USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=25 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= -0.701 K(o=-1,f=-8.3!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.306 K(o=-1,f=-4.9!) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.962 K(o=-2.5,f=-7.1!) USER MOD Set 2.2: A 201 HEM CMD :methyl -30:sc= -3.45! (180deg=-3.85!) USER MOD Set 3.1: A 30 TYR OH : rot -9:sc= 1.04 USER MOD Set 3.2: A 71 SER OG : rot -70:sc= 1.89 USER MOD Set 4.1: A 15 HIS : no HD1:sc= 0.14 K(o=4.3,f=-4.2!) USER MOD Set 4.2: A 19 LYS NZ :NH3+ -147:sc= 2.15 (180deg=1.08) USER MOD Set 4.3: A 20 SER OG : rot 148:sc= 1.99 USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= 2.43 (180deg=2.15) USER MOD Single : A 6 TYR OH : rot 138:sc= 1.24 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -81:sc= 1.53 USER MOD Single : A 13 GLN : amide:sc= 0.645 K(o=0.64,f=-0.12) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= 1.1 (180deg=0.508) USER MOD Single : A 16 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.9) USER MOD Single : A 17 ASN : amide:sc= 0.573 K(o=0.57,f=-9.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 21 THR OG1 : rot 15:sc= 0.732 USER MOD Single : A 26 HIS : no HD1:sc= -0.0451 K(o=-0.045,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.915) USER MOD Single : A 33 THR OG1 : rot 97:sc= 1.98 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 0.409 (180deg=-0.468) USER MOD Single : A 55 THR OG1 : rot 97:sc= 1.9 USER MOD Single : A 64 SER OG : rot 123:sc= 1.24 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 0.783 (180deg=-1.37!) USER MOD Single : A 73 THR OG1 : rot -47:sc= 0.0997 USER MOD Single : A 80 HIS : no HE2:sc= -0.977 K(o=-0.98,f=-8.1!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0605 (180deg=-0.499) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -1.81 (180deg=-1.81) USER MOD Single : A 201 HEM CMC :methyl -30:sc=-0.00305 (180deg=-0.709) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 0.725 -1.258 -19.217 1.00 0.00 N ATOM 2 CA ALA A 3 1.353 -0.335 -18.243 1.00 0.00 C ATOM 3 C ALA A 3 1.476 -1.001 -16.866 1.00 0.00 C ATOM 4 O ALA A 3 0.689 -1.902 -16.593 1.00 0.00 O ATOM 5 CB ALA A 3 0.553 0.969 -18.147 1.00 0.00 C ATOM 0 HA ALA A 3 2.357 -0.096 -18.594 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.028 1.635 -17.427 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.525 1.451 -19.124 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.464 0.749 -17.821 1.00 0.00 H new ATOM 13 N VAL A 4 2.448 -0.558 -16.056 1.00 0.00 N ATOM 14 CA VAL A 4 2.863 -1.101 -14.754 1.00 0.00 C ATOM 15 C VAL A 4 3.281 -2.587 -14.746 1.00 0.00 C ATOM 16 O VAL A 4 2.976 -3.353 -15.656 1.00 0.00 O ATOM 17 CB VAL A 4 1.913 -0.723 -13.593 1.00 0.00 C ATOM 18 CG1 VAL A 4 1.572 0.771 -13.598 1.00 0.00 C ATOM 19 CG2 VAL A 4 0.618 -1.539 -13.519 1.00 0.00 C ATOM 0 H VAL A 4 3.009 0.254 -16.315 1.00 0.00 H new ATOM 0 HA VAL A 4 3.800 -0.578 -14.560 1.00 0.00 H new ATOM 0 HB VAL A 4 2.487 -0.974 -12.701 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.903 0.994 -12.767 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.487 1.353 -13.493 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.083 1.029 -14.537 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.021 -1.198 -12.673 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.051 -1.406 -14.440 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.860 -2.594 -13.391 1.00 0.00 H new ATOM 29 N LYS A 5 4.018 -2.975 -13.700 1.00 0.00 N ATOM 30 CA LYS A 5 4.518 -4.335 -13.467 1.00 0.00 C ATOM 31 C LYS A 5 3.461 -5.247 -12.861 1.00 0.00 C ATOM 32 O LYS A 5 3.447 -6.431 -13.184 1.00 0.00 O ATOM 33 CB LYS A 5 5.808 -4.245 -12.622 1.00 0.00 C ATOM 34 CG LYS A 5 6.077 -5.364 -11.601 1.00 0.00 C ATOM 35 CD LYS A 5 6.491 -6.726 -12.189 1.00 0.00 C ATOM 36 CE LYS A 5 6.770 -7.767 -11.084 1.00 0.00 C ATOM 37 NZ LYS A 5 5.534 -8.337 -10.497 1.00 0.00 N ATOM 0 H LYS A 5 4.294 -2.325 -12.964 1.00 0.00 H new ATOM 0 HA LYS A 5 4.761 -4.803 -14.421 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.655 -4.206 -13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.790 -3.298 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.862 -5.029 -10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.177 -5.507 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.701 -7.094 -12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.382 -6.601 -12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.374 -8.574 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.359 -7.301 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.694 -8.550 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.758 -7.650 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.282 -9.211 -11.001 1.00 0.00 H new ATOM 47 N TYR A 6 2.616 -4.696 -11.983 1.00 0.00 N ATOM 48 CA TYR A 6 1.634 -5.428 -11.182 1.00 0.00 C ATOM 49 C TYR A 6 2.320 -6.276 -10.127 1.00 0.00 C ATOM 50 O TYR A 6 3.390 -6.835 -10.357 1.00 0.00 O ATOM 51 CB TYR A 6 0.718 -6.320 -12.023 1.00 0.00 C ATOM 52 CG TYR A 6 -0.059 -5.602 -13.111 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.259 -4.939 -12.809 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.466 -5.527 -14.415 1.00 0.00 C ATOM 55 CE1 TYR A 6 -1.886 -4.131 -13.774 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.139 -4.692 -15.367 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.294 -3.970 -15.035 1.00 0.00 C ATOM 58 OH TYR A 6 -1.715 -2.975 -15.855 1.00 0.00 O ATOM 0 H TYR A 6 2.598 -3.692 -11.806 1.00 0.00 H new ATOM 0 HA TYR A 6 1.013 -4.669 -10.707 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.322 -7.101 -12.485 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.010 -6.815 -11.359 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.703 -5.050 -11.831 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.334 -6.112 -14.683 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.819 -3.637 -13.545 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.286 -4.606 -16.356 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.940 -2.553 -16.282 1.00 0.00 H new ATOM 67 N TYR A 7 1.706 -6.381 -8.958 1.00 0.00 N ATOM 68 CA TYR A 7 2.226 -7.249 -7.924 1.00 0.00 C ATOM 69 C TYR A 7 1.083 -8.098 -7.390 1.00 0.00 C ATOM 70 O TYR A 7 0.052 -7.571 -6.992 1.00 0.00 O ATOM 71 CB TYR A 7 2.959 -6.419 -6.872 1.00 0.00 C ATOM 72 CG TYR A 7 4.001 -5.483 -7.454 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.304 -5.947 -7.710 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.631 -4.184 -7.851 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.272 -5.067 -8.222 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.573 -3.347 -8.474 1.00 0.00 C ATOM 77 CZ TYR A 7 5.907 -3.760 -8.584 1.00 0.00 C ATOM 78 OH TYR A 7 6.827 -2.925 -9.135 1.00 0.00 O ATOM 0 H TYR A 7 0.854 -5.879 -8.707 1.00 0.00 H new ATOM 0 HA TYR A 7 2.974 -7.942 -8.309 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.230 -5.834 -6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.442 -7.091 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.560 -6.978 -7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.625 -3.831 -7.677 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.295 -5.395 -8.337 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.269 -2.388 -8.867 1.00 0.00 H new ATOM 0 HH TYR A 7 6.410 -2.059 -9.327 1.00 0.00 H new ATOM 87 N THR A 8 1.242 -9.415 -7.450 1.00 0.00 N ATOM 88 CA THR A 8 0.224 -10.350 -6.985 1.00 0.00 C ATOM 89 C THR A 8 0.063 -10.190 -5.484 1.00 0.00 C ATOM 90 O THR A 8 1.021 -9.897 -4.783 1.00 0.00 O ATOM 91 CB THR A 8 0.644 -11.781 -7.327 1.00 0.00 C ATOM 92 OG1 THR A 8 1.920 -12.055 -6.779 1.00 0.00 O ATOM 93 CG2 THR A 8 0.694 -11.973 -8.844 1.00 0.00 C ATOM 0 H THR A 8 2.079 -9.864 -7.822 1.00 0.00 H new ATOM 0 HA THR A 8 -0.727 -10.143 -7.475 1.00 0.00 H new ATOM 0 HB THR A 8 -0.090 -12.467 -6.903 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.614 -11.692 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.994 -12.996 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.292 -11.781 -9.268 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.415 -11.279 -9.275 1.00 0.00 H new ATOM 101 N LEU A 9 -1.131 -10.403 -4.956 1.00 0.00 N ATOM 102 CA LEU A 9 -1.375 -10.505 -3.526 1.00 0.00 C ATOM 103 C LEU A 9 -0.277 -11.336 -2.833 1.00 0.00 C ATOM 104 O LEU A 9 0.186 -10.974 -1.765 1.00 0.00 O ATOM 105 CB LEU A 9 -2.691 -11.237 -3.389 1.00 0.00 C ATOM 106 CG LEU A 9 -3.519 -10.967 -2.128 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.717 -11.922 -2.107 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.742 -11.091 -0.819 1.00 0.00 C ATOM 0 H LEU A 9 -1.974 -10.512 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.385 -9.517 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.305 -10.991 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.488 -12.307 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.835 -9.925 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.313 -11.738 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.330 -11.756 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.361 -12.952 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.407 -10.883 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.345 -12.102 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.919 -10.376 -0.815 1.00 0.00 H new ATOM 119 N GLU A 10 0.141 -12.455 -3.442 1.00 0.00 N ATOM 120 CA GLU A 10 1.290 -13.246 -3.005 1.00 0.00 C ATOM 121 C GLU A 10 2.534 -12.366 -2.815 1.00 0.00 C ATOM 122 O GLU A 10 3.137 -12.342 -1.740 1.00 0.00 O ATOM 123 CB GLU A 10 1.559 -14.391 -4.003 1.00 0.00 C ATOM 124 CG GLU A 10 3.026 -14.838 -3.858 1.00 0.00 C ATOM 125 CD GLU A 10 3.389 -16.225 -4.354 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.501 -16.955 -4.835 1.00 0.00 O ATOM 127 OE2 GLU A 10 4.599 -16.507 -4.196 1.00 0.00 O ATOM 0 H GLU A 10 -0.321 -12.839 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 10 1.056 -13.685 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.888 -15.228 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.365 -14.057 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.651 -14.118 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.293 -14.778 -2.803 1.00 0.00 H new ATOM 132 N GLU A 11 2.937 -11.664 -3.874 1.00 0.00 N ATOM 133 CA GLU A 11 4.043 -10.723 -3.842 1.00 0.00 C ATOM 134 C GLU A 11 3.816 -9.715 -2.734 1.00 0.00 C ATOM 135 O GLU A 11 4.574 -9.670 -1.774 1.00 0.00 O ATOM 136 CB GLU A 11 4.191 -10.042 -5.219 1.00 0.00 C ATOM 137 CG GLU A 11 5.006 -10.840 -6.247 1.00 0.00 C ATOM 138 CD GLU A 11 4.775 -10.298 -7.652 1.00 0.00 C ATOM 139 OE1 GLU A 11 3.638 -10.490 -8.134 1.00 0.00 O ATOM 140 OE2 GLU A 11 5.693 -9.661 -8.217 1.00 0.00 O ATOM 0 H GLU A 11 2.494 -11.738 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 11 4.975 -11.248 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.197 -9.859 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.662 -9.069 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.066 -10.785 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.723 -11.892 -6.206 1.00 0.00 H new ATOM 145 N ILE A 12 2.729 -8.960 -2.829 1.00 0.00 N ATOM 146 CA ILE A 12 2.351 -7.961 -1.853 1.00 0.00 C ATOM 147 C ILE A 12 2.425 -8.514 -0.427 1.00 0.00 C ATOM 148 O ILE A 12 2.975 -7.848 0.453 1.00 0.00 O ATOM 149 CB ILE A 12 0.965 -7.395 -2.199 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.855 -6.869 -3.642 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.611 -6.231 -1.274 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.604 -6.596 -3.989 1.00 0.00 C ATOM 0 H ILE A 12 2.074 -9.031 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 12 3.065 -7.138 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 12 0.281 -8.235 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.440 -5.956 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.272 -7.599 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.374 -5.845 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.602 -6.577 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.352 -5.440 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.671 -6.224 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.178 -7.518 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.007 -5.850 -3.304 1.00 0.00 H new ATOM 163 N GLN A 13 1.966 -9.750 -0.194 1.00 0.00 N ATOM 164 CA GLN A 13 2.045 -10.305 1.162 1.00 0.00 C ATOM 165 C GLN A 13 3.468 -10.338 1.720 1.00 0.00 C ATOM 166 O GLN A 13 3.674 -10.190 2.923 1.00 0.00 O ATOM 167 CB GLN A 13 1.463 -11.717 1.218 1.00 0.00 C ATOM 168 CG GLN A 13 -0.056 -11.671 1.424 1.00 0.00 C ATOM 169 CD GLN A 13 -0.467 -11.214 2.821 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.498 -12.003 3.755 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.804 -9.942 2.993 1.00 0.00 N ATOM 0 H GLN A 13 1.552 -10.364 -0.896 1.00 0.00 H new ATOM 0 HA GLN A 13 1.455 -9.631 1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.694 -12.247 0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.928 -12.275 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.495 -10.999 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.470 -12.662 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.773 -9.295 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.094 -9.611 3.913 1.00 0.00 H new ATOM 178 N LYS A 14 4.452 -10.536 0.847 1.00 0.00 N ATOM 179 CA LYS A 14 5.843 -10.643 1.244 1.00 0.00 C ATOM 180 C LYS A 14 6.472 -9.266 1.551 1.00 0.00 C ATOM 181 O LYS A 14 7.614 -9.197 2.006 1.00 0.00 O ATOM 182 CB LYS A 14 6.578 -11.429 0.146 1.00 0.00 C ATOM 183 CG LYS A 14 6.389 -12.937 0.378 1.00 0.00 C ATOM 184 CD LYS A 14 6.919 -13.807 -0.777 1.00 0.00 C ATOM 185 CE LYS A 14 5.824 -14.060 -1.823 1.00 0.00 C ATOM 186 NZ LYS A 14 6.252 -15.026 -2.861 1.00 0.00 N ATOM 0 H LYS A 14 4.301 -10.626 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 14 5.931 -11.185 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.193 -11.150 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.639 -11.180 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.897 -13.221 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.329 -13.144 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.769 -13.314 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.279 -14.758 -0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.930 -14.436 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.552 -13.117 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.432 -15.581 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.655 -14.511 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.971 -15.665 -2.465 1.00 0.00 H new ATOM 196 N HIS A 15 5.731 -8.170 1.332 1.00 0.00 N ATOM 197 CA HIS A 15 6.130 -6.803 1.671 1.00 0.00 C ATOM 198 C HIS A 15 5.197 -6.155 2.712 1.00 0.00 C ATOM 199 O HIS A 15 4.268 -5.429 2.364 1.00 0.00 O ATOM 200 CB HIS A 15 6.145 -5.953 0.401 1.00 0.00 C ATOM 201 CG HIS A 15 7.006 -6.478 -0.717 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.287 -6.093 -1.023 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.579 -7.298 -1.721 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.644 -6.717 -2.158 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.636 -7.472 -2.619 1.00 0.00 N ATOM 0 H HIS A 15 4.808 -8.216 0.900 1.00 0.00 H new ATOM 0 HA HIS A 15 7.125 -6.852 2.114 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.122 -5.858 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.486 -4.950 0.659 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.596 -7.736 -1.807 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.609 -6.624 -2.633 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.640 -8.055 -3.456 1.00 0.00 H new ATOM 212 N ASN A 16 5.468 -6.359 4.004 1.00 0.00 N ATOM 213 CA ASN A 16 4.607 -5.870 5.083 1.00 0.00 C ATOM 214 C ASN A 16 5.353 -5.318 6.312 1.00 0.00 C ATOM 215 O ASN A 16 4.745 -5.201 7.374 1.00 0.00 O ATOM 216 CB ASN A 16 3.637 -6.996 5.470 1.00 0.00 C ATOM 217 CG ASN A 16 4.343 -8.203 6.081 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.566 -8.265 6.163 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.578 -9.190 6.523 1.00 0.00 N ATOM 0 H ASN A 16 6.290 -6.867 4.331 1.00 0.00 H new ATOM 0 HA ASN A 16 4.068 -5.003 4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.906 -6.611 6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.085 -7.313 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.004 -10.018 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.563 -9.122 6.447 1.00 0.00 H new ATOM 225 N ASN A 17 6.647 -4.973 6.216 1.00 0.00 N ATOM 226 CA ASN A 17 7.364 -4.456 7.391 1.00 0.00 C ATOM 227 C ASN A 17 8.584 -3.587 7.021 1.00 0.00 C ATOM 228 O ASN A 17 8.695 -3.155 5.880 1.00 0.00 O ATOM 229 CB ASN A 17 7.711 -5.645 8.312 1.00 0.00 C ATOM 230 CG ASN A 17 7.819 -5.246 9.778 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.968 -4.072 10.101 1.00 0.00 O ATOM 232 ND2 ASN A 17 7.755 -6.204 10.690 1.00 0.00 N ATOM 0 H ASN A 17 7.204 -5.040 5.364 1.00 0.00 H new ATOM 0 HA ASN A 17 6.715 -3.769 7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.948 -6.416 8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.655 -6.085 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.830 -5.971 11.680 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.631 -7.175 10.402 1.00 0.00 H new ATOM 238 N SER A 18 9.523 -3.342 7.946 1.00 0.00 N ATOM 239 CA SER A 18 10.841 -2.737 7.685 1.00 0.00 C ATOM 240 C SER A 18 11.463 -3.315 6.405 1.00 0.00 C ATOM 241 O SER A 18 11.966 -2.598 5.545 1.00 0.00 O ATOM 242 CB SER A 18 11.741 -3.040 8.888 1.00 0.00 C ATOM 243 OG SER A 18 11.708 -4.438 9.133 1.00 0.00 O ATOM 0 H SER A 18 9.383 -3.567 8.931 1.00 0.00 H new ATOM 0 HA SER A 18 10.734 -1.661 7.544 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.762 -2.714 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.397 -2.493 9.766 1.00 0.00 H new ATOM 0 HG SER A 18 12.281 -4.649 9.900 1.00 0.00 H new ATOM 248 N LYS A 19 11.358 -4.641 6.306 1.00 0.00 N ATOM 249 CA LYS A 19 11.566 -5.518 5.154 1.00 0.00 C ATOM 250 C LYS A 19 11.257 -4.830 3.804 1.00 0.00 C ATOM 251 O LYS A 19 11.962 -5.018 2.811 1.00 0.00 O ATOM 252 CB LYS A 19 10.575 -6.682 5.371 1.00 0.00 C ATOM 253 CG LYS A 19 11.034 -8.083 4.948 1.00 0.00 C ATOM 254 CD LYS A 19 11.593 -8.202 3.522 1.00 0.00 C ATOM 255 CE LYS A 19 10.510 -7.948 2.466 1.00 0.00 C ATOM 256 NZ LYS A 19 11.006 -7.078 1.383 1.00 0.00 N ATOM 0 H LYS A 19 11.095 -5.188 7.126 1.00 0.00 H new ATOM 0 HA LYS A 19 12.610 -5.826 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.321 -6.716 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.658 -6.450 4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.799 -8.420 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.190 -8.766 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.406 -7.488 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.015 -9.196 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.178 -8.898 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.642 -7.486 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.227 -6.487 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.765 -6.468 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.376 -7.665 0.608 1.00 0.00 H new ATOM 266 N SER A 20 10.129 -4.115 3.800 1.00 0.00 N ATOM 267 CA SER A 20 9.461 -3.286 2.790 1.00 0.00 C ATOM 268 C SER A 20 7.960 -3.303 3.121 1.00 0.00 C ATOM 269 O SER A 20 7.426 -4.395 3.315 1.00 0.00 O ATOM 270 CB SER A 20 9.682 -3.785 1.360 1.00 0.00 C ATOM 271 OG SER A 20 9.269 -5.140 1.282 1.00 0.00 O ATOM 0 H SER A 20 9.570 -4.105 4.653 1.00 0.00 H new ATOM 0 HA SER A 20 9.881 -2.281 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.115 -3.176 0.656 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.733 -3.694 1.086 1.00 0.00 H new ATOM 0 HG SER A 20 8.921 -5.325 0.385 1.00 0.00 H new ATOM 276 N THR A 21 7.296 -2.148 3.232 1.00 0.00 N ATOM 277 CA THR A 21 5.926 -2.029 3.751 1.00 0.00 C ATOM 278 C THR A 21 4.945 -1.634 2.652 1.00 0.00 C ATOM 279 O THR A 21 4.798 -0.448 2.359 1.00 0.00 O ATOM 280 CB THR A 21 5.866 -0.994 4.889 1.00 0.00 C ATOM 281 OG1 THR A 21 6.811 -1.304 5.885 1.00 0.00 O ATOM 282 CG2 THR A 21 4.515 -1.028 5.596 1.00 0.00 C ATOM 0 H THR A 21 7.701 -1.253 2.959 1.00 0.00 H new ATOM 0 HA THR A 21 5.638 -3.007 4.136 1.00 0.00 H new ATOM 0 HB THR A 21 6.052 -0.023 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.453 -1.956 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.503 -0.286 6.394 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.724 -0.803 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.351 -2.019 6.019 1.00 0.00 H new ATOM 290 N TRP A 22 4.262 -2.612 2.054 1.00 0.00 N ATOM 291 CA TRP A 22 3.286 -2.353 1.005 1.00 0.00 C ATOM 292 C TRP A 22 1.876 -2.310 1.496 1.00 0.00 C ATOM 293 O TRP A 22 1.576 -2.614 2.635 1.00 0.00 O ATOM 294 CB TRP A 22 3.426 -3.363 -0.138 1.00 0.00 C ATOM 295 CG TRP A 22 4.678 -3.361 -0.947 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.817 -2.686 -0.710 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.919 -4.121 -2.153 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.737 -2.967 -1.698 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.233 -3.856 -2.627 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.135 -5.018 -2.887 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.719 -4.445 -3.805 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.669 -5.734 -3.962 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.942 -5.416 -4.454 1.00 0.00 C ATOM 0 H TRP A 22 4.372 -3.599 2.285 1.00 0.00 H new ATOM 0 HA TRP A 22 3.511 -1.354 0.631 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.308 -4.360 0.286 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.591 -3.207 -0.821 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.985 -2.024 0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.675 -2.567 -1.738 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.099 -5.160 -2.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.679 -4.154 -4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.100 -6.533 -4.414 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.324 -5.917 -5.331 1.00 0.00 H new ATOM 313 N LEU A 23 1.009 -1.864 0.604 1.00 0.00 N ATOM 314 CA LEU A 23 -0.406 -1.848 0.834 1.00 0.00 C ATOM 315 C LEU A 23 -1.139 -1.769 -0.499 1.00 0.00 C ATOM 316 O LEU A 23 -0.498 -1.495 -1.510 1.00 0.00 O ATOM 317 CB LEU A 23 -0.804 -0.694 1.763 1.00 0.00 C ATOM 318 CG LEU A 23 0.094 0.413 2.330 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.661 1.756 2.147 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.271 0.262 3.848 1.00 0.00 C ATOM 0 H LEU A 23 1.282 -1.500 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.693 -2.772 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.605 -0.171 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.251 -1.172 2.635 1.00 0.00 H new ATOM 0 HG LEU A 23 1.059 0.367 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.053 2.571 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.853 1.924 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.608 1.717 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.912 1.061 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.702 0.321 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.729 -0.703 4.067 1.00 0.00 H new ATOM 331 N ILE A 24 -2.458 -1.992 -0.500 1.00 0.00 N ATOM 332 CA ILE A 24 -3.301 -1.680 -1.653 1.00 0.00 C ATOM 333 C ILE A 24 -4.341 -0.645 -1.222 1.00 0.00 C ATOM 334 O ILE A 24 -5.026 -0.857 -0.221 1.00 0.00 O ATOM 335 CB ILE A 24 -4.009 -2.909 -2.265 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.081 -4.076 -2.628 1.00 0.00 C ATOM 337 CG2 ILE A 24 -4.766 -2.496 -3.529 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.722 -5.459 -2.441 1.00 0.00 C ATOM 0 H ILE A 24 -2.964 -2.390 0.291 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.648 -1.294 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.677 -3.267 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.767 -3.969 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.182 -4.017 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.263 -3.367 -3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.510 -1.741 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.065 -2.086 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.006 -6.232 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.011 -5.588 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.605 -5.539 -3.075 1.00 0.00 H new ATOM 349 N LEU A 25 -4.461 0.451 -1.974 1.00 0.00 N ATOM 350 CA LEU A 25 -5.552 1.413 -1.833 1.00 0.00 C ATOM 351 C LEU A 25 -6.203 1.551 -3.218 1.00 0.00 C ATOM 352 O LEU A 25 -5.551 1.968 -4.173 1.00 0.00 O ATOM 353 CB LEU A 25 -5.092 2.762 -1.232 1.00 0.00 C ATOM 354 CG LEU A 25 -3.983 2.668 -0.174 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.504 4.068 0.218 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.429 1.940 1.094 1.00 0.00 C ATOM 0 H LEU A 25 -3.795 0.697 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.286 1.054 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.744 3.402 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.956 3.255 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.177 2.093 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.718 3.987 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.114 4.579 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.339 4.637 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.602 1.906 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.270 2.470 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.734 0.924 0.842 1.00 0.00 H new ATOM 367 N HIS A 26 -7.466 1.139 -3.363 1.00 0.00 N ATOM 368 CA HIS A 26 -8.221 1.253 -4.615 1.00 0.00 C ATOM 369 C HIS A 26 -7.562 0.461 -5.766 1.00 0.00 C ATOM 370 O HIS A 26 -7.281 1.009 -6.830 1.00 0.00 O ATOM 371 CB HIS A 26 -8.413 2.741 -4.975 1.00 0.00 C ATOM 372 CG HIS A 26 -8.731 3.644 -3.805 1.00 0.00 C ATOM 373 ND1 HIS A 26 -9.977 3.878 -3.269 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.825 4.383 -3.088 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.822 4.738 -2.247 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.530 5.077 -2.101 1.00 0.00 N ATOM 0 H HIS A 26 -7.999 0.712 -2.606 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.203 0.804 -4.465 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.505 3.103 -5.458 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.217 2.822 -5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.759 4.422 -3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.627 5.106 -1.628 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.141 5.715 -1.407 1.00 0.00 H new ATOM 383 N TYR A 27 -7.249 -0.820 -5.527 1.00 0.00 N ATOM 384 CA TYR A 27 -6.479 -1.708 -6.412 1.00 0.00 C ATOM 385 C TYR A 27 -4.993 -1.358 -6.556 1.00 0.00 C ATOM 386 O TYR A 27 -4.208 -2.220 -6.953 1.00 0.00 O ATOM 387 CB TYR A 27 -7.058 -1.827 -7.824 1.00 0.00 C ATOM 388 CG TYR A 27 -8.549 -2.086 -7.926 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.051 -3.375 -7.673 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.413 -1.081 -8.399 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.397 -3.674 -7.938 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.772 -1.370 -8.620 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.261 -2.666 -8.393 1.00 0.00 C ATOM 394 OH TYR A 27 -12.565 -2.955 -8.646 1.00 0.00 O ATOM 0 H TYR A 27 -7.540 -1.289 -4.669 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.564 -2.660 -5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.834 -0.906 -8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.536 -2.633 -8.340 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.399 -4.138 -7.273 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.033 -0.089 -8.592 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.767 -4.678 -7.792 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.440 -0.594 -8.965 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.026 -2.146 -8.952 1.00 0.00 H new ATOM 403 N LYS A 28 -4.601 -0.112 -6.285 1.00 0.00 N ATOM 404 CA LYS A 28 -3.247 0.350 -6.535 1.00 0.00 C ATOM 405 C LYS A 28 -2.326 -0.007 -5.378 1.00 0.00 C ATOM 406 O LYS A 28 -2.721 0.148 -4.227 1.00 0.00 O ATOM 407 CB LYS A 28 -3.253 1.838 -6.861 1.00 0.00 C ATOM 408 CG LYS A 28 -3.915 1.979 -8.232 1.00 0.00 C ATOM 409 CD LYS A 28 -3.873 3.429 -8.701 1.00 0.00 C ATOM 410 CE LYS A 28 -4.327 3.555 -10.163 1.00 0.00 C ATOM 411 NZ LYS A 28 -5.539 2.752 -10.439 1.00 0.00 N ATOM 0 H LYS A 28 -5.216 0.598 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.845 -0.165 -7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.803 2.399 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.238 2.236 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.405 1.342 -8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.949 1.638 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.515 4.038 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.860 3.818 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.526 4.602 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.521 3.233 -10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.947 3.042 -11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.286 1.744 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.236 2.905 -9.683 1.00 0.00 H new ATOM 421 N VAL A 29 -1.126 -0.509 -5.688 1.00 0.00 N ATOM 422 CA VAL A 29 -0.170 -0.982 -4.690 1.00 0.00 C ATOM 423 C VAL A 29 0.825 0.117 -4.349 1.00 0.00 C ATOM 424 O VAL A 29 1.281 0.861 -5.222 1.00 0.00 O ATOM 425 CB VAL A 29 0.585 -2.251 -5.113 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.658 -2.650 -4.087 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.351 -3.447 -5.096 1.00 0.00 C ATOM 0 H VAL A 29 -0.791 -0.598 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.758 -1.245 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 29 1.006 -2.024 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.167 -3.552 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.382 -1.841 -3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.187 -2.840 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.195 -4.341 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.746 -3.586 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.175 -3.274 -5.789 1.00 0.00 H new ATOM 437 N TYR A 30 1.171 0.162 -3.069 1.00 0.00 N ATOM 438 CA TYR A 30 1.948 1.140 -2.370 1.00 0.00 C ATOM 439 C TYR A 30 3.202 0.489 -1.765 1.00 0.00 C ATOM 440 O TYR A 30 3.146 -0.696 -1.463 1.00 0.00 O ATOM 441 CB TYR A 30 0.927 1.612 -1.331 1.00 0.00 C ATOM 442 CG TYR A 30 -0.075 2.580 -1.904 1.00 0.00 C ATOM 443 CD1 TYR A 30 0.313 3.907 -2.115 1.00 0.00 C ATOM 444 CD2 TYR A 30 -1.303 2.127 -2.408 1.00 0.00 C ATOM 445 CE1 TYR A 30 -0.570 4.806 -2.720 1.00 0.00 C ATOM 446 CE2 TYR A 30 -2.166 3.022 -3.065 1.00 0.00 C ATOM 447 CZ TYR A 30 -1.822 4.376 -3.176 1.00 0.00 C ATOM 448 OH TYR A 30 -2.675 5.266 -3.755 1.00 0.00 O ATOM 0 H TYR A 30 0.871 -0.579 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 30 2.351 1.958 -2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.401 0.748 -0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.451 2.086 -0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.295 4.237 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.586 1.091 -2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.284 5.841 -2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.095 2.665 -3.485 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.321 6.174 -3.650 1.00 0.00 H new ATOM 457 N ASP A 31 4.312 1.232 -1.623 1.00 0.00 N ATOM 458 CA ASP A 31 5.490 0.853 -0.810 1.00 0.00 C ATOM 459 C ASP A 31 5.931 2.071 0.013 1.00 0.00 C ATOM 460 O ASP A 31 6.443 3.047 -0.538 1.00 0.00 O ATOM 461 CB ASP A 31 6.686 0.346 -1.629 1.00 0.00 C ATOM 462 CG ASP A 31 7.837 -0.173 -0.747 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.992 0.301 0.405 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.530 -1.101 -1.221 1.00 0.00 O ATOM 0 H ASP A 31 4.422 2.137 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 31 5.177 0.021 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.354 -0.453 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.055 1.153 -2.262 1.00 0.00 H new ATOM 468 N LEU A 32 5.726 2.015 1.328 1.00 0.00 N ATOM 469 CA LEU A 32 5.773 3.194 2.187 1.00 0.00 C ATOM 470 C LEU A 32 6.808 3.161 3.301 1.00 0.00 C ATOM 471 O LEU A 32 6.767 4.018 4.182 1.00 0.00 O ATOM 472 CB LEU A 32 4.377 3.352 2.778 1.00 0.00 C ATOM 473 CG LEU A 32 3.325 3.171 1.686 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.973 3.518 2.240 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.468 4.141 0.531 1.00 0.00 C ATOM 0 H LEU A 32 5.522 1.149 1.827 1.00 0.00 H new ATOM 0 HA LEU A 32 6.084 4.037 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.223 2.618 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.275 4.337 3.233 1.00 0.00 H new ATOM 0 HG LEU A 32 3.447 2.141 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.218 3.390 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.745 2.862 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.974 4.554 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.686 3.950 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.377 5.162 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.444 4.009 0.064 1.00 0.00 H new ATOM 486 N THR A 33 7.742 2.214 3.240 1.00 0.00 N ATOM 487 CA THR A 33 8.781 1.903 4.227 1.00 0.00 C ATOM 488 C THR A 33 9.496 3.110 4.866 1.00 0.00 C ATOM 489 O THR A 33 9.990 3.001 5.984 1.00 0.00 O ATOM 490 CB THR A 33 9.772 0.953 3.531 1.00 0.00 C ATOM 491 OG1 THR A 33 9.051 -0.019 2.789 1.00 0.00 O ATOM 492 CG2 THR A 33 10.640 0.198 4.537 1.00 0.00 C ATOM 0 H THR A 33 7.798 1.592 2.434 1.00 0.00 H new ATOM 0 HA THR A 33 8.297 1.445 5.089 1.00 0.00 H new ATOM 0 HB THR A 33 10.408 1.565 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.989 0.264 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.325 -0.461 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.211 0.911 5.132 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.004 -0.395 5.194 1.00 0.00 H new ATOM 500 N LYS A 34 9.538 4.260 4.187 1.00 0.00 N ATOM 501 CA LYS A 34 10.054 5.526 4.723 1.00 0.00 C ATOM 502 C LYS A 34 8.942 6.464 5.189 1.00 0.00 C ATOM 503 O LYS A 34 9.082 7.153 6.190 1.00 0.00 O ATOM 504 CB LYS A 34 10.832 6.239 3.612 1.00 0.00 C ATOM 505 CG LYS A 34 11.877 5.326 2.963 1.00 0.00 C ATOM 506 CD LYS A 34 13.312 5.882 2.976 1.00 0.00 C ATOM 507 CE LYS A 34 14.009 5.670 4.333 1.00 0.00 C ATOM 508 NZ LYS A 34 13.812 6.798 5.265 1.00 0.00 N ATOM 0 H LYS A 34 9.206 4.340 3.226 1.00 0.00 H new ATOM 0 HA LYS A 34 10.680 5.288 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.136 6.591 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.326 7.119 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.869 4.365 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.584 5.138 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.894 5.398 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.289 6.947 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.630 4.757 4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.077 5.524 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.075 6.503 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.408 7.598 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.813 7.088 5.253 1.00 0.00 H new ATOM 518 N PHE A 35 7.812 6.489 4.480 1.00 0.00 N ATOM 519 CA PHE A 35 6.686 7.337 4.887 1.00 0.00 C ATOM 520 C PHE A 35 6.282 7.029 6.332 1.00 0.00 C ATOM 521 O PHE A 35 5.902 7.917 7.086 1.00 0.00 O ATOM 522 CB PHE A 35 5.511 7.199 3.924 1.00 0.00 C ATOM 523 CG PHE A 35 4.315 8.039 4.321 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.486 9.405 4.612 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.028 7.474 4.361 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.372 10.227 4.828 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.916 8.289 4.627 1.00 0.00 C ATOM 528 CZ PHE A 35 2.086 9.674 4.806 1.00 0.00 C ATOM 0 H PHE A 35 7.651 5.942 3.634 1.00 0.00 H new ATOM 0 HA PHE A 35 7.005 8.378 4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.833 7.487 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.211 6.152 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.481 9.822 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.895 6.416 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.505 11.283 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.930 7.853 4.694 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.223 10.312 4.927 1.00 0.00 H new ATOM 537 N LEU A 36 6.445 5.761 6.713 1.00 0.00 N ATOM 538 CA LEU A 36 6.437 5.267 8.086 1.00 0.00 C ATOM 539 C LEU A 36 6.980 6.303 9.097 1.00 0.00 C ATOM 540 O LEU A 36 6.338 6.600 10.098 1.00 0.00 O ATOM 541 CB LEU A 36 7.331 4.015 8.089 1.00 0.00 C ATOM 542 CG LEU A 36 6.860 2.840 7.226 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.454 1.547 7.798 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.347 2.656 7.119 1.00 0.00 C ATOM 0 H LEU A 36 6.594 5.014 6.035 1.00 0.00 H new ATOM 0 HA LEU A 36 5.414 5.055 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.327 4.306 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.428 3.667 9.117 1.00 0.00 H new ATOM 0 HG LEU A 36 7.204 3.069 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.129 0.699 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.542 1.608 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.114 1.414 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.129 1.796 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.930 2.490 8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.902 3.550 6.683 1.00 0.00 H new ATOM 555 N GLU A 37 8.160 6.866 8.813 1.00 0.00 N ATOM 556 CA GLU A 37 8.881 7.833 9.639 1.00 0.00 C ATOM 557 C GLU A 37 8.130 9.173 9.809 1.00 0.00 C ATOM 558 O GLU A 37 8.325 9.878 10.797 1.00 0.00 O ATOM 559 CB GLU A 37 10.236 8.092 8.955 1.00 0.00 C ATOM 560 CG GLU A 37 11.107 6.833 8.741 1.00 0.00 C ATOM 561 CD GLU A 37 12.170 7.020 7.664 1.00 0.00 C ATOM 562 OE1 GLU A 37 11.888 7.676 6.638 1.00 0.00 O ATOM 563 OE2 GLU A 37 13.272 6.439 7.779 1.00 0.00 O ATOM 0 H GLU A 37 8.662 6.645 7.953 1.00 0.00 H new ATOM 0 HA GLU A 37 8.991 7.417 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.055 8.560 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.798 8.808 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.592 6.570 9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.465 5.996 8.468 1.00 0.00 H new ATOM 568 N GLU A 38 7.321 9.542 8.811 1.00 0.00 N ATOM 569 CA GLU A 38 6.688 10.847 8.628 1.00 0.00 C ATOM 570 C GLU A 38 5.186 10.856 8.981 1.00 0.00 C ATOM 571 O GLU A 38 4.696 11.779 9.631 1.00 0.00 O ATOM 572 CB GLU A 38 6.941 11.230 7.161 1.00 0.00 C ATOM 573 CG GLU A 38 6.176 12.475 6.692 1.00 0.00 C ATOM 574 CD GLU A 38 6.541 12.856 5.262 1.00 0.00 C ATOM 575 OE1 GLU A 38 5.860 12.339 4.350 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.502 13.640 5.112 1.00 0.00 O ATOM 0 H GLU A 38 7.077 8.894 8.063 1.00 0.00 H new ATOM 0 HA GLU A 38 7.118 11.576 9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.009 11.400 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.666 10.388 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.104 12.289 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.396 13.309 7.358 1.00 0.00 H new ATOM 581 N HIS A 39 4.439 9.851 8.516 1.00 0.00 N ATOM 582 CA HIS A 39 2.980 9.786 8.566 1.00 0.00 C ATOM 583 C HIS A 39 2.372 10.094 9.949 1.00 0.00 C ATOM 584 O HIS A 39 2.616 9.347 10.896 1.00 0.00 O ATOM 585 CB HIS A 39 2.575 8.376 8.131 1.00 0.00 C ATOM 586 CG HIS A 39 1.091 8.105 8.130 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.509 6.988 8.670 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.127 8.767 7.414 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.768 6.959 8.254 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.060 8.034 7.493 1.00 0.00 N ATOM 0 H HIS A 39 4.853 9.028 8.077 1.00 0.00 H new ATOM 0 HA HIS A 39 2.592 10.560 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.961 8.198 7.127 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.059 7.656 8.791 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.962 6.304 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.262 9.696 6.880 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.471 6.176 8.497 1.00 0.00 H new ATOM 597 N PRO A 40 1.502 11.115 10.079 1.00 0.00 N ATOM 598 CA PRO A 40 0.863 11.454 11.349 1.00 0.00 C ATOM 599 C PRO A 40 -0.060 10.340 11.865 1.00 0.00 C ATOM 600 O PRO A 40 -0.200 10.164 13.071 1.00 0.00 O ATOM 601 CB PRO A 40 0.128 12.775 11.104 1.00 0.00 C ATOM 602 CG PRO A 40 -0.154 12.742 9.605 1.00 0.00 C ATOM 603 CD PRO A 40 1.065 12.027 9.034 1.00 0.00 C ATOM 0 HA PRO A 40 1.601 11.563 12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.792 12.838 11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.740 13.634 11.380 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.076 12.206 9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.261 13.746 9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.812 11.487 8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.852 12.736 8.777 1.00 0.00 H new ATOM 608 N GLY A 41 -0.648 9.548 10.963 1.00 0.00 N ATOM 609 CA GLY A 41 -1.360 8.319 11.322 1.00 0.00 C ATOM 610 C GLY A 41 -0.467 7.283 12.028 1.00 0.00 C ATOM 611 O GLY A 41 -0.983 6.370 12.668 1.00 0.00 O ATOM 0 H GLY A 41 -0.643 9.742 9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.198 8.569 11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.779 7.873 10.420 1.00 0.00 H new ATOM 615 N GLY A 42 0.861 7.400 11.893 1.00 0.00 N ATOM 616 CA GLY A 42 1.853 6.541 12.523 1.00 0.00 C ATOM 617 C GLY A 42 2.449 5.564 11.514 1.00 0.00 C ATOM 618 O GLY A 42 1.837 5.265 10.485 1.00 0.00 O ATOM 0 H GLY A 42 1.283 8.128 11.317 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.646 7.151 12.956 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.393 5.988 13.342 1.00 0.00 H new ATOM 622 N GLU A 43 3.637 5.044 11.813 1.00 0.00 N ATOM 623 CA GLU A 43 4.196 3.925 11.075 1.00 0.00 C ATOM 624 C GLU A 43 3.410 2.679 11.386 1.00 0.00 C ATOM 625 O GLU A 43 3.036 1.917 10.493 1.00 0.00 O ATOM 626 CB GLU A 43 5.646 3.591 11.464 1.00 0.00 C ATOM 627 CG GLU A 43 6.020 3.176 12.902 1.00 0.00 C ATOM 628 CD GLU A 43 5.651 4.186 13.984 1.00 0.00 C ATOM 629 OE1 GLU A 43 4.429 4.358 14.195 1.00 0.00 O ATOM 630 OE2 GLU A 43 6.587 4.780 14.556 1.00 0.00 O ATOM 0 H GLU A 43 4.231 5.386 12.568 1.00 0.00 H new ATOM 0 HA GLU A 43 4.157 4.222 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.973 2.785 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.249 4.466 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.531 2.229 13.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.095 2.998 12.944 1.00 0.00 H new ATOM 635 N GLU A 44 3.168 2.467 12.680 1.00 0.00 N ATOM 636 CA GLU A 44 2.742 1.165 13.101 1.00 0.00 C ATOM 637 C GLU A 44 1.362 0.875 12.534 1.00 0.00 C ATOM 638 O GLU A 44 1.045 -0.257 12.219 1.00 0.00 O ATOM 639 CB GLU A 44 2.719 0.988 14.626 1.00 0.00 C ATOM 640 CG GLU A 44 4.099 0.945 15.303 1.00 0.00 C ATOM 641 CD GLU A 44 5.011 -0.124 14.721 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.503 -1.202 14.349 1.00 0.00 O ATOM 643 OE2 GLU A 44 6.212 0.161 14.538 1.00 0.00 O ATOM 0 H GLU A 44 3.260 3.163 13.420 1.00 0.00 H new ATOM 0 HA GLU A 44 3.477 0.457 12.718 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.144 1.805 15.062 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.189 0.065 14.860 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.578 1.919 15.202 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.969 0.763 16.370 1.00 0.00 H new ATOM 648 N HIS A 45 0.554 1.921 12.367 1.00 0.00 N ATOM 649 CA HIS A 45 -0.754 1.843 11.750 1.00 0.00 C ATOM 650 C HIS A 45 -0.694 1.623 10.232 1.00 0.00 C ATOM 651 O HIS A 45 -1.592 1.017 9.653 1.00 0.00 O ATOM 652 CB HIS A 45 -1.497 3.121 12.108 1.00 0.00 C ATOM 653 CG HIS A 45 -2.971 3.089 11.777 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.731 1.997 11.390 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.817 4.159 11.882 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.001 2.418 11.265 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.103 3.729 11.542 1.00 0.00 N ATOM 0 H HIS A 45 0.803 2.864 12.666 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.282 0.969 12.131 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.379 3.311 13.175 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.035 3.957 11.582 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.390 1.049 11.230 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.540 5.161 12.176 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.830 1.787 10.980 1.00 0.00 H new ATOM 664 N LEU A 46 0.381 2.064 9.573 1.00 0.00 N ATOM 665 CA LEU A 46 0.599 1.682 8.183 1.00 0.00 C ATOM 666 C LEU A 46 1.028 0.220 8.144 1.00 0.00 C ATOM 667 O LEU A 46 0.603 -0.522 7.269 1.00 0.00 O ATOM 668 CB LEU A 46 1.651 2.574 7.509 1.00 0.00 C ATOM 669 CG LEU A 46 1.171 4.012 7.280 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.357 4.878 6.846 1.00 0.00 C ATOM 671 CD2 LEU A 46 0.089 4.095 6.200 1.00 0.00 C ATOM 0 H LEU A 46 1.097 2.672 9.971 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.330 1.814 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.550 2.592 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.930 2.135 6.551 1.00 0.00 H new ATOM 0 HG LEU A 46 0.745 4.368 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.020 5.901 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.119 4.868 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.777 4.482 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.220 5.133 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.486 3.716 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.770 3.495 6.499 1.00 0.00 H new ATOM 682 N ARG A 47 1.836 -0.207 9.117 1.00 0.00 N ATOM 683 CA ARG A 47 2.376 -1.559 9.180 1.00 0.00 C ATOM 684 C ARG A 47 1.271 -2.577 9.475 1.00 0.00 C ATOM 685 O ARG A 47 1.169 -3.625 8.846 1.00 0.00 O ATOM 686 CB ARG A 47 3.463 -1.556 10.255 1.00 0.00 C ATOM 687 CG ARG A 47 4.360 -2.800 10.184 1.00 0.00 C ATOM 688 CD ARG A 47 5.100 -3.047 11.507 1.00 0.00 C ATOM 689 NE ARG A 47 5.751 -1.840 12.052 1.00 0.00 N ATOM 690 CZ ARG A 47 6.707 -1.089 11.497 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.331 -1.481 10.395 1.00 0.00 N ATOM 692 NH2 ARG A 47 7.065 0.061 12.048 1.00 0.00 N ATOM 0 H ARG A 47 2.135 0.387 9.891 1.00 0.00 H new ATOM 0 HA ARG A 47 2.804 -1.856 8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.077 -0.662 10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.997 -1.503 11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.753 -3.672 9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.085 -2.680 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.394 -3.433 12.242 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.854 -3.819 11.354 1.00 0.00 H new ATOM 0 HE ARG A 47 5.429 -1.540 12.972 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.084 -2.368 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.058 -0.895 9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.610 0.380 12.903 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.796 0.627 11.617 1.00 0.00 H new ATOM 703 N GLU A 48 0.430 -2.205 10.428 1.00 0.00 N ATOM 704 CA GLU A 48 -0.838 -2.838 10.789 1.00 0.00 C ATOM 705 C GLU A 48 -1.698 -3.145 9.554 1.00 0.00 C ATOM 706 O GLU A 48 -2.178 -4.264 9.384 1.00 0.00 O ATOM 707 CB GLU A 48 -1.536 -1.862 11.740 1.00 0.00 C ATOM 708 CG GLU A 48 -2.930 -2.276 12.243 1.00 0.00 C ATOM 709 CD GLU A 48 -4.097 -1.767 11.398 1.00 0.00 C ATOM 710 OE1 GLU A 48 -4.000 -0.646 10.844 1.00 0.00 O ATOM 711 OE2 GLU A 48 -5.105 -2.498 11.332 1.00 0.00 O ATOM 0 H GLU A 48 0.627 -1.394 11.015 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.673 -3.804 11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.892 -1.709 12.606 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.626 -0.900 11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.977 -3.364 12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.054 -1.914 13.263 1.00 0.00 H new ATOM 716 N GLN A 49 -1.852 -2.154 8.672 1.00 0.00 N ATOM 717 CA GLN A 49 -2.565 -2.317 7.408 1.00 0.00 C ATOM 718 C GLN A 49 -1.770 -3.138 6.391 1.00 0.00 C ATOM 719 O GLN A 49 -2.320 -3.920 5.621 1.00 0.00 O ATOM 720 CB GLN A 49 -2.810 -0.929 6.789 1.00 0.00 C ATOM 721 CG GLN A 49 -4.030 -0.169 7.312 1.00 0.00 C ATOM 722 CD GLN A 49 -5.234 -1.066 7.501 1.00 0.00 C ATOM 723 OE1 GLN A 49 -5.762 -1.607 6.541 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.665 -1.262 8.735 1.00 0.00 N ATOM 0 H GLN A 49 -1.484 -1.214 8.817 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.496 -2.840 7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.925 -0.316 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.915 -1.047 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.780 0.303 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.282 0.630 6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.204 -0.796 9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.459 -1.879 8.906 1.00 0.00 H new ATOM 731 N ALA A 50 -0.472 -2.862 6.341 1.00 0.00 N ATOM 732 CA ALA A 50 0.428 -3.298 5.287 1.00 0.00 C ATOM 733 C ALA A 50 0.410 -4.784 4.914 1.00 0.00 C ATOM 734 O ALA A 50 0.108 -5.676 5.705 1.00 0.00 O ATOM 735 CB ALA A 50 1.862 -2.902 5.637 1.00 0.00 C ATOM 0 H ALA A 50 -0.004 -2.309 7.059 1.00 0.00 H new ATOM 0 HA ALA A 50 0.046 -2.787 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.534 -3.231 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.925 -1.819 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.151 -3.374 6.576 1.00 0.00 H new ATOM 741 N GLY A 51 0.802 -5.027 3.663 1.00 0.00 N ATOM 742 CA GLY A 51 0.804 -6.341 3.022 1.00 0.00 C ATOM 743 C GLY A 51 -0.393 -6.523 2.082 1.00 0.00 C ATOM 744 O GLY A 51 -0.556 -7.584 1.480 1.00 0.00 O ATOM 0 H GLY A 51 1.139 -4.287 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.729 -6.469 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.786 -7.118 3.787 1.00 0.00 H new ATOM 748 N GLY A 52 -1.210 -5.472 1.942 1.00 0.00 N ATOM 749 CA GLY A 52 -2.267 -5.339 0.954 1.00 0.00 C ATOM 750 C GLY A 52 -3.447 -4.522 1.485 1.00 0.00 C ATOM 751 O GLY A 52 -3.336 -3.876 2.521 1.00 0.00 O ATOM 0 H GLY A 52 -1.142 -4.655 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.869 -4.861 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.615 -6.329 0.659 1.00 0.00 H new ATOM 755 N ASP A 53 -4.529 -4.506 0.704 1.00 0.00 N ATOM 756 CA ASP A 53 -5.824 -3.899 0.920 1.00 0.00 C ATOM 757 C ASP A 53 -6.077 -3.273 2.292 1.00 0.00 C ATOM 758 O ASP A 53 -6.277 -3.930 3.311 1.00 0.00 O ATOM 759 CB ASP A 53 -6.987 -4.737 0.393 1.00 0.00 C ATOM 760 CG ASP A 53 -8.231 -3.860 0.226 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.084 -2.611 0.291 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.307 -4.445 0.003 1.00 0.00 O ATOM 0 H ASP A 53 -4.504 -4.977 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.774 -3.016 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.718 -5.187 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.198 -5.555 1.082 1.00 0.00 H new ATOM 766 N ALA A 54 -6.079 -1.953 2.228 1.00 0.00 N ATOM 767 CA ALA A 54 -6.284 -0.995 3.289 1.00 0.00 C ATOM 768 C ALA A 54 -7.106 0.144 2.692 1.00 0.00 C ATOM 769 O ALA A 54 -7.055 1.273 3.165 1.00 0.00 O ATOM 770 CB ALA A 54 -4.880 -0.586 3.700 1.00 0.00 C ATOM 0 H ALA A 54 -5.920 -1.482 1.337 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.824 -1.355 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.935 0.145 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.331 -1.463 4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.365 -0.146 2.846 1.00 0.00 H new ATOM 776 N THR A 55 -7.867 -0.157 1.633 1.00 0.00 N ATOM 777 CA THR A 55 -8.692 0.792 0.911 1.00 0.00 C ATOM 778 C THR A 55 -9.811 1.281 1.821 1.00 0.00 C ATOM 779 O THR A 55 -9.965 2.480 2.041 1.00 0.00 O ATOM 780 CB THR A 55 -9.255 0.059 -0.309 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.229 -0.412 -1.154 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.202 0.944 -1.120 1.00 0.00 C ATOM 0 H THR A 55 -7.920 -1.101 1.250 1.00 0.00 H new ATOM 0 HA THR A 55 -8.120 1.663 0.591 1.00 0.00 H new ATOM 0 HB THR A 55 -9.814 -0.791 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.043 -1.352 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.579 0.385 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.038 1.253 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.666 1.826 -1.470 1.00 0.00 H new ATOM 790 N GLU A 56 -10.559 0.336 2.394 1.00 0.00 N ATOM 791 CA GLU A 56 -11.596 0.646 3.365 1.00 0.00 C ATOM 792 C GLU A 56 -10.979 1.397 4.548 1.00 0.00 C ATOM 793 O GLU A 56 -11.407 2.495 4.886 1.00 0.00 O ATOM 794 CB GLU A 56 -12.300 -0.655 3.768 1.00 0.00 C ATOM 795 CG GLU A 56 -13.497 -0.385 4.693 1.00 0.00 C ATOM 796 CD GLU A 56 -14.322 -1.643 4.934 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.980 -2.372 5.888 1.00 0.00 O ATOM 798 OE2 GLU A 56 -15.270 -1.854 4.147 1.00 0.00 O ATOM 0 H GLU A 56 -10.459 -0.660 2.196 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.354 1.305 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.640 -1.178 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.591 -1.313 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.139 0.003 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.130 0.386 4.253 1.00 0.00 H new ATOM 803 N ASN A 57 -9.900 0.850 5.108 1.00 0.00 N ATOM 804 CA ASN A 57 -9.168 1.412 6.241 1.00 0.00 C ATOM 805 C ASN A 57 -8.762 2.878 5.983 1.00 0.00 C ATOM 806 O ASN A 57 -8.984 3.762 6.811 1.00 0.00 O ATOM 807 CB ASN A 57 -7.997 0.459 6.572 1.00 0.00 C ATOM 808 CG ASN A 57 -8.520 -0.975 6.678 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.830 -1.602 5.670 1.00 0.00 O ATOM 810 ND2 ASN A 57 -8.685 -1.494 7.887 1.00 0.00 N ATOM 0 H ASN A 57 -9.499 -0.026 4.773 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.800 1.474 7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.233 0.522 5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.526 0.756 7.509 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.076 -2.430 7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.421 -0.957 8.713 1.00 0.00 H new ATOM 816 N PHE A 58 -8.213 3.141 4.795 1.00 0.00 N ATOM 817 CA PHE A 58 -7.782 4.454 4.322 1.00 0.00 C ATOM 818 C PHE A 58 -8.917 5.479 4.202 1.00 0.00 C ATOM 819 O PHE A 58 -8.657 6.656 4.429 1.00 0.00 O ATOM 820 CB PHE A 58 -7.070 4.255 2.981 1.00 0.00 C ATOM 821 CG PHE A 58 -6.601 5.503 2.257 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.528 6.250 2.772 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.097 5.792 0.972 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.948 7.278 2.006 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.472 6.770 0.178 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.407 7.525 0.700 1.00 0.00 C ATOM 0 H PHE A 58 -8.050 2.407 4.105 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.109 4.880 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.203 3.616 3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.743 3.712 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.147 6.034 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.959 5.262 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.151 7.877 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.810 6.941 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.942 8.293 0.099 1.00 0.00 H new ATOM 835 N GLU A 59 -10.135 5.039 3.853 1.00 0.00 N ATOM 836 CA GLU A 59 -11.342 5.794 3.533 1.00 0.00 C ATOM 837 C GLU A 59 -12.254 6.005 4.758 1.00 0.00 C ATOM 838 O GLU A 59 -12.809 7.084 4.941 1.00 0.00 O ATOM 839 CB GLU A 59 -12.079 5.047 2.408 1.00 0.00 C ATOM 840 CG GLU A 59 -12.919 6.004 1.541 1.00 0.00 C ATOM 841 CD GLU A 59 -12.065 6.972 0.731 1.00 0.00 C ATOM 842 OE1 GLU A 59 -10.932 6.594 0.354 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.523 8.116 0.500 1.00 0.00 O ATOM 0 H GLU A 59 -10.310 4.037 3.782 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.061 6.795 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.354 4.529 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.727 4.285 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.541 5.420 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.593 6.571 2.183 1.00 0.00 H new ATOM 848 N ASP A 60 -12.389 4.980 5.610 1.00 0.00 N ATOM 849 CA ASP A 60 -13.025 5.042 6.925 1.00 0.00 C ATOM 850 C ASP A 60 -12.361 6.149 7.754 1.00 0.00 C ATOM 851 O ASP A 60 -13.020 7.080 8.214 1.00 0.00 O ATOM 852 CB ASP A 60 -12.905 3.658 7.575 1.00 0.00 C ATOM 853 CG ASP A 60 -13.444 3.662 8.995 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.678 3.542 9.136 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.604 3.801 9.909 1.00 0.00 O ATOM 0 H ASP A 60 -12.042 4.047 5.389 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.084 5.292 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.451 2.926 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.860 3.347 7.582 1.00 0.00 H new ATOM 859 N VAL A 61 -11.030 6.075 7.879 1.00 0.00 N ATOM 860 CA VAL A 61 -10.238 7.197 8.371 1.00 0.00 C ATOM 861 C VAL A 61 -10.451 8.362 7.394 1.00 0.00 C ATOM 862 O VAL A 61 -10.893 9.444 7.772 1.00 0.00 O ATOM 863 CB VAL A 61 -8.756 6.785 8.435 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.856 7.993 8.715 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.532 5.727 9.523 1.00 0.00 C ATOM 0 H VAL A 61 -10.483 5.247 7.645 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.541 7.496 9.375 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.494 6.366 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.816 7.670 8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.978 8.729 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.134 8.440 9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.478 5.451 9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.826 6.133 10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.133 4.845 9.302 1.00 0.00 H new ATOM 875 N GLY A 62 -10.147 8.092 6.120 1.00 0.00 N ATOM 876 CA GLY A 62 -10.344 8.977 4.986 1.00 0.00 C ATOM 877 C GLY A 62 -9.328 10.127 4.978 1.00 0.00 C ATOM 878 O GLY A 62 -8.873 10.592 6.019 1.00 0.00 O ATOM 0 H GLY A 62 -9.735 7.200 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.256 8.408 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.354 9.385 5.014 1.00 0.00 H new ATOM 882 N HIS A 63 -8.898 10.520 3.776 1.00 0.00 N ATOM 883 CA HIS A 63 -7.715 11.356 3.592 1.00 0.00 C ATOM 884 CB HIS A 63 -6.606 10.410 3.125 1.00 0.00 C ATOM 885 CG HIS A 63 -6.014 9.582 4.236 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.562 8.484 4.864 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.764 9.763 4.743 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.641 8.017 5.729 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.513 8.752 5.672 1.00 0.00 N ATOM 0 H HIS A 63 -9.363 10.266 2.904 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.006 9.744 2.360 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.814 10.995 2.657 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.492 8.097 4.704 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.082 10.555 4.472 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.787 7.168 6.380 1.00 0.00 H new ATOM 896 N SER A 64 -7.148 13.601 2.797 1.00 0.00 N ATOM 897 CA SER A 64 -7.218 14.793 1.954 1.00 0.00 C ATOM 898 C SER A 64 -6.808 14.526 0.496 1.00 0.00 C ATOM 899 O SER A 64 -6.049 13.604 0.194 1.00 0.00 O ATOM 900 CB SER A 64 -6.331 15.892 2.553 1.00 0.00 C ATOM 901 OG SER A 64 -6.858 16.303 3.797 1.00 0.00 O ATOM 0 HA SER A 64 -8.260 15.111 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.314 15.522 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.277 16.741 1.872 1.00 0.00 H new ATOM 0 HG SER A 64 -6.178 16.189 4.494 1.00 0.00 H new ATOM 906 N THR A 65 -7.272 15.384 -0.419 1.00 0.00 N ATOM 907 CA THR A 65 -6.805 15.423 -1.809 1.00 0.00 C ATOM 908 C THR A 65 -5.278 15.423 -1.852 1.00 0.00 C ATOM 909 O THR A 65 -4.683 14.567 -2.494 1.00 0.00 O ATOM 910 CB THR A 65 -7.336 16.686 -2.493 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.087 17.793 -1.649 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.843 16.599 -2.740 1.00 0.00 C ATOM 0 H THR A 65 -7.990 16.078 -0.213 1.00 0.00 H new ATOM 0 HA THR A 65 -7.175 14.541 -2.332 1.00 0.00 H new ATOM 0 HB THR A 65 -6.832 16.794 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.420 18.610 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.185 17.512 -3.227 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.058 15.744 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.361 16.479 -1.789 1.00 0.00 H new ATOM 920 N ASP A 66 -4.661 16.345 -1.108 1.00 0.00 N ATOM 921 CA ASP A 66 -3.233 16.402 -0.814 1.00 0.00 C ATOM 922 C ASP A 66 -2.591 15.009 -0.643 1.00 0.00 C ATOM 923 O ASP A 66 -1.617 14.672 -1.310 1.00 0.00 O ATOM 924 CB ASP A 66 -3.085 17.248 0.455 1.00 0.00 C ATOM 925 CG ASP A 66 -1.632 17.356 0.884 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.200 16.438 1.611 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.992 18.342 0.464 1.00 0.00 O ATOM 0 H ASP A 66 -5.175 17.111 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.701 16.846 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.489 18.245 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.671 16.805 1.260 1.00 0.00 H new ATOM 931 N ALA A 67 -3.179 14.174 0.215 1.00 0.00 N ATOM 932 CA ALA A 67 -2.688 12.835 0.516 1.00 0.00 C ATOM 933 C ALA A 67 -2.879 11.881 -0.671 1.00 0.00 C ATOM 934 O ALA A 67 -1.977 11.126 -1.030 1.00 0.00 O ATOM 935 CB ALA A 67 -3.393 12.325 1.775 1.00 0.00 C ATOM 0 H ALA A 67 -4.026 14.417 0.728 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.614 12.877 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.035 11.323 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.178 12.994 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.469 12.294 1.602 1.00 0.00 H new ATOM 941 N ARG A 68 -4.044 11.916 -1.320 1.00 0.00 N ATOM 942 CA ARG A 68 -4.269 11.150 -2.548 1.00 0.00 C ATOM 943 C ARG A 68 -3.244 11.515 -3.636 1.00 0.00 C ATOM 944 O ARG A 68 -2.631 10.630 -4.238 1.00 0.00 O ATOM 945 CB ARG A 68 -5.718 11.356 -3.025 1.00 0.00 C ATOM 946 CG ARG A 68 -6.724 10.390 -2.378 1.00 0.00 C ATOM 947 CD ARG A 68 -7.064 10.707 -0.916 1.00 0.00 C ATOM 948 NE ARG A 68 -8.079 9.749 -0.425 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.401 9.951 -0.354 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.925 11.163 -0.274 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.232 8.930 -0.348 1.00 0.00 N ATOM 0 H ARG A 68 -4.847 12.467 -1.016 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.125 10.090 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.020 12.381 -2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.756 11.235 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.644 10.400 -2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.323 9.378 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.166 10.647 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.440 11.726 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.737 8.842 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.317 11.982 -0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.937 11.279 -0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.870 7.978 -0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.238 9.091 -0.294 1.00 0.00 H new ATOM 962 N GLU A 69 -3.017 12.814 -3.839 1.00 0.00 N ATOM 963 CA GLU A 69 -2.022 13.356 -4.750 1.00 0.00 C ATOM 964 C GLU A 69 -0.616 12.906 -4.355 1.00 0.00 C ATOM 965 O GLU A 69 0.144 12.419 -5.189 1.00 0.00 O ATOM 966 CB GLU A 69 -2.145 14.885 -4.764 1.00 0.00 C ATOM 967 CG GLU A 69 -3.342 15.344 -5.611 1.00 0.00 C ATOM 968 CD GLU A 69 -3.183 14.979 -7.079 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.080 15.192 -7.632 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.101 14.355 -7.656 1.00 0.00 O ATOM 0 H GLU A 69 -3.544 13.540 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.201 12.977 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.258 15.252 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.228 15.322 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.254 14.891 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.458 16.424 -5.518 1.00 0.00 H new ATOM 975 N LEU A 70 -0.293 13.004 -3.063 1.00 0.00 N ATOM 976 CA LEU A 70 0.951 12.482 -2.522 1.00 0.00 C ATOM 977 C LEU A 70 1.134 11.030 -2.933 1.00 0.00 C ATOM 978 O LEU A 70 2.190 10.619 -3.402 1.00 0.00 O ATOM 979 CB LEU A 70 1.012 12.555 -0.979 1.00 0.00 C ATOM 980 CG LEU A 70 2.342 12.026 -0.413 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.562 12.467 -1.207 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.593 12.496 1.016 1.00 0.00 C ATOM 0 H LEU A 70 -0.891 13.449 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 70 1.745 13.108 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.872 13.589 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.188 11.979 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 70 2.224 10.944 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.462 12.056 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.479 12.106 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.621 13.555 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.543 12.096 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.627 13.585 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.789 12.143 1.662 1.00 0.00 H new ATOM 993 N SER A 71 0.079 10.234 -2.790 1.00 0.00 N ATOM 994 CA SER A 71 0.214 8.804 -2.863 1.00 0.00 C ATOM 995 C SER A 71 0.756 8.304 -4.213 1.00 0.00 C ATOM 996 O SER A 71 1.362 7.238 -4.299 1.00 0.00 O ATOM 997 CB SER A 71 -1.133 8.187 -2.460 1.00 0.00 C ATOM 998 OG SER A 71 -1.963 7.975 -3.590 1.00 0.00 O ATOM 0 H SER A 71 -0.872 10.565 -2.624 1.00 0.00 H new ATOM 0 HA SER A 71 0.981 8.472 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.963 7.240 -1.949 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.639 8.844 -1.753 1.00 0.00 H new ATOM 0 HG SER A 71 -2.266 8.839 -3.940 1.00 0.00 H new ATOM 1003 N LYS A 72 0.640 9.124 -5.258 1.00 0.00 N ATOM 1004 CA LYS A 72 1.306 8.886 -6.541 1.00 0.00 C ATOM 1005 C LYS A 72 2.803 8.585 -6.351 1.00 0.00 C ATOM 1006 O LYS A 72 3.338 7.660 -6.953 1.00 0.00 O ATOM 1007 CB LYS A 72 1.110 10.096 -7.464 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.377 10.420 -7.603 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.608 11.633 -8.512 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.116 11.874 -8.659 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.409 13.207 -9.223 1.00 0.00 N ATOM 0 H LYS A 72 0.079 9.976 -5.239 1.00 0.00 H new ATOM 0 HA LYS A 72 0.853 8.009 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.641 10.959 -7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.537 9.887 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.902 9.555 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.801 10.617 -6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.126 12.515 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.158 11.461 -9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.545 11.106 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.595 11.779 -7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.379 13.485 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.738 13.902 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.317 13.174 -10.258 1.00 0.00 H new ATOM 1021 N THR A 73 3.458 9.338 -5.460 1.00 0.00 N ATOM 1022 CA THR A 73 4.876 9.139 -5.110 1.00 0.00 C ATOM 1023 C THR A 73 5.177 7.913 -4.247 1.00 0.00 C ATOM 1024 O THR A 73 6.341 7.593 -4.011 1.00 0.00 O ATOM 1025 CB THR A 73 5.500 10.388 -4.458 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.869 10.410 -4.798 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.446 10.409 -2.920 1.00 0.00 C ATOM 0 H THR A 73 3.019 10.109 -4.956 1.00 0.00 H new ATOM 0 HA THR A 73 5.341 8.953 -6.078 1.00 0.00 H new ATOM 0 HB THR A 73 4.923 11.238 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.257 9.522 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.908 11.325 -2.552 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.407 10.370 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.984 9.547 -2.525 1.00 0.00 H new ATOM 1035 N PHE A 74 4.132 7.270 -3.739 1.00 0.00 N ATOM 1036 CA PHE A 74 4.163 6.163 -2.793 1.00 0.00 C ATOM 1037 C PHE A 74 3.768 4.843 -3.453 1.00 0.00 C ATOM 1038 O PHE A 74 4.030 3.764 -2.922 1.00 0.00 O ATOM 1039 CB PHE A 74 3.178 6.532 -1.696 1.00 0.00 C ATOM 1040 CG PHE A 74 3.621 7.536 -0.658 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.961 7.963 -0.524 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.666 7.936 0.287 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.316 8.849 0.507 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.014 8.841 1.293 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.318 9.341 1.360 1.00 0.00 C ATOM 0 H PHE A 74 3.178 7.526 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 74 5.170 6.012 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.277 6.918 -2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.897 5.616 -1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.712 7.608 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.661 7.544 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.345 9.147 0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.277 9.154 2.018 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.559 10.113 2.075 1.00 0.00 H new ATOM 1054 N ILE A 75 3.102 4.936 -4.599 1.00 0.00 N ATOM 1055 CA ILE A 75 2.700 3.794 -5.390 1.00 0.00 C ATOM 1056 C ILE A 75 3.879 3.125 -6.087 1.00 0.00 C ATOM 1057 O ILE A 75 4.895 3.742 -6.397 1.00 0.00 O ATOM 1058 CB ILE A 75 1.693 4.293 -6.450 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.324 4.309 -5.781 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.645 3.525 -7.780 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -0.788 4.711 -6.729 1.00 0.00 C ATOM 0 H ILE A 75 2.824 5.829 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 75 2.258 3.048 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 75 2.031 5.280 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.111 3.320 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.344 5.000 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.899 3.976 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.622 3.568 -8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.380 2.485 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.739 4.705 -6.197 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.594 5.712 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.831 4.006 -7.559 1.00 0.00 H new ATOM 1072 N ILE A 76 3.658 1.853 -6.399 1.00 0.00 N ATOM 1073 CA ILE A 76 4.486 1.048 -7.286 1.00 0.00 C ATOM 1074 C ILE A 76 3.679 0.508 -8.486 1.00 0.00 C ATOM 1075 O ILE A 76 4.237 0.309 -9.564 1.00 0.00 O ATOM 1076 CB ILE A 76 5.184 -0.057 -6.487 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.136 -0.962 -5.832 1.00 0.00 C ATOM 1078 CG2 ILE A 76 6.117 0.558 -5.432 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.817 -2.076 -5.035 1.00 0.00 C ATOM 0 H ILE A 76 2.864 1.334 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 76 5.262 1.681 -7.717 1.00 0.00 H new ATOM 0 HB ILE A 76 5.791 -0.661 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.498 -0.373 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.491 -1.395 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.607 -0.238 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.871 1.171 -5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.536 1.178 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.059 -2.710 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.436 -2.675 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.442 -1.637 -4.258 1.00 0.00 H new ATOM 1090 N GLY A 77 2.362 0.293 -8.336 1.00 0.00 N ATOM 1091 CA GLY A 77 1.476 -0.008 -9.459 1.00 0.00 C ATOM 1092 C GLY A 77 0.100 -0.513 -9.015 1.00 0.00 C ATOM 1093 O GLY A 77 -0.619 0.219 -8.343 1.00 0.00 O ATOM 0 H GLY A 77 1.888 0.324 -7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.350 0.889 -10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.945 -0.759 -10.094 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.264 -1.750 -9.380 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.566 -2.366 -9.096 1.00 0.00 C ATOM 1099 C GLU A 78 -1.425 -3.778 -8.516 1.00 0.00 C ATOM 1100 O GLU A 78 -0.422 -4.460 -8.728 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.393 -2.453 -10.384 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.818 -1.094 -10.983 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.329 -0.867 -11.019 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -5.050 -1.817 -11.397 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.755 0.261 -10.685 1.00 0.00 O ATOM 0 H GLU A 78 0.360 -2.369 -9.898 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.062 -1.736 -8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.816 -2.998 -11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.289 -3.040 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.356 -0.295 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.427 -1.019 -11.998 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.494 -4.268 -7.886 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.562 -5.598 -7.271 1.00 0.00 C ATOM 1112 C LEU A 79 -2.637 -6.778 -8.212 1.00 0.00 C ATOM 1113 O LEU A 79 -2.974 -7.863 -7.774 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.653 -5.612 -6.186 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.953 -6.412 -6.472 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.982 -7.580 -5.494 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.182 -5.548 -6.226 1.00 0.00 C ATOM 0 H LEU A 79 -3.360 -3.738 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.587 -5.758 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.211 -6.009 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.934 -4.579 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.964 -6.744 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.882 -8.171 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.103 -8.206 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.981 -7.199 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.082 -6.128 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.193 -5.218 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.153 -4.678 -6.882 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.285 -6.568 -9.477 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.453 -7.521 -10.558 1.00 0.00 C ATOM 1130 C HIS A 80 -3.922 -7.770 -10.852 1.00 0.00 C ATOM 1131 O HIS A 80 -4.788 -7.595 -10.000 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.691 -8.789 -10.212 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.492 -9.796 -11.285 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.947 -11.082 -11.340 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.586 -9.627 -12.281 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.454 -11.617 -12.473 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.605 -10.768 -13.081 1.00 0.00 N ATOM 0 H HIS A 80 -1.859 -5.694 -9.784 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.038 -7.116 -11.481 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.708 -8.498 -9.841 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.211 -9.277 -9.388 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.544 -11.547 -10.656 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.040 -8.760 -12.428 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.707 -12.599 -12.845 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.274 -8.081 -12.097 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.620 -8.514 -12.380 1.00 0.00 C ATOM 1146 C PRO A 81 -5.917 -9.931 -11.929 1.00 0.00 C ATOM 1147 O PRO A 81 -7.094 -10.231 -11.751 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.749 -8.424 -13.885 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.324 -8.546 -14.416 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.508 -7.880 -13.319 1.00 0.00 C ATOM 0 HA PRO A 81 -6.329 -7.890 -11.836 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.384 -9.220 -14.274 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.202 -7.479 -14.186 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.033 -9.586 -14.564 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.203 -8.042 -15.375 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.517 -8.326 -13.240 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.365 -6.819 -13.524 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.918 -10.788 -11.692 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.285 -12.214 -11.454 1.00 0.00 C ATOM 1157 C ASP A 82 -5.480 -12.456 -9.948 1.00 0.00 C ATOM 1158 O ASP A 82 -5.188 -13.512 -9.390 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.267 -13.145 -12.131 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.792 -14.548 -12.416 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.990 -14.667 -12.748 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.954 -15.472 -12.369 1.00 0.00 O ATOM 0 H ASP A 82 -3.924 -10.561 -11.658 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.242 -12.450 -11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.946 -12.692 -13.069 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.384 -13.222 -11.496 1.00 0.00 H new ATOM 1166 N ASP A 83 -6.020 -11.408 -9.329 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.941 -11.119 -7.933 1.00 0.00 C ATOM 1168 C ASP A 83 -7.160 -10.338 -7.378 1.00 0.00 C ATOM 1169 O ASP A 83 -7.359 -10.253 -6.169 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.695 -10.228 -8.051 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.412 -11.008 -7.824 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -3.036 -11.195 -6.651 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.826 -11.425 -8.851 1.00 0.00 O ATOM 0 H ASP A 83 -6.555 -10.704 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.911 -11.974 -7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.670 -9.769 -9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.759 -9.417 -7.325 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.926 -9.728 -8.287 1.00 0.00 N ATOM 1178 CA ARG A 84 -9.004 -8.762 -8.108 1.00 0.00 C ATOM 1179 C ARG A 84 -10.261 -9.336 -7.434 1.00 0.00 C ATOM 1180 O ARG A 84 -10.839 -8.599 -6.604 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.354 -8.275 -9.524 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.205 -7.599 -10.244 1.00 0.00 C ATOM 1183 CD ARG A 84 -7.959 -6.141 -9.870 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.679 -5.758 -10.482 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.262 -4.555 -10.878 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.973 -3.456 -10.698 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.090 -4.419 -11.474 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.662 -10.462 -7.807 1.00 0.00 O ATOM 0 H ARG A 84 -7.786 -9.925 -9.278 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.666 -7.969 -7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.691 -9.125 -10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.190 -7.579 -9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.294 -8.164 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.389 -7.654 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.767 -5.507 -10.234 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.922 -6.020 -8.787 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.016 -6.520 -10.624 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.882 -3.506 -10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.612 -2.557 -11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.501 -5.236 -11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.775 -3.497 -11.775 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.769 8.465 6.558 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.658 11.071 8.668 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.304 10.770 4.382 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.249 5.932 4.265 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.202 6.199 8.785 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.445 10.527 6.572 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.945 11.372 7.512 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.701 12.718 7.063 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.938 12.646 5.922 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.847 11.248 5.570 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.437 13.827 5.125 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.413 13.943 7.587 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.862 14.013 7.130 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.005 14.327 5.643 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.326 13.401 4.865 1.00 0.00 O HETATM 1215 O2A HEM A 201 -4.813 15.513 5.304 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.890 8.361 4.713 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.344 9.424 4.021 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.841 8.919 2.766 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.073 7.567 2.782 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.790 7.215 3.974 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.311 9.741 1.621 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.412 6.553 1.881 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.894 6.374 0.640 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.183 6.444 6.511 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.903 5.614 5.451 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.433 4.309 5.763 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.877 4.389 7.060 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.775 5.744 7.528 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.530 3.118 4.836 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.453 3.247 7.859 1.00 0.00 C HETATM 1231 CBC HEM A 201 -5.787 3.050 7.855 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.710 8.605 8.437 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.187 7.550 9.160 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.760 8.086 10.379 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.607 9.457 10.336 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.952 9.774 9.089 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.535 7.318 11.422 1.00 0.00 C HETATM 1238 CAD HEM A 201 -5.045 10.492 11.357 1.00 0.00 C HETATM 1239 CBD HEM A 201 -5.216 10.055 12.811 1.00 0.00 C HETATM 1240 CGD HEM A 201 -5.391 11.251 13.740 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.440 11.293 14.418 1.00 0.00 O HETATM 1242 O2D HEM A 201 -4.478 12.104 13.747 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.567 13.529 4.541 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.159 14.633 5.804 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.223 14.173 4.454 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.444 9.169 1.082 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.135 10.658 2.007 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.128 9.992 0.945 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.653 3.465 3.810 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.387 2.506 5.118 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.620 2.523 4.911 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -6.060 6.489 10.948 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -6.258 7.980 11.899 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -4.848 6.930 12.174 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.430 5.646 -0.025 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.749 6.957 0.298 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -6.218 2.229 8.428 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -6.434 3.712 7.279 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.383 14.776 7.708 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.351 13.062 7.343 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.886 14.837 7.253 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.378 13.941 8.676 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -4.346 9.476 13.122 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -6.082 9.399 12.895 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.996 10.907 11.022 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.318 11.304 11.338 1.00 0.00 H new HETATM 0 HHA HEM A 201 -4.005 11.892 9.277 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.831 11.471 3.711 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.090 5.150 3.538 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.560 5.472 9.499 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.443 5.975 2.232 1.00 0.00 H new HETATM 0 HAC HEM A 201 -3.800 2.589 8.432 1.00 0.00 H new