0 HB THR A 8 0.088 -12.482 -7.055 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.332 -13.007 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.896 -12.996 -9.340 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.379 -11.754 -9.368 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.326 -11.285 -9.571 1.00 0.00 H new ATOM 101 N LEU A 9 -0.699 -10.409 -5.001 1.00 0.00 N ATOM 102 CA LEU A 9 -0.862 -10.393 -3.562 1.00 0.00 C ATOM 103 C LEU A 9 0.131 -11.320 -2.869 1.00 0.00 C ATOM 104 O LEU A 9 0.486 -11.071 -1.729 1.00 0.00 O ATOM 105 CB LEU A 9 -2.267 -10.858 -3.282 1.00 0.00 C ATOM 106 CG LEU A 9 -2.805 -10.628 -1.862 1.00 0.00 C ATOM 107 CD1 LEU A 9 -3.043 -9.143 -1.568 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.127 -11.387 -1.720 1.00 0.00 C ATOM 0 H LEU A 9 -1.570 -10.590 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.679 -9.389 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.936 -10.359 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.320 -11.925 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.062 -10.988 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.423 -9.029 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.105 -8.597 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.771 -8.744 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.527 -11.237 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.841 -11.015 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.956 -12.450 -1.887 1.00 0.00 H new ATOM 119 N GLU A 10 0.583 -12.391 -3.531 1.00 0.00 N ATOM 120 CA GLU A 10 1.733 -13.146 -3.033 1.00 0.00 C ATOM 121 C GLU A 10 2.897 -12.172 -2.759 1.00 0.00 C ATOM 122 O GLU A 10 3.465 -12.153 -1.669 1.00 0.00 O ATOM 123 CB GLU A 10 2.157 -14.279 -3.996 1.00 0.00 C ATOM 124 CG GLU A 10 3.677 -14.481 -3.823 1.00 0.00 C ATOM 125 CD GLU A 10 4.327 -15.791 -4.209 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.658 -16.654 -4.810 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.529 -15.850 -3.854 1.00 0.00 O ATOM 0 H GLU A 10 0.178 -12.748 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 10 1.445 -13.637 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.618 -15.199 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.919 -14.017 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.173 -13.696 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.907 -14.305 -2.772 1.00 0.00 H new ATOM 132 N GLU A 11 3.291 -11.384 -3.763 1.00 0.00 N ATOM 133 CA GLU A 11 4.351 -10.400 -3.626 1.00 0.00 C ATOM 134 C GLU A 11 3.974 -9.407 -2.546 1.00 0.00 C ATOM 135 O GLU A 11 4.688 -9.267 -1.560 1.00 0.00 O ATOM 136 CB GLU A 11 4.679 -9.732 -4.984 1.00 0.00 C ATOM 137 CG GLU A 11 6.192 -9.512 -5.153 1.00 0.00 C ATOM 138 CD GLU A 11 6.947 -10.770 -5.577 1.00 0.00 C ATOM 139 OE1 GLU A 11 7.038 -11.698 -4.743 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.425 -10.782 -6.729 1.00 0.00 O ATOM 0 H GLU A 11 2.878 -11.416 -4.695 1.00 0.00 H new ATOM 0 HA GLU A 11 5.273 -10.892 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.308 -10.356 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.161 -8.776 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.357 -8.731 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.606 -9.149 -4.212 1.00 0.00 H new ATOM 145 N ILE A 12 2.795 -8.802 -2.670 1.00 0.00 N ATOM 146 CA ILE A 12 2.326 -7.852 -1.671 1.00 0.00 C ATOM 147 C ILE A 12 2.413 -8.409 -0.247 1.00 0.00 C ATOM 148 O ILE A 12 2.905 -7.730 0.654 1.00 0.00 O ATOM 149 CB ILE A 12 0.926 -7.310 -2.006 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.706 -6.975 -3.493 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.663 -6.030 -1.214 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.743 -6.590 -3.777 1.00 0.00 C ATOM 0 H ILE A 12 2.153 -8.953 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 12 3.007 -7.001 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 12 0.242 -8.117 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.364 -6.155 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.980 -7.835 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.330 -5.650 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.720 -6.244 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.411 -5.281 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.858 -6.361 -4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.399 -7.420 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.009 -5.714 -3.186 1.00 0.00 H new ATOM 163 N GLN A 13 2.041 -9.674 -0.048 1.00 0.00 N ATOM 164 CA GLN A 13 2.114 -10.276 1.282 1.00 0.00 C ATOM 165 C GLN A 13 3.514 -10.288 1.891 1.00 0.00 C ATOM 166 O GLN A 13 3.655 -10.328 3.113 1.00 0.00 O ATOM 167 CB GLN A 13 1.591 -11.709 1.251 1.00 0.00 C ATOM 168 CG GLN A 13 0.060 -11.761 1.398 1.00 0.00 C ATOM 169 CD GLN A 13 -0.451 -11.252 2.743 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.523 -12.000 3.709 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.835 -9.984 2.836 1.00 0.00 N ATOM 0 H GLN A 13 1.691 -10.293 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 13 1.492 -9.641 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.883 -12.182 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.053 -12.282 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.392 -11.169 0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.274 -12.789 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.770 -9.371 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.195 -9.624 3.720 1.00 0.00 H new ATOM 178 N LYS A 14 4.552 -10.284 1.056 1.00 0.00 N ATOM 179 CA LYS A 14 5.918 -10.278 1.544 1.00 0.00 C ATOM 180 C LYS A 14 6.344 -8.877 2.047 1.00 0.00 C ATOM 181 O LYS A 14 7.349 -8.762 2.746 1.00 0.00 O ATOM 182 CB LYS A 14 6.846 -10.826 0.439 1.00 0.00 C ATOM 183 CG LYS A 14 7.167 -12.333 0.558 1.00 0.00 C ATOM 184 CD LYS A 14 6.508 -13.185 -0.540 1.00 0.00 C ATOM 185 CE LYS A 14 7.212 -13.006 -1.895 1.00 0.00 C ATOM 186 NZ LYS A 14 6.393 -13.488 -3.028 1.00 0.00 N ATOM 0 H LYS A 14 4.467 -10.285 0.040 1.00 0.00 H new ATOM 0 HA LYS A 14 5.996 -10.930 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.383 -10.642 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.781 -10.266 0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.247 -12.471 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.837 -12.692 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.535 -14.236 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.458 -12.908 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.446 -11.952 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.160 -13.544 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.841 -13.209 -3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.319 -14.525 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.442 -13.070 -2.972 1.00 0.00 H new ATOM 196 N HIS A 15 5.598 -7.812 1.709 1.00 0.00 N ATOM 197 CA HIS A 15 5.923 -6.423 2.054 1.00 0.00 C ATOM 198 C HIS A 15 5.026 -5.842 3.157 1.00 0.00 C ATOM 199 O HIS A 15 4.058 -5.129 2.891 1.00 0.00 O ATOM 200 CB HIS A 15 5.821 -5.556 0.805 1.00 0.00 C ATOM 201 CG HIS A 15 6.859 -5.860 -0.233 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.043 -5.187 -0.399 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.724 -6.734 -1.271 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.641 -5.690 -1.492 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.881 -6.644 -2.054 1.00 0.00 N ATOM 0 H HIS A 15 4.733 -7.898 1.176 1.00 0.00 H new ATOM 0 HA HIS A 15 6.940 -6.424 2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.832 -5.686 0.365 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.906 -4.508 1.094 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.403 -4.442 0.197 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.878 -7.379 -1.456 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.602 -5.371 -1.867 1.00 0.00 H new ATOM 212 N ASN A 16 5.390 -6.098 4.411 1.00 0.00 N ATOM 213 CA ASN A 16 4.684 -5.596 5.594 1.00 0.00 C ATOM 214 C ASN A 16 5.587 -5.485 6.834 1.00 0.00 C ATOM 215 O ASN A 16 5.101 -5.531 7.962 1.00 0.00 O ATOM 216 CB ASN A 16 3.469 -6.499 5.850 1.00 0.00 C ATOM 217 CG ASN A 16 3.829 -7.975 5.745 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.942 -8.390 6.062 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.912 -8.770 5.215 1.00 0.00 N ATOM 0 H ASN A 16 6.201 -6.672 4.641 1.00 0.00 H new ATOM 0 HA ASN A 16 4.355 -4.576 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.066 -6.293 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.684 -6.264 5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.120 -9.756 5.060 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.997 -8.396 4.962 1.00 0.00 H new ATOM 225 N ASN A 17 6.902 -5.344 6.646 1.00 0.00 N ATOM 226 CA ASN A 17 7.870 -5.299 7.742 1.00 0.00 C ATOM 227 C ASN A 17 9.020 -4.354 7.373 1.00 0.00 C ATOM 228 O ASN A 17 8.982 -3.733 6.314 1.00 0.00 O ATOM 229 CB ASN A 17 8.354 -6.737 8.014 1.00 0.00 C ATOM 230 CG ASN A 17 7.408 -7.501 8.936 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.556 -7.444 10.149 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.448 -8.247 8.407 1.00 0.00 N ATOM 0 H ASN A 17 7.326 -5.257 5.722 1.00 0.00 H new ATOM 0 HA ASN A 17 7.419 -4.909 8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.447 -7.272 7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.347 -6.705 8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.824 -8.780 9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.333 -8.288 7.394 1.00 0.00 H new ATOM 238 N SER A 18 10.082 -4.287 8.187 1.00 0.00 N ATOM 239 CA SER A 18 11.334 -3.596 7.854 1.00 0.00 C ATOM 240 C SER A 18 11.807 -3.888 6.418 1.00 0.00 C ATOM 241 O SER A 18 12.421 -3.044 5.772 1.00 0.00 O ATOM 242 CB SER A 18 12.399 -3.992 8.883 1.00 0.00 C ATOM 243 OG SER A 18 11.837 -3.946 10.182 1.00 0.00 O ATOM 0 H SER A 18 10.095 -4.719 9.111 1.00 0.00 H new ATOM 0 HA SER A 18 11.159 -2.521 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.771 -4.994 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.251 -3.316 8.819 1.00 0.00 H new ATOM 0 HG SER A 18 12.516 -4.201 10.841 1.00 0.00 H new ATOM 248 N LYS A 19 11.492 -5.096 5.931 1.00 0.00 N ATOM 249 CA LYS A 19 11.571 -5.532 4.538 1.00 0.00 C ATOM 250 C LYS A 19 11.193 -4.408 3.565 1.00 0.00 C ATOM 251 O LYS A 19 11.948 -4.041 2.666 1.00 0.00 O ATOM 252 CB LYS A 19 10.535 -6.663 4.392 1.00 0.00 C ATOM 253 CG LYS A 19 10.497 -7.374 3.030 1.00 0.00 C ATOM 254 CD LYS A 19 11.823 -8.010 2.576 1.00 0.00 C ATOM 255 CE LYS A 19 12.628 -7.091 1.642 1.00 0.00 C ATOM 256 NZ LYS A 19 13.783 -7.796 1.043 1.00 0.00 N ATOM 0 H LYS A 19 11.154 -5.839 6.542 1.00 0.00 H new ATOM 0 HA LYS A 19 12.589 -5.843 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.730 -7.409 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.546 -6.250 4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.735 -8.153 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.181 -6.655 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.426 -8.250 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.615 -8.950 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.979 -6.718 0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.981 -6.224 2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.302 -7.145 0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.415 -8.130 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.445 -8.609 0.490 1.00 0.00 H new ATOM 266 N SER A 20 9.964 -3.939 3.761 1.00 0.00 N ATOM 267 CA SER A 20 9.236 -2.866 3.100 1.00 0.00 C ATOM 268 C SER A 20 7.751 -2.964 3.497 1.00 0.00 C ATOM 269 O SER A 20 7.307 -4.025 3.944 1.00 0.00 O ATOM 270 CB SER A 20 9.490 -2.827 1.578 1.00 0.00 C ATOM 271 OG SER A 20 8.291 -2.683 0.840 1.00 0.00 O ATOM 0 H SER A 20 9.381 -4.361 4.484 1.00 0.00 H new ATOM 0 HA SER A 20 9.609 -1.900 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.160 -2.000 1.344 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.995 -3.743 1.272 1.00 0.00 H new ATOM 0 HG SER A 20 8.461 -2.138 0.043 1.00 0.00 H new ATOM 276 N THR A 21 7.004 -1.860 3.379 1.00 0.00 N ATOM 277 CA THR A 21 5.579 -1.771 3.730 1.00 0.00 C ATOM 278 C THR A 21 4.759 -1.448 2.496 1.00 0.00 C ATOM 279 O THR A 21 4.688 -0.287 2.093 1.00 0.00 O ATOM 280 CB THR A 21 5.303 -0.718 4.820 1.00 0.00 C ATOM 281 OG1 THR A 21 5.698 -1.255 6.065 1.00 0.00 O ATOM 282 CG2 THR A 21 3.825 -0.315 4.924 1.00 0.00 C ATOM 0 H THR A 21 7.382 -0.980 3.028 1.00 0.00 H new ATOM 0 HA THR A 21 5.289 -2.742 4.131 1.00 0.00 H new ATOM 0 HB THR A 21 5.865 0.176 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.257 -0.763 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.705 0.429 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.495 0.106 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.224 -1.193 5.160 1.00 0.00 H new ATOM 290 N TRP A 22 4.095 -2.461 1.940 1.00 0.00 N ATOM 291 CA TRP A 22 3.105 -2.269 0.897 1.00 0.00 C ATOM 292 C TRP A 22 1.707 -2.228 1.428 1.00 0.00 C ATOM 293 O TRP A 22 1.437 -2.530 2.579 1.00 0.00 O ATOM 294 CB TRP A 22 3.237 -3.316 -0.217 1.00 0.00 C ATOM 295 CG TRP A 22 4.482 -3.301 -1.045 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.580 -2.551 -0.836 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.773 -4.088 -2.233 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.508 -2.794 -1.822 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.062 -3.739 -2.724 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.064 -5.062 -2.953 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.586 -4.320 -3.891 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.647 -5.764 -4.010 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.895 -5.374 -4.504 1.00 0.00 C ATOM 0 H TRP A 22 4.233 -3.436 2.205 1.00 0.00 H new ATOM 0 HA TRP A 22 3.312 -1.290 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.150 -4.302 0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.387 -3.199 -0.889 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.713 -1.861 -0.016 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.416 -2.332 -1.880 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.040 -5.274 -2.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.512 -3.958 -4.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.134 -6.608 -4.446 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.325 -5.883 -5.354 1.00 0.00 H new ATOM 313 N LEU A 23 0.821 -1.790 0.552 1.00 0.00 N ATOM 314 CA LEU A 23 -0.588 -1.799 0.809 1.00 0.00 C ATOM 315 C LEU A 23 -1.359 -1.729 -0.505 1.00 0.00 C ATOM 316 O LEU A 23 -0.741 -1.484 -1.538 1.00 0.00 O ATOM 317 CB LEU A 23 -0.978 -0.694 1.797 1.00 0.00 C ATOM 318 CG LEU A 23 -0.103 0.452 2.324 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.897 1.758 2.114 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.074 0.362 3.850 1.00 0.00 C ATOM 0 H LEU A 23 1.073 -1.417 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.860 -2.738 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.846 -0.208 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.327 -1.218 2.687 1.00 0.00 H new ATOM 0 HG LEU A 23 0.860 0.411 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.311 2.603 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.106 1.890 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.836 1.706 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.698 1.187 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.901 0.419 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.551 -0.584 4.106 1.00 0.00 H new ATOM 331 N ILE A 24 -2.682 -1.937 -0.475 1.00 0.00 N ATOM 332 CA ILE A 24 -3.541 -1.684 -1.634 1.00 0.00 C ATOM 333 C ILE A 24 -4.593 -0.629 -1.294 1.00 0.00 C ATOM 334 O ILE A 24 -5.440 -0.867 -0.430 1.00 0.00 O ATOM 335 CB ILE A 24 -4.235 -2.956 -2.156 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.266 -4.084 -2.529 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.088 -2.617 -3.381 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.876 -5.488 -2.392 1.00 0.00 C ATOM 0 H ILE A 24 -3.181 -2.282 0.345 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.890 -1.321 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.849 -3.320 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.932 -3.940 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.382 -4.017 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.576 -3.521 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.844 -1.882 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.452 -2.207 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.134 -6.236 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.184 -5.652 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.743 -5.574 -3.047 1.00 0.00 H new ATOM 349 N LEU A 25 -4.575 0.504 -2.003 1.00 0.00 N ATOM 350 CA LEU A 25 -5.643 1.497 -1.933 1.00 0.00 C ATOM 351 C LEU A 25 -6.326 1.499 -3.313 1.00 0.00 C ATOM 352 O LEU A 25 -5.718 1.872 -4.315 1.00 0.00 O ATOM 353 CB LEU A 25 -5.160 2.885 -1.448 1.00 0.00 C ATOM 354 CG LEU A 25 -4.056 2.888 -0.381 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.694 4.329 -0.013 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.488 2.186 0.901 1.00 0.00 C ATOM 0 H LEU A 25 -3.819 0.755 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.372 1.232 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.801 3.443 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.019 3.427 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.206 2.357 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.910 4.325 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.339 4.853 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.575 4.837 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.673 2.215 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.360 2.691 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.741 1.149 0.680 1.00 0.00 H new ATOM 367 N HIS A 26 -7.564 1.005 -3.395 1.00 0.00 N ATOM 368 CA HIS A 26 -8.378 1.010 -4.612 1.00 0.00 C ATOM 369 C HIS A 26 -7.754 0.166 -5.748 1.00 0.00 C ATOM 370 O HIS A 26 -7.578 0.651 -6.864 1.00 0.00 O ATOM 371 CB HIS A 26 -8.646 2.468 -5.041 1.00 0.00 C ATOM 372 CG HIS A 26 -8.913 3.426 -3.901 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.113 3.606 -3.249 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.986 4.226 -3.282 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.908 4.493 -2.259 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.627 4.899 -2.240 1.00 0.00 N ATOM 0 H HIS A 26 -8.039 0.581 -2.598 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.332 0.530 -4.392 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.787 2.829 -5.607 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.501 2.482 -5.716 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.945 4.319 -3.553 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.669 4.833 -1.573 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.207 5.566 -1.593 1.00 0.00 H new ATOM 383 N TYR A 27 -7.358 -1.084 -5.458 1.00 0.00 N ATOM 384 CA TYR A 27 -6.596 -1.981 -6.341 1.00 0.00 C ATOM 385 C TYR A 27 -5.137 -1.578 -6.556 1.00 0.00 C ATOM 386 O TYR A 27 -4.329 -2.421 -6.947 1.00 0.00 O ATOM 387 CB TYR A 27 -7.220 -2.175 -7.728 1.00 0.00 C ATOM 388 CG TYR A 27 -8.713 -2.432 -7.753 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.225 -3.589 -7.136 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.564 -1.613 -8.516 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.560 -3.972 -7.353 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.911 -1.975 -8.694 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.403 -3.159 -8.124 1.00 0.00 C ATOM 394 OH TYR A 27 -12.691 -3.533 -8.346 1.00 0.00 O ATOM 0 H TYR A 27 -7.571 -1.517 -4.559 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.633 -2.917 -5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.014 -1.287 -8.325 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.719 -3.011 -8.217 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.591 -4.183 -6.495 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.184 -0.707 -8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.936 -4.891 -6.927 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.568 -1.341 -9.270 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.137 -2.857 -8.898 1.00 0.00 H new ATOM 403 N LYS A 28 -4.792 -0.304 -6.352 1.00 0.00 N ATOM 404 CA LYS A 28 -3.461 0.183 -6.644 1.00 0.00 C ATOM 405 C LYS A 28 -2.533 -0.161 -5.483 1.00 0.00 C ATOM 406 O LYS A 28 -2.938 0.002 -4.337 1.00 0.00 O ATOM 407 CB LYS A 28 -3.509 1.666 -6.996 1.00 0.00 C ATOM 408 CG LYS A 28 -4.445 1.867 -8.197 1.00 0.00 C ATOM 409 CD LYS A 28 -4.105 3.176 -8.910 1.00 0.00 C ATOM 410 CE LYS A 28 -5.037 3.421 -10.106 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.763 2.502 -11.233 1.00 0.00 N ATOM 0 H LYS A 28 -5.427 0.404 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.049 -0.310 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.863 2.244 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.509 2.029 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.348 1.030 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.482 1.884 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.185 4.006 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.071 3.147 -9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.072 3.301 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.925 4.451 -10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.460 2.661 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.807 2.680 -11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.829 1.518 -10.903 1.00 0.00 H new ATOM 421 N VAL A 29 -1.332 -0.679 -5.769 1.00 0.00 N ATOM 422 CA VAL A 29 -0.372 -1.095 -4.746 1.00 0.00 C ATOM 423 C VAL A 29 0.573 0.054 -4.423 1.00 0.00 C ATOM 424 O VAL A 29 1.001 0.796 -5.310 1.00 0.00 O ATOM 425 CB VAL A 29 0.443 -2.338 -5.138 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.499 -2.690 -4.076 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.453 -3.562 -5.141 1.00 0.00 C ATOM 0 H VAL A 29 -1.000 -0.821 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.958 -1.368 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 29 0.888 -2.105 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.052 -3.574 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.188 -1.854 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.006 -2.892 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.131 -4.439 -5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.874 -3.707 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.260 -3.420 -5.859 1.00 0.00 H new ATOM 437 N TYR A 30 0.907 0.147 -3.141 1.00 0.00 N ATOM 438 CA TYR A 30 1.651 1.168 -2.461 1.00 0.00 C ATOM 439 C TYR A 30 2.938 0.577 -1.872 1.00 0.00 C ATOM 440 O TYR A 30 2.942 -0.612 -1.577 1.00 0.00 O ATOM 441 CB TYR A 30 0.626 1.631 -1.418 1.00 0.00 C ATOM 442 CG TYR A 30 -0.391 2.582 -1.999 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.522 2.076 -2.651 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.109 3.951 -2.064 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.392 2.944 -3.331 1.00 0.00 C ATOM 446 CE2 TYR A 30 -0.998 4.822 -2.702 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.152 4.325 -3.327 1.00 0.00 C ATOM 448 OH TYR A 30 -3.018 5.164 -3.964 1.00 0.00 O ATOM 0 H TYR A 30 0.623 -0.584 -2.489 1.00 0.00 H new ATOM 0 HA TYR A 30 2.012 1.994 -3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.114 0.762 -1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.145 2.118 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.726 1.016 -2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.797 4.336 -1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.247 2.547 -3.858 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.795 5.883 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.557 5.999 -4.191 1.00 0.00 H new ATOM 457 N ASP A 31 4.014 1.369 -1.752 1.00 0.00 N ATOM 458 CA ASP A 31 5.206 1.055 -0.940 1.00 0.00 C ATOM 459 C ASP A 31 5.611 2.314 -0.162 1.00 0.00 C ATOM 460 O ASP A 31 6.019 3.311 -0.759 1.00 0.00 O ATOM 461 CB ASP A 31 6.423 0.548 -1.733 1.00 0.00 C ATOM 462 CG ASP A 31 7.572 0.097 -0.807 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.777 0.711 0.267 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.224 -0.914 -1.151 1.00 0.00 O ATOM 0 H ASP A 31 4.084 2.269 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 31 4.917 0.232 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.120 -0.285 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.779 1.338 -2.394 1.00 0.00 H new ATOM 468 N LEU A 32 5.491 2.271 1.167 1.00 0.00 N ATOM 469 CA LEU A 32 5.559 3.459 2.013 1.00 0.00 C ATOM 470 C LEU A 32 6.595 3.361 3.130 1.00 0.00 C ATOM 471 O LEU A 32 6.539 4.133 4.086 1.00 0.00 O ATOM 472 CB LEU A 32 4.157 3.681 2.588 1.00 0.00 C ATOM 473 CG LEU A 32 3.084 3.375 1.540 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.716 3.595 2.112 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.122 4.300 0.340 1.00 0.00 C ATOM 0 H LEU A 32 5.343 1.406 1.686 1.00 0.00 H new ATOM 0 HA LEU A 32 5.885 4.303 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.012 3.044 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.057 4.712 2.927 1.00 0.00 H new ATOM 0 HG LEU A 32 3.285 2.345 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.965 3.373 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.571 2.939 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.617 4.633 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.333 4.022 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.970 5.328 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.090 4.216 -0.154 1.00 0.00 H new ATOM 486 N THR A 33 7.549 2.440 2.994 1.00 0.00 N ATOM 487 CA THR A 33 8.549 2.055 3.996 1.00 0.00 C ATOM 488 C THR A 33 9.251 3.212 4.723 1.00 0.00 C ATOM 489 O THR A 33 9.646 3.055 5.873 1.00 0.00 O ATOM 490 CB THR A 33 9.559 1.135 3.293 1.00 0.00 C ATOM 491 OG1 THR A 33 8.856 0.119 2.598 1.00 0.00 O ATOM 492 CG2 THR A 33 10.518 0.469 4.285 1.00 0.00 C ATOM 0 H THR A 33 7.652 1.909 2.129 1.00 0.00 H new ATOM 0 HA THR A 33 8.024 1.549 4.806 1.00 0.00 H new ATOM 0 HB THR A 33 10.145 1.749 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.844 0.326 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.214 -0.172 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.075 1.236 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.948 -0.131 4.994 1.00 0.00 H new ATOM 500 N LYS A 34 9.398 4.375 4.086 1.00 0.00 N ATOM 501 CA LYS A 34 9.919 5.582 4.731 1.00 0.00 C ATOM 502 C LYS A 34 8.827 6.461 5.329 1.00 0.00 C ATOM 503 O LYS A 34 9.019 7.092 6.365 1.00 0.00 O ATOM 504 CB LYS A 34 10.665 6.421 3.689 1.00 0.00 C ATOM 505 CG LYS A 34 11.851 5.657 3.103 1.00 0.00 C ATOM 506 CD LYS A 34 12.660 6.517 2.119 1.00 0.00 C ATOM 507 CE LYS A 34 13.453 7.618 2.839 1.00 0.00 C ATOM 508 NZ LYS A 34 14.252 8.424 1.892 1.00 0.00 N ATOM 0 H LYS A 34 9.158 4.507 3.103 1.00 0.00 H new ATOM 0 HA LYS A 34 10.569 5.249 5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.981 6.703 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.016 7.345 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.501 5.322 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.491 4.764 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.347 5.881 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.985 6.971 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.765 8.268 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.113 7.166 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.774 9.157 2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.926 7.808 1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.620 8.875 1.201 1.00 0.00 H new ATOM 518 N PHE A 35 7.677 6.527 4.662 1.00 0.00 N ATOM 519 CA PHE A 35 6.579 7.384 5.102 1.00 0.00 C ATOM 520 C PHE A 35 6.088 6.967 6.486 1.00 0.00 C ATOM 521 O PHE A 35 5.616 7.787 7.263 1.00 0.00 O ATOM 522 CB PHE A 35 5.470 7.373 4.054 1.00 0.00 C ATOM 523 CG PHE A 35 4.305 8.282 4.371 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.534 9.652 4.588 1.00 0.00 C ATOM 525 CD2 PHE A 35 2.988 7.791 4.323 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.455 10.546 4.663 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.907 8.682 4.432 1.00 0.00 C ATOM 528 CZ PHE A 35 2.142 10.065 4.552 1.00 0.00 C ATOM 0 H PHE A 35 7.481 5.996 3.813 1.00 0.00 H new ATOM 0 HA PHE A 35 6.931 8.411 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.892 7.665 3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.101 6.353 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.544 10.018 4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.808 6.733 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.635 11.601 4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.895 8.306 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.312 10.755 4.559 1.00 0.00 H new ATOM 537 N LEU A 36 6.274 5.684 6.789 1.00 0.00 N ATOM 538 CA LEU A 36 6.222 5.085 8.115 1.00 0.00 C ATOM 539 C LEU A 36 6.697 6.073 9.205 1.00 0.00 C ATOM 540 O LEU A 36 6.025 6.258 10.217 1.00 0.00 O ATOM 541 CB LEU A 36 7.140 3.847 8.033 1.00 0.00 C ATOM 542 CG LEU A 36 6.633 2.708 7.140 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.308 1.399 7.578 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.119 2.500 7.178 1.00 0.00 C ATOM 0 H LEU A 36 6.478 4.993 6.067 1.00 0.00 H new ATOM 0 HA LEU A 36 5.204 4.815 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.117 4.164 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.287 3.458 9.040 1.00 0.00 H new ATOM 0 HG LEU A 36 6.886 2.989 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.956 0.580 6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.389 1.495 7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.059 1.192 8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.848 1.676 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.809 2.266 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.618 3.410 6.846 1.00 0.00 H new ATOM 555 N GLU A 37 7.834 6.735 8.959 1.00 0.00 N ATOM 556 CA GLU A 37 8.452 7.735 9.829 1.00 0.00 C ATOM 557 C GLU A 37 7.607 9.022 9.934 1.00 0.00 C ATOM 558 O GLU A 37 7.210 9.456 11.012 1.00 0.00 O ATOM 559 CB GLU A 37 9.850 8.030 9.242 1.00 0.00 C ATOM 560 CG GLU A 37 10.943 8.167 10.315 1.00 0.00 C ATOM 561 CD GLU A 37 10.859 9.459 11.121 1.00 0.00 C ATOM 562 OE1 GLU A 37 10.666 10.513 10.478 1.00 0.00 O ATOM 563 OE2 GLU A 37 11.035 9.368 12.354 1.00 0.00 O ATOM 0 H GLU A 37 8.371 6.578 8.106 1.00 0.00 H new ATOM 0 HA GLU A 37 8.525 7.352 10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.124 7.230 8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.805 8.950 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.877 7.320 10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.920 8.113 9.834 1.00 0.00 H new ATOM 568 N GLU A 38 7.345 9.626 8.772 1.00 0.00 N ATOM 569 CA GLU A 38 6.759 10.951 8.589 1.00 0.00 C ATOM 570 C GLU A 38 5.259 11.017 8.931 1.00 0.00 C ATOM 571 O GLU A 38 4.786 11.974 9.543 1.00 0.00 O ATOM 572 CB GLU A 38 7.042 11.329 7.128 1.00 0.00 C ATOM 573 CG GLU A 38 6.384 12.639 6.671 1.00 0.00 C ATOM 574 CD GLU A 38 6.783 12.999 5.245 1.00 0.00 C ATOM 575 OE1 GLU A 38 6.123 12.471 4.325 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.750 13.777 5.102 1.00 0.00 O ATOM 0 H GLU A 38 7.550 9.173 7.881 1.00 0.00 H new ATOM 0 HA GLU A 38 7.206 11.662 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.120 11.411 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.698 10.520 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.300 12.543 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.672 13.446 7.345 1.00 0.00 H new ATOM 581 N HIS A 39 4.488 10.021 8.493 1.00 0.00 N ATOM 582 CA HIS A 39 3.031 10.019 8.559 1.00 0.00 C ATOM 583 C HIS A 39 2.485 10.116 9.997 1.00 0.00 C ATOM 584 O HIS A 39 2.898 9.342 10.860 1.00 0.00 O ATOM 585 CB HIS A 39 2.561 8.724 7.901 1.00 0.00 C ATOM 586 CG HIS A 39 1.071 8.504 7.891 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.456 7.439 8.491 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.129 9.163 7.142 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.831 7.461 8.113 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.091 8.490 7.282 1.00 0.00 N ATOM 0 H HIS A 39 4.871 9.174 8.073 1.00 0.00 H new ATOM 0 HA HIS A 39 2.652 10.902 8.045 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.920 8.709 6.872 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.031 7.885 8.414 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.894 6.756 9.110 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.299 10.048 6.547 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.569 6.742 8.435 1.00 0.00 H new ATOM 597 N PRO A 40 1.496 10.991 10.268 1.00 0.00 N ATOM 598 CA PRO A 40 0.908 11.159 11.597 1.00 0.00 C ATOM 599 C PRO A 40 0.268 9.880 12.160 1.00 0.00 C ATOM 600 O PRO A 40 0.168 9.727 13.372 1.00 0.00 O ATOM 601 CB PRO A 40 -0.095 12.311 11.467 1.00 0.00 C ATOM 602 CG PRO A 40 -0.448 12.304 9.981 1.00 0.00 C ATOM 603 CD PRO A 40 0.869 11.907 9.329 1.00 0.00 C ATOM 0 HA PRO A 40 1.686 11.386 12.326 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.975 12.151 12.090 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.343 13.262 11.772 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.242 11.592 9.756 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.790 13.281 9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.703 11.429 8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.498 12.779 9.149 1.00 0.00 H new ATOM 608 N GLY A 41 -0.133 8.939 11.298 1.00 0.00 N ATOM 609 CA GLY A 41 -0.544 7.599 11.723 1.00 0.00 C ATOM 610 C GLY A 41 0.545 6.843 12.511 1.00 0.00 C ATOM 611 O GLY A 41 0.232 5.931 13.273 1.00 0.00 O ATOM 0 H GLY A 41 -0.181 9.085 10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.438 7.681 12.341 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.817 7.015 10.844 1.00 0.00 H new ATOM 615 N GLY A 42 1.826 7.178 12.296 1.00 0.00 N ATOM 616 CA GLY A 42 2.970 6.419 12.788 1.00 0.00 C ATOM 617 C GLY A 42 3.255 5.257 11.835 1.00 0.00 C ATOM 618 O GLY A 42 2.499 5.042 10.882 1.00 0.00 O ATOM 0 H GLY A 42 2.094 8.005 11.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.844 7.065 12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.766 6.041 13.790 1.00 0.00 H new ATOM 622 N GLU A 43 4.301 4.462 12.089 1.00 0.00 N ATOM 623 CA GLU A 43 4.520 3.313 11.232 1.00 0.00 C ATOM 624 C GLU A 43 3.450 2.262 11.511 1.00 0.00 C ATOM 625 O GLU A 43 2.910 1.637 10.600 1.00 0.00 O ATOM 626 CB GLU A 43 5.865 2.610 11.468 1.00 0.00 C ATOM 627 CG GLU A 43 7.150 3.389 11.771 1.00 0.00 C ATOM 628 CD GLU A 43 8.374 2.476 11.658 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.169 1.239 11.589 1.00 0.00 O ATOM 630 OE2 GLU A 43 9.492 3.026 11.628 1.00 0.00 O ATOM 0 H GLU A 43 4.974 4.590 12.845 1.00 0.00 H new ATOM 0 HA GLU A 43 4.494 3.702 10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.716 1.917 12.296 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.065 2.009 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.247 4.224 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.097 3.812 12.774 1.00 0.00 H new ATOM 635 N GLU A 44 3.173 2.064 12.804 1.00 0.00 N ATOM 636 CA GLU A 44 2.417 0.943 13.315 1.00 0.00 C ATOM 637 C GLU A 44 1.110 0.803 12.574 1.00 0.00 C ATOM 638 O GLU A 44 0.737 -0.279 12.154 1.00 0.00 O ATOM 639 CB GLU A 44 2.113 1.076 14.809 1.00 0.00 C ATOM 640 CG GLU A 44 3.326 1.394 15.700 1.00 0.00 C ATOM 641 CD GLU A 44 4.479 0.436 15.483 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.273 -0.782 15.670 1.00 0.00 O ATOM 643 OE2 GLU A 44 5.543 0.899 15.026 1.00 0.00 O ATOM 0 H GLU A 44 3.483 2.704 13.535 1.00 0.00 H new ATOM 0 HA GLU A 44 3.038 0.060 13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.369 1.861 14.943 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.662 0.146 15.156 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.662 2.411 15.500 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.022 1.359 16.746 1.00 0.00 H new ATOM 648 N HIS A 45 0.439 1.932 12.403 1.00 0.00 N ATOM 649 CA HIS A 45 -0.890 2.002 11.851 1.00 0.00 C ATOM 650 C HIS A 45 -0.922 1.812 10.331 1.00 0.00 C ATOM 651 O HIS A 45 -1.948 1.438 9.768 1.00 0.00 O ATOM 652 CB HIS A 45 -1.435 3.349 12.309 1.00 0.00 C ATOM 653 CG HIS A 45 -2.915 3.539 12.113 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.832 2.599 11.696 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.603 4.683 12.395 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.037 3.188 11.676 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.949 4.462 12.093 1.00 0.00 N ATOM 0 H HIS A 45 0.821 2.844 12.653 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.516 1.183 12.206 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.205 3.476 13.367 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.909 4.138 11.772 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.631 1.630 11.447 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.181 5.598 12.783 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.952 2.705 11.367 1.00 0.00 H new ATOM 664 N LEU A 46 0.218 2.010 9.663 1.00 0.00 N ATOM 665 CA LEU A 46 0.362 1.636 8.263 1.00 0.00 C ATOM 666 C LEU A 46 0.746 0.160 8.189 1.00 0.00 C ATOM 667 O LEU A 46 0.262 -0.576 7.335 1.00 0.00 O ATOM 668 CB LEU A 46 1.418 2.524 7.584 1.00 0.00 C ATOM 669 CG LEU A 46 0.997 3.997 7.448 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.188 4.828 6.958 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.151 4.162 6.447 1.00 0.00 C ATOM 0 H LEU A 46 1.053 2.428 10.074 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.580 1.784 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.345 2.472 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.632 2.124 6.593 1.00 0.00 H new ATOM 0 HG LEU A 46 0.663 4.338 8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.889 5.872 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.006 4.750 7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.518 4.455 5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.423 5.215 6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.165 3.802 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.013 3.587 6.784 1.00 0.00 H new ATOM 682 N ARG A 47 1.596 -0.285 9.115 1.00 0.00 N ATOM 683 CA ARG A 47 2.176 -1.621 9.108 1.00 0.00 C ATOM 684 C ARG A 47 1.107 -2.668 9.435 1.00 0.00 C ATOM 685 O ARG A 47 1.020 -3.717 8.807 1.00 0.00 O ATOM 686 CB ARG A 47 3.346 -1.637 10.089 1.00 0.00 C ATOM 687 CG ARG A 47 4.325 -2.758 9.710 1.00 0.00 C ATOM 688 CD ARG A 47 5.375 -3.083 10.778 1.00 0.00 C ATOM 689 NE ARG A 47 6.030 -1.876 11.334 1.00 0.00 N ATOM 690 CZ ARG A 47 5.884 -1.394 12.575 1.00 0.00 C ATOM 691 NH1 ARG A 47 5.001 -1.927 13.407 1.00 0.00 N ATOM 692 NH2 ARG A 47 6.616 -0.376 12.992 1.00 0.00 N ATOM 0 H ARG A 47 1.904 0.285 9.903 1.00 0.00 H new ATOM 0 HA ARG A 47 2.555 -1.878 8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.857 -0.675 10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.980 -1.789 11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.755 -3.662 9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.838 -2.478 8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.901 -3.638 11.588 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.134 -3.735 10.346 1.00 0.00 H new ATOM 0 HE ARG A 47 6.653 -1.362 10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.424 -2.712 13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.898 -1.552 14.350 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.300 0.050 12.367 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.497 -0.016 13.939 1.00 0.00 H new ATOM 703 N GLU A 48 0.272 -2.319 10.409 1.00 0.00 N ATOM 704 CA GLU A 48 -0.991 -2.959 10.772 1.00 0.00 C ATOM 705 C GLU A 48 -1.779 -3.402 9.531 1.00 0.00 C ATOM 706 O GLU A 48 -2.159 -4.563 9.398 1.00 0.00 O ATOM 707 CB GLU A 48 -1.781 -1.903 11.563 1.00 0.00 C ATOM 708 CG GLU A 48 -3.259 -2.231 11.854 1.00 0.00 C ATOM 709 CD GLU A 48 -4.136 -0.994 11.695 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.785 0.038 12.303 1.00 0.00 O ATOM 711 OE2 GLU A 48 -5.114 -1.081 10.924 1.00 0.00 O ATOM 0 H GLU A 48 0.475 -1.521 11.011 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.815 -3.861 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.274 -1.738 12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.741 -0.963 11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.602 -3.013 11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.356 -2.622 12.867 1.00 0.00 H new ATOM 716 N GLN A 49 -2.024 -2.451 8.627 1.00 0.00 N ATOM 717 CA GLN A 49 -2.740 -2.692 7.380 1.00 0.00 C ATOM 718 C GLN A 49 -1.858 -3.395 6.342 1.00 0.00 C ATOM 719 O GLN A 49 -2.341 -4.174 5.525 1.00 0.00 O ATOM 720 CB GLN A 49 -3.151 -1.348 6.772 1.00 0.00 C ATOM 721 CG GLN A 49 -4.324 -0.615 7.421 1.00 0.00 C ATOM 722 CD GLN A 49 -5.602 -1.445 7.435 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.250 -1.625 6.418 1.00 0.00 O ATOM 724 NE2 GLN A 49 -6.021 -1.947 8.585 1.00 0.00 N ATOM 0 H GLN A 49 -1.726 -1.483 8.745 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.599 -3.321 7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.285 -0.687 6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.395 -1.513 5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.059 -0.347 8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.506 0.316 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.478 -1.796 9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.887 -2.485 8.621 1.00 0.00 H new ATOM 731 N ALA A 50 -0.576 -3.028 6.328 1.00 0.00 N ATOM 732 CA ALA A 50 0.363 -3.362 5.271 1.00 0.00 C ATOM 733 C ALA A 50 0.388 -4.826 4.827 1.00 0.00 C ATOM 734 O ALA A 50 0.151 -5.762 5.590 1.00 0.00 O ATOM 735 CB ALA A 50 1.778 -2.957 5.686 1.00 0.00 C ATOM 0 H ALA A 50 -0.156 -2.475 7.075 1.00 0.00 H new ATOM 0 HA ALA A 50 0.004 -2.800 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.477 -3.210 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.810 -1.883 5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.057 -3.489 6.596 1.00 0.00 H new ATOM 741 N GLY A 51 0.743 -5.003 3.558 1.00 0.00 N ATOM 742 CA GLY A 51 0.783 -6.305 2.890 1.00 0.00 C ATOM 743 C GLY A 51 -0.416 -6.515 1.965 1.00 0.00 C ATOM 744 O GLY A 51 -0.559 -7.576 1.353 1.00 0.00 O ATOM 0 H GLY A 51 1.017 -4.231 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.704 -6.388 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.805 -7.096 3.640 1.00 0.00 H new ATOM 748 N GLY A 52 -1.259 -5.483 1.851 1.00 0.00 N ATOM 749 CA GLY A 52 -2.338 -5.354 0.891 1.00 0.00 C ATOM 750 C GLY A 52 -3.455 -4.474 1.444 1.00 0.00 C ATOM 751 O GLY A 52 -3.215 -3.704 2.369 1.00 0.00 O ATOM 0 H GLY A 52 -1.195 -4.673 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.957 -4.925 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.733 -6.340 0.647 1.00 0.00 H new ATOM 755 N ASP A 53 -4.621 -4.534 0.795 1.00 0.00 N ATOM 756 CA ASP A 53 -5.894 -3.914 1.124 1.00 0.00 C ATOM 757 C ASP A 53 -5.899 -3.132 2.430 1.00 0.00 C ATOM 758 O ASP A 53 -6.022 -3.659 3.533 1.00 0.00 O ATOM 759 CB ASP A 53 -7.099 -4.842 0.978 1.00 0.00 C ATOM 760 CG ASP A 53 -8.394 -4.020 0.962 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.308 -2.778 1.143 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.447 -4.645 0.729 1.00 0.00 O ATOM 0 H ASP A 53 -4.697 -5.078 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.015 -3.160 0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.014 -5.420 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.121 -5.555 1.802 1.00 0.00 H new ATOM 766 N ALA A 54 -5.773 -1.833 2.219 1.00 0.00 N ATOM 767 CA ALA A 54 -5.883 -0.813 3.226 1.00 0.00 C ATOM 768 C ALA A 54 -6.837 0.263 2.727 1.00 0.00 C ATOM 769 O ALA A 54 -6.856 1.385 3.225 1.00 0.00 O ATOM 770 CB ALA A 54 -4.459 -0.349 3.483 1.00 0.00 C ATOM 0 H ALA A 54 -5.582 -1.451 1.293 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.309 -1.146 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.462 0.432 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.859 -1.190 3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.032 0.045 2.560 1.00 0.00 H new ATOM 776 N THR A 55 -7.660 -0.115 1.743 1.00 0.00 N ATOM 777 CA THR A 55 -8.579 0.762 1.052 1.00 0.00 C ATOM 778 C THR A 55 -9.658 1.206 2.029 1.00 0.00 C ATOM 779 O THR A 55 -9.900 2.400 2.202 1.00 0.00 O ATOM 780 CB THR A 55 -9.150 -0.021 -0.139 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.130 -0.357 -1.053 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.212 0.772 -0.901 1.00 0.00 C ATOM 0 H THR A 55 -7.697 -1.076 1.403 1.00 0.00 H new ATOM 0 HA THR A 55 -8.093 1.662 0.676 1.00 0.00 H new ATOM 0 HB THR A 55 -9.605 -0.918 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.310 -0.573 -0.563 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.584 0.175 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.037 1.014 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.773 1.694 -1.283 1.00 0.00 H new ATOM 790 N GLU A 56 -10.260 0.236 2.716 1.00 0.00 N ATOM 791 CA GLU A 56 -11.266 0.513 3.724 1.00 0.00 C ATOM 792 C GLU A 56 -10.716 1.386 4.855 1.00 0.00 C ATOM 793 O GLU A 56 -11.287 2.436 5.130 1.00 0.00 O ATOM 794 CB GLU A 56 -11.874 -0.810 4.202 1.00 0.00 C ATOM 795 CG GLU A 56 -13.075 -0.578 5.133 1.00 0.00 C ATOM 796 CD GLU A 56 -13.782 -1.881 5.483 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.280 -2.570 6.396 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.801 -2.167 4.818 1.00 0.00 O ATOM 0 H GLU A 56 -10.061 -0.756 2.586 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.070 1.106 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.189 -1.398 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.115 -1.392 4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.737 -0.091 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.781 0.100 4.653 1.00 0.00 H new ATOM 803 N ASN A 57 -9.579 1.028 5.469 1.00 0.00 N ATOM 804 CA ASN A 57 -9.063 1.846 6.571 1.00 0.00 C ATOM 805 C ASN A 57 -8.726 3.263 6.063 1.00 0.00 C ATOM 806 O ASN A 57 -9.109 4.265 6.666 1.00 0.00 O ATOM 807 CB ASN A 57 -7.870 1.167 7.274 1.00 0.00 C ATOM 808 CG ASN A 57 -7.735 1.635 8.725 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.019 2.777 9.055 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.267 0.775 9.618 1.00 0.00 N ATOM 0 H ASN A 57 -9.019 0.209 5.232 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.840 1.943 7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.000 0.085 7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.951 1.390 6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.142 1.065 10.588 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.032 -0.176 9.335 1.00 0.00 H new ATOM 816 N PHE A 58 -8.058 3.343 4.902 1.00 0.00 N ATOM 817 CA PHE A 58 -7.673 4.612 4.280 1.00 0.00 C ATOM 818 C PHE A 58 -8.831 5.601 4.090 1.00 0.00 C ATOM 819 O PHE A 58 -8.598 6.800 4.219 1.00 0.00 O ATOM 820 CB PHE A 58 -6.992 4.331 2.939 1.00 0.00 C ATOM 821 CG PHE A 58 -6.608 5.556 2.129 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.564 6.390 2.570 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.224 5.808 0.889 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.107 7.441 1.755 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.735 6.826 0.051 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.677 7.645 0.485 1.00 0.00 C ATOM 0 H PHE A 58 -7.770 2.523 4.368 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.986 5.099 4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.093 3.744 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.658 3.713 2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.113 6.223 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.074 5.218 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.319 8.091 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.171 6.979 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.303 8.430 -0.156 1.00 0.00 H new ATOM 835 N GLU A 59 -10.037 5.102 3.786 1.00 0.00 N ATOM 836 CA GLU A 59 -11.257 5.792 3.389 1.00 0.00 C ATOM 837 C GLU A 59 -12.215 6.004 4.576 1.00 0.00 C ATOM 838 O GLU A 59 -12.805 7.074 4.706 1.00 0.00 O ATOM 839 CB GLU A 59 -11.915 4.979 2.261 1.00 0.00 C ATOM 840 CG GLU A 59 -12.798 5.858 1.359 1.00 0.00 C ATOM 841 CD GLU A 59 -12.002 6.888 0.567 1.00 0.00 C ATOM 842 OE1 GLU A 59 -10.833 6.599 0.218 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.540 7.993 0.321 1.00 0.00 O ATOM 0 H GLU A 59 -10.190 4.094 3.818 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.011 6.792 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.142 4.503 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.519 4.181 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.348 5.221 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.537 6.372 1.974 1.00 0.00 H new ATOM 848 N ASP A 60 -12.347 5.004 5.458 1.00 0.00 N ATOM 849 CA ASP A 60 -13.037 5.125 6.741 1.00 0.00 C ATOM 850 C ASP A 60 -12.411 6.272 7.550 1.00 0.00 C ATOM 851 O ASP A 60 -13.105 7.193 7.977 1.00 0.00 O ATOM 852 CB ASP A 60 -12.970 3.777 7.467 1.00 0.00 C ATOM 853 CG ASP A 60 -13.685 3.837 8.806 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.926 3.692 8.793 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.976 4.039 9.813 1.00 0.00 O ATOM 0 H ASP A 60 -11.968 4.072 5.292 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.090 5.371 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.421 3.004 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.928 3.495 7.621 1.00 0.00 H new ATOM 859 N VAL A 61 -11.078 6.250 7.692 1.00 0.00 N ATOM 860 CA VAL A 61 -10.350 7.418 8.179 1.00 0.00 C ATOM 861 C VAL A 61 -10.526 8.532 7.137 1.00 0.00 C ATOM 862 O VAL A 61 -11.000 9.624 7.444 1.00 0.00 O ATOM 863 CB VAL A 61 -8.866 7.067 8.388 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.044 8.311 8.743 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.708 6.033 9.511 1.00 0.00 C ATOM 0 H VAL A 61 -10.492 5.443 7.478 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.736 7.751 9.143 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.498 6.652 7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.000 8.029 8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.117 9.038 7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.429 8.751 9.663 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.652 5.798 9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.108 6.440 10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.252 5.125 9.249 1.00 0.00 H new ATOM 875 N GLY A 62 -10.167 8.216 5.889 1.00 0.00 N ATOM 876 CA GLY A 62 -10.349 9.069 4.725 1.00 0.00 C ATOM 877 C GLY A 62 -9.345 10.230 4.707 1.00 0.00 C ATOM 878 O GLY A 62 -8.812 10.630 5.739 1.00 0.00 O ATOM 0 H GLY A 62 -9.726 7.325 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.235 8.475 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.364 9.466 4.720 1.00 0.00 H new ATOM 882 N HIS A 63 -9.006 10.707 3.504 1.00 0.00 N ATOM 883 CA HIS A 63 -7.840 11.567 3.302 1.00 0.00 C ATOM 884 CB HIS A 63 -6.711 10.638 2.844 1.00 0.00 C ATOM 885 CG HIS A 63 -6.075 9.854 3.962 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.573 8.737 4.600 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.837 10.102 4.473 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.640 8.331 5.480 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.547 9.116 5.418 1.00 0.00 N ATOM 0 H HIS A 63 -9.529 10.509 2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.104 9.942 2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.944 11.232 2.347 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.480 8.300 4.435 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.190 10.921 4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.752 7.489 6.147 1.00 0.00 H new ATOM 896 N SER A 64 -7.293 13.801 2.455 1.00 0.00 N ATOM 897 CA SER A 64 -7.381 14.982 1.597 1.00 0.00 C ATOM 898 C SER A 64 -6.845 14.751 0.174 1.00 0.00 C ATOM 899 O SER A 64 -6.115 13.796 -0.101 1.00 0.00 O ATOM 900 CB SER A 64 -6.646 16.151 2.266 1.00 0.00 C ATOM 901 OG SER A 64 -7.344 16.543 3.429 1.00 0.00 O ATOM 0 HA SER A 64 -8.439 15.216 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.628 15.856 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.570 16.990 1.574 1.00 0.00 H new ATOM 0 HG SER A 64 -6.710 16.665 4.166 1.00 0.00 H new ATOM 906 N THR A 65 -7.180 15.665 -0.742 1.00 0.00 N ATOM 907 CA THR A 65 -6.645 15.691 -2.106 1.00 0.00 C ATOM 908 C THR A 65 -5.123 15.586 -2.106 1.00 0.00 C ATOM 909 O THR A 65 -4.580 14.674 -2.718 1.00 0.00 O ATOM 910 CB THR A 65 -7.063 16.984 -2.813 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.772 18.076 -1.964 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.560 16.999 -3.125 1.00 0.00 C ATOM 0 H THR A 65 -7.841 16.419 -0.553 1.00 0.00 H new ATOM 0 HA THR A 65 -7.053 14.832 -2.638 1.00 0.00 H new ATOM 0 HB THR A 65 -6.515 17.052 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.033 18.912 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.818 17.932 -3.626 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.805 16.159 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.126 16.917 -2.197 1.00 0.00 H new ATOM 920 N ASP A 66 -4.459 16.488 -1.379 1.00 0.00 N ATOM 921 CA ASP A 66 -3.036 16.445 -1.052 1.00 0.00 C ATOM 922 C ASP A 66 -2.511 15.003 -0.912 1.00 0.00 C ATOM 923 O ASP A 66 -1.591 14.581 -1.610 1.00 0.00 O ATOM 924 CB ASP A 66 -2.863 17.239 0.249 1.00 0.00 C ATOM 925 CG ASP A 66 -1.458 17.102 0.810 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.265 16.153 1.600 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.613 17.935 0.423 1.00 0.00 O ATOM 0 H ASP A 66 -4.923 17.306 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.449 16.883 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.080 18.291 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.585 16.889 0.987 1.00 0.00 H new ATOM 931 N ALA A 67 -3.160 14.222 -0.049 1.00 0.00 N ATOM 932 CA ALA A 67 -2.780 12.850 0.244 1.00 0.00 C ATOM 933 C ALA A 67 -3.069 11.909 -0.936 1.00 0.00 C ATOM 934 O ALA A 67 -2.251 11.054 -1.271 1.00 0.00 O ATOM 935 CB ALA A 67 -3.494 12.408 1.521 1.00 0.00 C ATOM 0 H ALA A 67 -3.978 14.535 0.473 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.703 12.800 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.219 11.379 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.201 13.058 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.572 12.471 1.375 1.00 0.00 H new ATOM 941 N ARG A 68 -4.218 12.064 -1.599 1.00 0.00 N ATOM 942 CA ARG A 68 -4.531 11.295 -2.807 1.00 0.00 C ATOM 943 C ARG A 68 -3.500 11.552 -3.923 1.00 0.00 C ATOM 944 O ARG A 68 -3.081 10.620 -4.614 1.00 0.00 O ATOM 945 CB ARG A 68 -5.968 11.585 -3.272 1.00 0.00 C ATOM 946 CG ARG A 68 -7.015 10.673 -2.612 1.00 0.00 C ATOM 947 CD ARG A 68 -7.254 10.945 -1.121 1.00 0.00 C ATOM 948 NE ARG A 68 -8.200 9.946 -0.578 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.531 10.068 -0.497 1.00 0.00 C ATOM 950 NH1 ARG A 68 -10.128 11.247 -0.475 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.292 8.997 -0.419 1.00 0.00 N ATOM 0 H ARG A 68 -4.949 12.717 -1.319 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.469 10.234 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.211 12.625 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.023 11.467 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.960 10.784 -3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.701 9.636 -2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.310 10.900 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.653 11.950 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.798 9.076 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.572 12.101 -0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.145 11.303 -0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.868 8.069 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.305 9.095 -0.357 1.00 0.00 H new ATOM 962 N GLU A 69 -3.051 12.800 -4.060 1.00 0.00 N ATOM 963 CA GLU A 69 -2.001 13.205 -4.983 1.00 0.00 C ATOM 964 C GLU A 69 -0.661 12.586 -4.570 1.00 0.00 C ATOM 965 O GLU A 69 -0.017 11.902 -5.366 1.00 0.00 O ATOM 966 CB GLU A 69 -1.961 14.739 -5.044 1.00 0.00 C ATOM 967 CG GLU A 69 -3.170 15.325 -5.798 1.00 0.00 C ATOM 968 CD GLU A 69 -3.250 14.859 -7.242 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.204 14.848 -7.929 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.332 14.397 -7.670 1.00 0.00 O ATOM 0 H GLU A 69 -3.422 13.577 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.209 12.837 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.938 15.140 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.041 15.057 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.086 15.043 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.113 16.413 -5.776 1.00 0.00 H new ATOM 975 N LEU A 70 -0.278 12.743 -3.300 1.00 0.00 N ATOM 976 CA LEU A 70 0.874 12.061 -2.709 1.00 0.00 C ATOM 977 C LEU A 70 0.857 10.568 -3.063 1.00 0.00 C ATOM 978 O LEU A 70 1.866 9.994 -3.464 1.00 0.00 O ATOM 979 CB LEU A 70 0.846 12.222 -1.179 1.00 0.00 C ATOM 980 CG LEU A 70 2.189 12.147 -0.423 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.327 11.439 -1.151 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.635 13.551 -0.031 1.00 0.00 C ATOM 0 H LEU A 70 -0.766 13.355 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 70 1.783 12.509 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.387 13.184 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.190 11.452 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 70 1.982 11.526 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.220 11.447 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.040 10.409 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.536 11.955 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.584 13.496 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.758 14.157 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.882 14.005 0.613 1.00 0.00 H new ATOM 993 N SER A 71 -0.318 9.939 -2.961 1.00 0.00 N ATOM 994 CA SER A 71 -0.498 8.519 -3.175 1.00 0.00 C ATOM 995 C SER A 71 0.142 8.075 -4.504 1.00 0.00 C ATOM 996 O SER A 71 0.804 7.044 -4.566 1.00 0.00 O ATOM 997 CB SER A 71 -1.991 8.163 -3.025 1.00 0.00 C ATOM 998 OG SER A 71 -2.600 7.912 -4.275 1.00 0.00 O ATOM 0 H SER A 71 -1.183 10.423 -2.722 1.00 0.00 H new ATOM 0 HA SER A 71 0.031 7.948 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.093 7.284 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.511 8.980 -2.525 1.00 0.00 H new ATOM 0 HG SER A 71 -2.899 8.758 -4.669 1.00 0.00 H new ATOM 1003 N LYS A 72 0.069 8.915 -5.542 1.00 0.00 N ATOM 1004 CA LYS A 72 0.668 8.646 -6.850 1.00 0.00 C ATOM 1005 C LYS A 72 2.179 8.401 -6.758 1.00 0.00 C ATOM 1006 O LYS A 72 2.702 7.514 -7.425 1.00 0.00 O ATOM 1007 CB LYS A 72 0.384 9.805 -7.816 1.00 0.00 C ATOM 1008 CG LYS A 72 -1.103 10.161 -7.828 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.377 11.312 -8.803 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.870 11.655 -8.792 1.00 0.00 C ATOM 1011 NZ LYS A 72 -3.126 12.965 -9.421 1.00 0.00 N ATOM 0 H LYS A 72 -0.414 9.812 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 72 0.210 7.733 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.968 10.678 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.703 9.531 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.689 9.288 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.422 10.444 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.791 12.187 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.066 11.031 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.427 10.881 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.235 11.665 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.028 13.348 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.355 13.621 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.176 12.851 -10.453 1.00 0.00 H new ATOM 1021 N THR A 73 2.869 9.176 -5.912 1.00 0.00 N ATOM 1022 CA THR A 73 4.317 9.021 -5.680 1.00 0.00 C ATOM 1023 C THR A 73 4.689 8.041 -4.554 1.00 0.00 C ATOM 1024 O THR A 73 5.857 7.926 -4.184 1.00 0.00 O ATOM 1025 CB THR A 73 5.000 10.382 -5.505 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.398 10.212 -5.585 1.00 0.00 O ATOM 1027 CG2 THR A 73 4.687 11.102 -4.199 1.00 0.00 C ATOM 0 H THR A 73 2.444 9.927 -5.369 1.00 0.00 H new ATOM 0 HA THR A 73 4.704 8.553 -6.585 1.00 0.00 H new ATOM 0 HB THR A 73 4.603 11.007 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.651 9.373 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.218 12.054 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.614 11.283 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.005 10.485 -3.358 1.00 0.00 H new ATOM 1035 N PHE A 74 3.688 7.340 -4.029 1.00 0.00 N ATOM 1036 CA PHE A 74 3.751 6.275 -3.026 1.00 0.00 C ATOM 1037 C PHE A 74 3.344 4.921 -3.614 1.00 0.00 C ATOM 1038 O PHE A 74 3.724 3.865 -3.109 1.00 0.00 O ATOM 1039 CB PHE A 74 2.817 6.702 -1.908 1.00 0.00 C ATOM 1040 CG PHE A 74 3.368 7.614 -0.835 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.739 7.930 -0.696 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.445 8.111 0.093 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.172 8.721 0.382 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.870 8.924 1.147 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.224 9.254 1.270 1.00 0.00 C ATOM 0 H PHE A 74 2.726 7.517 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 74 4.768 6.138 -2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.959 7.199 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.444 5.801 -1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.454 7.564 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.398 7.865 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.224 8.917 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.155 9.297 1.865 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.543 9.924 2.055 1.00 0.00 H new ATOM 1054 N ILE A 75 2.556 4.948 -4.684 1.00 0.00 N ATOM 1055 CA ILE A 75 2.237 3.786 -5.482 1.00 0.00 C ATOM 1056 C ILE A 75 3.462 3.191 -6.165 1.00 0.00 C ATOM 1057 O ILE A 75 4.414 3.880 -6.527 1.00 0.00 O ATOM 1058 CB ILE A 75 1.208 4.209 -6.553 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.157 4.170 -5.874 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.192 3.387 -7.856 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.273 4.537 -6.831 1.00 0.00 C ATOM 0 H ILE A 75 2.114 5.803 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 75 1.836 3.017 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 75 1.493 5.201 -6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.335 3.172 -5.474 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.162 4.858 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.428 3.782 -8.526 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.167 3.452 -8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.970 2.345 -7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.229 4.497 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.109 5.545 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.285 3.833 -7.663 1.00 0.00 H new ATOM 1072 N ILE A 76 3.351 1.891 -6.413 1.00 0.00 N ATOM 1073 CA ILE A 76 4.239 1.111 -7.264 1.00 0.00 C ATOM 1074 C ILE A 76 3.491 0.463 -8.448 1.00 0.00 C ATOM 1075 O ILE A 76 4.120 0.097 -9.443 1.00 0.00 O ATOM 1076 CB ILE A 76 4.976 0.077 -6.414 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.949 -0.880 -5.800 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.818 0.767 -5.332 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.666 -1.956 -4.990 1.00 0.00 C ATOM 0 H ILE A 76 2.604 1.327 -6.007 1.00 0.00 H new ATOM 0 HA ILE A 76 4.972 1.783 -7.711 1.00 0.00 H new ATOM 0 HB ILE A 76 5.663 -0.494 -7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.261 -0.328 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.352 -1.341 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.335 0.014 -4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.550 1.422 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.168 1.356 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.932 -2.634 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.336 -2.516 -5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.243 -1.487 -4.193 1.00 0.00 H new ATOM 1090 N GLY A 77 2.161 0.297 -8.346 1.00 0.00 N ATOM 1091 CA GLY A 77 1.292 -0.081 -9.458 1.00 0.00 C ATOM 1092 C GLY A 77 -0.070 -0.624 -9.013 1.00 0.00 C ATOM 1093 O GLY A 77 -0.825 0.112 -8.386 1.00 0.00 O ATOM 0 H GLY A 77 1.657 0.426 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.136 0.787 -10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.796 -0.836 -10.062 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.391 -1.887 -9.327 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.674 -2.526 -9.007 1.00 0.00 C ATOM 1099 C GLU A 78 -1.505 -3.949 -8.475 1.00 0.00 C ATOM 1100 O GLU A 78 -0.517 -4.623 -8.765 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.588 -2.569 -10.233 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.802 -1.196 -10.884 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.120 -1.114 -11.636 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.530 -2.153 -12.205 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.728 -0.024 -11.579 1.00 0.00 O ATOM 0 H GLU A 78 0.250 -2.507 -9.822 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.125 -1.915 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.162 -3.250 -10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.555 -2.979 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.776 -0.424 -10.115 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.981 -0.990 -11.571 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.537 -4.459 -7.801 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.568 -5.806 -7.225 1.00 0.00 C ATOM 1112 C LEU A 79 -2.669 -6.951 -8.215 1.00 0.00 C ATOM 1113 O LEU A 79 -2.934 -8.073 -7.815 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.624 -5.842 -6.107 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.934 -6.608 -6.404 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.961 -7.813 -5.476 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.173 -5.767 -6.122 1.00 0.00 C ATOM 0 H LEU A 79 -3.396 -3.934 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.584 -5.996 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.166 -6.284 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.883 -4.814 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.951 -6.881 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.872 -8.386 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.093 -8.442 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.938 -7.475 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.067 -6.349 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.184 -5.476 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.156 -4.874 -6.746 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.419 -6.663 -9.490 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.568 -7.569 -10.606 1.00 0.00 C ATOM 1130 C HIS A 80 -4.037 -7.884 -10.853 1.00 0.00 C ATOM 1131 O HIS A 80 -4.876 -7.886 -9.953 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.714 -8.809 -10.368 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.397 -9.709 -11.522 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.967 -10.904 -11.867 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.374 -9.484 -12.393 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.388 -11.310 -13.009 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.397 -10.479 -13.368 1.00 0.00 N ATOM 0 H HIS A 80 -2.090 -5.741 -9.778 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.208 -7.099 -11.521 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.768 -8.479 -9.940 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.214 -9.411 -9.610 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.335 -8.671 -12.337 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.681 -12.189 -13.565 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.211 -10.559 -14.183 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.420 -8.033 -12.116 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.759 -8.469 -12.411 1.00 0.00 C ATOM 1146 C PRO A 81 -5.969 -9.939 -12.108 1.00 0.00 C ATOM 1147 O PRO A 81 -7.120 -10.355 -12.053 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.920 -8.221 -13.894 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.508 -8.307 -14.465 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.659 -7.766 -13.325 1.00 0.00 C ATOM 0 HA PRO A 81 -6.487 -7.935 -11.800 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.576 -8.963 -14.349 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.364 -7.244 -14.085 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.236 -9.331 -14.723 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.399 -7.710 -15.371 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.686 -8.256 -13.293 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.474 -6.699 -13.445 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.898 -10.711 -11.884 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.117 -12.162 -11.683 1.00 0.00 C ATOM 1157 C ASP A 82 -5.257 -12.488 -10.189 1.00 0.00 C ATOM 1158 O ASP A 82 -4.868 -13.553 -9.717 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.084 -13.001 -12.457 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.571 -14.398 -12.821 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.691 -14.493 -13.367 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.776 -15.338 -12.613 1.00 0.00 O ATOM 0 H ASP A 82 -3.930 -10.391 -11.838 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.071 -12.454 -12.122 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.812 -12.472 -13.371 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.178 -13.088 -11.857 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.786 -11.505 -9.455 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.822 -11.460 -8.017 1.00 0.00 C ATOM 1168 C ASP A 83 -7.145 -10.816 -7.540 1.00 0.00 C ATOM 1169 O ASP A 83 -7.844 -11.360 -6.687 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.560 -10.668 -7.677 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.001 -11.090 -6.342 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.787 -11.088 -5.375 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.793 -11.423 -6.323 1.00 0.00 O ATOM 0 H ASP A 83 -6.218 -10.686 -9.882 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.817 -12.428 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.811 -10.820 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.789 -9.602 -7.659 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.491 -9.670 -8.147 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.786 -8.989 -8.056 1.00 0.00 C ATOM 1179 C ARG A 84 -10.008 -9.913 -8.215 1.00 0.00 C ATOM 1180 O ARG A 84 -10.969 -9.710 -7.439 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.844 -7.925 -9.163 1.00 0.00 C ATOM 1182 CG ARG A 84 -7.990 -6.711 -8.807 1.00 0.00 C ATOM 1183 CD ARG A 84 -7.902 -5.706 -9.959 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.559 -5.719 -10.574 1.00 0.00 N ATOM 1185 CZ ARG A 84 -5.970 -4.662 -11.154 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.600 -3.508 -11.319 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -4.722 -4.700 -11.590 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.001 -10.731 -9.160 1.00 0.00 O ATOM 0 H ARG A 84 -6.836 -9.168 -8.747 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.845 -8.568 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.496 -8.355 -10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.877 -7.613 -9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.409 -6.219 -7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.987 -7.041 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.653 -5.945 -10.712 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.127 -4.705 -9.591 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.041 -6.597 -10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.563 -3.403 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.122 -2.725 -11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.173 -5.554 -11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.309 -3.876 -12.026 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.800 8.898 6.319 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.775 11.511 8.384 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.357 11.228 4.150 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.225 6.379 4.025 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.118 6.618 8.582 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.524 10.976 6.316 1.00 0.00 N HETATM 1206 C1A HEM A 201 -3.056 11.817 7.238 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.860 13.164 6.773 1.00 0.00 C HETATM 1208 C3A HEM A 201 -2.088 13.103 5.639 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.935 11.704 5.316 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.643 14.287 4.811 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.652 14.353 7.263 1.00 0.00 C HETATM 1212 CBA HEM A 201 -5.129 14.264 6.893 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.410 14.705 5.458 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.532 13.824 4.579 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.517 15.932 5.261 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.910 8.811 4.478 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.372 9.882 3.796 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.850 9.386 2.550 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.099 8.040 2.530 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.795 7.670 3.731 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.316 10.227 1.426 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.422 7.048 1.618 1.00 0.00 C HETATM 1223 CBB HEM A 201 -1.052 6.575 0.524 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.161 6.877 6.277 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.855 6.050 5.220 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.328 4.729 5.550 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.733 4.801 6.863 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.710 6.166 7.311 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.418 3.540 4.612 1.00 0.00 C HETATM 1230 CAC HEM A 201 -3.953 3.626 7.779 1.00 0.00 C HETATM 1231 CBC HEM A 201 -5.108 2.945 7.707 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.759 9.044 8.171 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.171 7.981 8.918 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.689 8.520 10.157 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.713 9.892 10.043 1.00 0.00 C HETATM 1236 C4D HEM A 201 -4.042 10.216 8.809 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.138 7.726 11.350 1.00 0.00 C HETATM 1238 CAD HEM A 201 -5.246 10.878 11.065 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.693 10.668 11.503 1.00 0.00 C HETATM 1240 CGD HEM A 201 -7.061 11.623 12.631 1.00 0.00 C HETATM 1241 O1D HEM A 201 -7.343 11.114 13.737 1.00 0.00 O HETATM 1242 O2D HEM A 201 -7.030 12.843 12.368 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.763 14.014 4.229 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.398 15.120 5.470 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.447 14.582 4.137 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.453 9.672 0.890 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.113 11.144 1.830 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.127 10.477 0.742 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.592 3.891 3.595 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.242 2.896 4.919 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.485 2.978 4.647 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -4.970 8.306 12.257 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.570 6.797 11.403 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -6.200 7.497 11.256 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.551 5.858 -0.126 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -2.063 6.909 0.290 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -5.280 2.093 8.364 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -5.874 3.245 6.991 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.708 14.883 7.578 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.470 13.237 7.026 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -3.230 15.265 6.842 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.556 14.428 8.346 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.832 9.638 11.832 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -7.360 10.825 10.656 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.153 11.883 10.654 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.609 10.835 11.949 1.00 0.00 H new HETATM 0 HHA HEM A 201 -4.150 12.329 8.982 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.874 11.931 3.488 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.062 5.600 3.294 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.401 5.888 9.326 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.589 6.709 1.846 1.00 0.00 H new HETATM 0 HAC HEM A 201 -3.183 3.332 8.492 1.00 0.00 H new