USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 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 45 HIS : no HE2:sc= 0.327 K(o=-0.86,f=-3.3!) USER MOD Set 1.2: A 201 HEM CMD :methyl 150:sc= -1.19 (180deg=-0.877) USER MOD Set 2.1: A 71 SER OG : rot 50:sc= 0.41 USER MOD Set 2.2: A 201 HEM CMB :methyl 150:sc= -2.23 (180deg=-2.23) USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.773 K(o=1.7,f=-6.1!) USER MOD Set 3.2: A 20 SER OG : rot 148:sc= 0.934 USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= 0.937 (180deg=-0.222) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 26:sc= 1.01 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00967 USER MOD Single : A 13 GLN : amide:sc= 0.343 K(o=0.34,f=-0.16) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.634) USER MOD Single : A 16 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.1) USER MOD Single : A 17 ASN : amide:sc= -0.191! C(o=-0.19!,f=-3.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 18:sc= 0.39 USER MOD Single : A 26 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-5.1!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0.995) USER MOD Single : A 30 TYR OH : rot 17:sc= 0.76 USER MOD Single : A 33 THR OG1 : rot 105:sc= 0.986 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0.529 (180deg=-0.0676) USER MOD Single : A 49 GLN : amide:sc= -2.03 K(o=-2,f=-4.9!) USER MOD Single : A 55 THR OG1 : rot 31:sc= 1.28 USER MOD Single : A 57 ASN : amide:sc= -0.801 X(o=-0.8,f=-1.2) USER MOD Single : A 64 SER OG : rot -129:sc= 2.09 USER MOD Single : A 65 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 0.806 (180deg=-1.15!) USER MOD Single : A 73 THR OG1 : rot -41:sc= 0.228 USER MOD Single : A 80 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-7.3!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0385 (180deg=-0.511) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.0899 (180deg=-0.344) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 5.437 1.059 -18.350 1.00 0.00 N ATOM 2 CA ALA A 3 4.107 0.516 -17.990 1.00 0.00 C ATOM 3 C ALA A 3 4.146 -0.099 -16.586 1.00 0.00 C ATOM 4 O ALA A 3 5.239 -0.261 -16.048 1.00 0.00 O ATOM 5 CB ALA A 3 3.652 -0.512 -19.030 1.00 0.00 C ATOM 0 HA ALA A 3 3.383 1.331 -17.983 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.673 -0.902 -18.752 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.588 -0.036 -20.008 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.371 -1.331 -19.071 1.00 0.00 H new ATOM 13 N VAL A 4 2.994 -0.427 -15.994 1.00 0.00 N ATOM 14 CA VAL A 4 2.949 -1.077 -14.684 1.00 0.00 C ATOM 15 C VAL A 4 3.392 -2.542 -14.774 1.00 0.00 C ATOM 16 O VAL A 4 3.198 -3.182 -15.806 1.00 0.00 O ATOM 17 CB VAL A 4 1.536 -0.948 -14.088 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.537 -1.967 -14.640 1.00 0.00 C ATOM 19 CG2 VAL A 4 1.553 -0.998 -12.564 1.00 0.00 C ATOM 0 H VAL A 4 2.077 -0.251 -16.405 1.00 0.00 H new ATOM 0 HA VAL A 4 3.652 -0.575 -14.019 1.00 0.00 H new ATOM 0 HB VAL A 4 1.189 0.036 -14.404 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.436 -1.813 -14.173 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.446 -1.839 -15.719 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.888 -2.976 -14.423 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.535 -0.903 -12.185 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.975 -1.948 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.161 -0.179 -12.180 1.00 0.00 H new ATOM 29 N LYS A 5 3.961 -3.077 -13.689 1.00 0.00 N ATOM 30 CA LYS A 5 4.356 -4.488 -13.620 1.00 0.00 C ATOM 31 C LYS A 5 3.292 -5.383 -12.985 1.00 0.00 C ATOM 32 O LYS A 5 3.305 -6.581 -13.249 1.00 0.00 O ATOM 33 CB LYS A 5 5.753 -4.635 -12.986 1.00 0.00 C ATOM 34 CG LYS A 5 5.746 -4.568 -11.453 1.00 0.00 C ATOM 35 CD LYS A 5 5.577 -5.951 -10.792 1.00 0.00 C ATOM 36 CE LYS A 5 6.846 -6.506 -10.130 1.00 0.00 C ATOM 37 NZ LYS A 5 6.562 -7.779 -9.425 1.00 0.00 N ATOM 0 H LYS A 5 4.160 -2.549 -12.839 1.00 0.00 H new ATOM 0 HA LYS A 5 4.433 -4.857 -14.643 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.185 -5.586 -13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.402 -3.849 -13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.678 -4.118 -11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.937 -3.914 -11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.791 -5.885 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.238 -6.660 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.614 -6.668 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.242 -5.776 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.349 -8.003 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.684 -7.683 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.454 -8.544 -10.121 1.00 0.00 H new ATOM 47 N TYR A 6 2.393 -4.794 -12.181 1.00 0.00 N ATOM 48 CA TYR A 6 1.374 -5.484 -11.378 1.00 0.00 C ATOM 49 C TYR A 6 1.983 -6.411 -10.322 1.00 0.00 C ATOM 50 O TYR A 6 2.914 -7.162 -10.592 1.00 0.00 O ATOM 51 CB TYR A 6 0.426 -6.303 -12.255 1.00 0.00 C ATOM 52 CG TYR A 6 -0.309 -5.568 -13.364 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.566 -4.986 -13.129 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.208 -5.587 -14.675 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.282 -4.392 -14.182 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.519 -5.011 -15.733 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.760 -4.411 -15.483 1.00 0.00 C ATOM 58 OH TYR A 6 -2.461 -3.844 -16.501 1.00 0.00 O ATOM 0 H TYR A 6 2.356 -3.781 -12.069 1.00 0.00 H new ATOM 0 HA TYR A 6 0.819 -4.694 -10.871 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.000 -7.111 -12.709 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.318 -6.766 -11.607 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.984 -4.995 -12.133 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.166 -6.046 -14.868 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.234 -3.921 -13.989 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.121 -5.031 -16.737 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.960 -3.942 -17.337 1.00 0.00 H new ATOM 67 N TYR A 7 1.452 -6.370 -9.103 1.00 0.00 N ATOM 68 CA TYR A 7 2.050 -7.082 -7.988 1.00 0.00 C ATOM 69 C TYR A 7 0.997 -7.997 -7.396 1.00 0.00 C ATOM 70 O TYR A 7 0.074 -7.551 -6.726 1.00 0.00 O ATOM 71 CB TYR A 7 2.645 -6.118 -6.963 1.00 0.00 C ATOM 72 CG TYR A 7 3.516 -5.024 -7.532 1.00 0.00 C ATOM 73 CD1 TYR A 7 2.948 -3.906 -8.163 1.00 0.00 C ATOM 74 CD2 TYR A 7 4.908 -5.139 -7.456 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.777 -2.973 -8.796 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.726 -4.089 -7.885 1.00 0.00 C ATOM 77 CZ TYR A 7 5.160 -2.998 -8.566 1.00 0.00 C ATOM 78 OH TYR A 7 5.941 -2.041 -9.136 1.00 0.00 O ATOM 0 H TYR A 7 0.607 -5.849 -8.867 1.00 0.00 H new ATOM 0 HA TYR A 7 2.889 -7.687 -8.331 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.829 -5.657 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.234 -6.693 -6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.877 -3.767 -8.160 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.353 -6.042 -7.065 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.352 -2.235 -9.460 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.789 -4.117 -7.694 1.00 0.00 H new ATOM 0 HH TYR A 7 5.407 -1.235 -9.297 1.00 0.00 H new ATOM 87 N THR A 8 1.133 -9.285 -7.680 1.00 0.00 N ATOM 88 CA THR A 8 0.266 -10.303 -7.109 1.00 0.00 C ATOM 89 C THR A 8 0.374 -10.211 -5.602 1.00 0.00 C ATOM 90 O THR A 8 1.455 -10.002 -5.055 1.00 0.00 O ATOM 91 CB THR A 8 0.684 -11.688 -7.611 1.00 0.00 C ATOM 92 OG1 THR A 8 2.087 -11.819 -7.506 1.00 0.00 O ATOM 93 CG2 THR A 8 0.290 -11.866 -9.077 1.00 0.00 C ATOM 0 H THR A 8 1.846 -9.652 -8.311 1.00 0.00 H new ATOM 0 HA THR A 8 -0.769 -10.145 -7.412 1.00 0.00 H new ATOM 0 HB THR A 8 0.182 -12.443 -7.006 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.358 -12.705 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.594 -12.856 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.790 -11.764 -9.178 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.785 -11.106 -9.682 1.00 0.00 H new ATOM 101 N LEU A 9 -0.752 -10.364 -4.931 1.00 0.00 N ATOM 102 CA LEU A 9 -0.893 -10.310 -3.493 1.00 0.00 C ATOM 103 C LEU A 9 0.103 -11.237 -2.794 1.00 0.00 C ATOM 104 O LEU A 9 0.544 -10.952 -1.697 1.00 0.00 O ATOM 105 CB LEU A 9 -2.323 -10.696 -3.210 1.00 0.00 C ATOM 106 CG LEU A 9 -2.971 -10.040 -1.991 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.457 -10.412 -1.937 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.314 -10.375 -0.655 1.00 0.00 C ATOM 0 H LEU A 9 -1.639 -10.539 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.672 -9.315 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.923 -10.455 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.367 -11.777 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.833 -8.967 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.918 -9.944 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.953 -10.063 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.559 -11.495 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.843 -9.864 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.355 -11.452 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.274 -10.049 -0.669 1.00 0.00 H new ATOM 119 N GLU A 10 0.492 -12.339 -3.430 1.00 0.00 N ATOM 120 CA GLU A 10 1.632 -13.148 -2.989 1.00 0.00 C ATOM 121 C GLU A 10 2.880 -12.267 -2.744 1.00 0.00 C ATOM 122 O GLU A 10 3.523 -12.342 -1.697 1.00 0.00 O ATOM 123 CB GLU A 10 1.914 -14.261 -4.021 1.00 0.00 C ATOM 124 CG GLU A 10 3.397 -14.668 -3.954 1.00 0.00 C ATOM 125 CD GLU A 10 3.743 -16.073 -4.418 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.921 -16.695 -5.119 1.00 0.00 O ATOM 127 OE2 GLU A 10 4.869 -16.472 -4.040 1.00 0.00 O ATOM 0 H GLU A 10 0.029 -12.698 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 10 1.384 -13.618 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.281 -15.125 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.668 -13.911 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.971 -13.961 -4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.733 -14.558 -2.923 1.00 0.00 H new ATOM 132 N GLU A 11 3.226 -11.436 -3.727 1.00 0.00 N ATOM 133 CA GLU A 11 4.253 -10.405 -3.631 1.00 0.00 C ATOM 134 C GLU A 11 3.886 -9.437 -2.521 1.00 0.00 C ATOM 135 O GLU A 11 4.619 -9.310 -1.549 1.00 0.00 O ATOM 136 CB GLU A 11 4.470 -9.713 -5.005 1.00 0.00 C ATOM 137 CG GLU A 11 5.942 -9.365 -5.289 1.00 0.00 C ATOM 138 CD GLU A 11 6.152 -8.779 -6.685 1.00 0.00 C ATOM 139 OE1 GLU A 11 5.156 -8.500 -7.390 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.318 -8.593 -7.098 1.00 0.00 O ATOM 0 H GLU A 11 2.781 -11.465 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 11 5.212 -10.853 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.100 -10.367 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.875 -8.800 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.292 -8.651 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.550 -10.263 -5.181 1.00 0.00 H new ATOM 145 N ILE A 12 2.708 -8.824 -2.605 1.00 0.00 N ATOM 146 CA ILE A 12 2.278 -7.860 -1.595 1.00 0.00 C ATOM 147 C ILE A 12 2.413 -8.394 -0.158 1.00 0.00 C ATOM 148 O ILE A 12 2.914 -7.695 0.725 1.00 0.00 O ATOM 149 CB ILE A 12 0.873 -7.307 -1.900 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.603 -7.007 -3.391 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.647 -6.006 -1.129 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.851 -6.592 -3.617 1.00 0.00 C ATOM 0 H ILE A 12 2.037 -8.976 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 12 2.967 -7.018 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 12 0.191 -8.101 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.268 -6.213 -3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.829 -7.890 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.348 -5.621 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.733 -6.197 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.395 -5.271 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.011 -6.387 -4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.513 -7.398 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.068 -5.695 -3.037 1.00 0.00 H new ATOM 163 N GLN A 13 2.073 -9.665 0.063 1.00 0.00 N ATOM 164 CA GLN A 13 2.174 -10.289 1.385 1.00 0.00 C ATOM 165 C GLN A 13 3.584 -10.275 1.966 1.00 0.00 C ATOM 166 O GLN A 13 3.758 -10.359 3.181 1.00 0.00 O ATOM 167 CB GLN A 13 1.714 -11.748 1.322 1.00 0.00 C ATOM 168 CG GLN A 13 0.198 -11.895 1.497 1.00 0.00 C ATOM 169 CD GLN A 13 -0.331 -11.414 2.845 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.383 -12.172 3.804 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.755 -10.159 2.948 1.00 0.00 N ATOM 0 H GLN A 13 1.722 -10.288 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 13 1.534 -9.692 2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.009 -12.177 0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.223 -12.320 2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.302 -11.338 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.070 -12.944 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.707 -9.536 2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.129 -9.818 3.834 1.00 0.00 H new ATOM 178 N LYS A 14 4.589 -10.228 1.098 1.00 0.00 N ATOM 179 CA LYS A 14 5.979 -10.314 1.491 1.00 0.00 C ATOM 180 C LYS A 14 6.529 -8.938 1.935 1.00 0.00 C ATOM 181 O LYS A 14 7.652 -8.857 2.430 1.00 0.00 O ATOM 182 CB LYS A 14 6.741 -10.930 0.307 1.00 0.00 C ATOM 183 CG LYS A 14 6.374 -12.414 0.134 1.00 0.00 C ATOM 184 CD LYS A 14 6.821 -12.937 -1.238 1.00 0.00 C ATOM 185 CE LYS A 14 6.294 -14.361 -1.473 1.00 0.00 C ATOM 186 NZ LYS A 14 6.417 -14.761 -2.892 1.00 0.00 N ATOM 0 H LYS A 14 4.453 -10.128 0.092 1.00 0.00 H new ATOM 0 HA LYS A 14 6.106 -10.950 2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.506 -10.384 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.814 -10.833 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.844 -13.002 0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.297 -12.540 0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.455 -12.274 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.909 -12.932 -1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.847 -15.062 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.249 -14.418 -1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.795 -15.573 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.141 -13.965 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.402 -15.026 -3.094 1.00 0.00 H new ATOM 196 N HIS A 15 5.744 -7.859 1.774 1.00 0.00 N ATOM 197 CA HIS A 15 6.146 -6.480 2.052 1.00 0.00 C ATOM 198 C HIS A 15 5.293 -5.823 3.152 1.00 0.00 C ATOM 199 O HIS A 15 4.336 -5.104 2.876 1.00 0.00 O ATOM 200 CB HIS A 15 6.049 -5.683 0.755 1.00 0.00 C ATOM 201 CG HIS A 15 7.004 -6.143 -0.317 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.353 -5.874 -0.415 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.662 -6.919 -1.388 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.804 -6.483 -1.524 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.813 -7.139 -2.149 1.00 0.00 N ATOM 0 H HIS A 15 4.784 -7.931 1.436 1.00 0.00 H new ATOM 0 HA HIS A 15 7.170 -6.488 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.030 -5.751 0.374 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.239 -4.632 0.971 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.674 -7.297 -1.608 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.827 -6.450 -1.867 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.886 -7.687 -3.006 1.00 0.00 H new ATOM 212 N ASN A 16 5.671 -6.039 4.411 1.00 0.00 N ATOM 213 CA ASN A 16 4.889 -5.638 5.590 1.00 0.00 C ATOM 214 C ASN A 16 5.685 -5.743 6.904 1.00 0.00 C ATOM 215 O ASN A 16 5.194 -6.264 7.903 1.00 0.00 O ATOM 216 CB ASN A 16 3.594 -6.467 5.648 1.00 0.00 C ATOM 217 CG ASN A 16 3.848 -7.965 5.495 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.967 -8.450 5.628 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.817 -8.713 5.141 1.00 0.00 N ATOM 0 H ASN A 16 6.546 -6.506 4.650 1.00 0.00 H new ATOM 0 HA ASN A 16 4.640 -4.582 5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.091 -6.283 6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.919 -6.134 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.945 -9.711 4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.894 -8.292 5.035 1.00 0.00 H new ATOM 225 N ASN A 17 6.922 -5.242 6.921 1.00 0.00 N ATOM 226 CA ASN A 17 7.779 -5.275 8.102 1.00 0.00 C ATOM 227 C ASN A 17 8.709 -4.038 8.114 1.00 0.00 C ATOM 228 O ASN A 17 8.245 -2.912 7.933 1.00 0.00 O ATOM 229 CB ASN A 17 8.465 -6.655 8.096 1.00 0.00 C ATOM 230 CG ASN A 17 9.300 -6.948 9.332 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.522 -6.855 9.271 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.672 -7.272 10.451 1.00 0.00 N ATOM 0 H ASN A 17 7.357 -4.801 6.111 1.00 0.00 H new ATOM 0 HA ASN A 17 7.241 -5.189 9.046 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.701 -7.426 7.998 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.104 -6.725 7.216 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.206 -7.454 11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.654 -7.340 10.463 1.00 0.00 H new ATOM 238 N SER A 18 10.015 -4.225 8.325 1.00 0.00 N ATOM 239 CA SER A 18 11.048 -3.200 8.131 1.00 0.00 C ATOM 240 C SER A 18 11.539 -3.302 6.681 1.00 0.00 C ATOM 241 O SER A 18 11.702 -2.311 5.977 1.00 0.00 O ATOM 242 CB SER A 18 12.175 -3.421 9.146 1.00 0.00 C ATOM 243 OG SER A 18 13.235 -2.527 8.874 1.00 0.00 O ATOM 0 H SER A 18 10.394 -5.117 8.644 1.00 0.00 H new ATOM 0 HA SER A 18 10.659 -2.195 8.298 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.803 -3.264 10.158 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.530 -4.450 9.093 1.00 0.00 H new ATOM 0 HG SER A 18 13.955 -2.667 9.524 1.00 0.00 H new ATOM 248 N LYS A 19 11.672 -4.561 6.244 1.00 0.00 N ATOM 249 CA LYS A 19 11.853 -5.073 4.897 1.00 0.00 C ATOM 250 C LYS A 19 11.278 -4.125 3.838 1.00 0.00 C ATOM 251 O LYS A 19 11.970 -3.669 2.931 1.00 0.00 O ATOM 252 CB LYS A 19 11.044 -6.385 4.862 1.00 0.00 C ATOM 253 CG LYS A 19 11.525 -7.530 5.762 1.00 0.00 C ATOM 254 CD LYS A 19 12.720 -8.257 5.129 1.00 0.00 C ATOM 255 CE LYS A 19 13.108 -9.530 5.896 1.00 0.00 C ATOM 256 NZ LYS A 19 13.606 -9.235 7.258 1.00 0.00 N ATOM 0 H LYS A 19 11.651 -5.330 6.914 1.00 0.00 H new ATOM 0 HA LYS A 19 12.913 -5.197 4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.014 -6.154 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.031 -6.746 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.809 -7.136 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.711 -8.235 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.478 -8.517 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.575 -7.582 5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.243 -10.189 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.876 -10.067 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.855 -10.124 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.448 -8.627 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.865 -8.746 7.800 1.00 0.00 H new ATOM 266 N SER A 20 9.975 -3.875 3.974 1.00 0.00 N ATOM 267 CA SER A 20 9.172 -2.976 3.165 1.00 0.00 C ATOM 268 C SER A 20 7.824 -2.770 3.875 1.00 0.00 C ATOM 269 O SER A 20 7.537 -3.438 4.872 1.00 0.00 O ATOM 270 CB SER A 20 8.908 -3.552 1.765 1.00 0.00 C ATOM 271 OG SER A 20 10.020 -4.191 1.167 1.00 0.00 O ATOM 0 H SER A 20 9.423 -4.328 4.702 1.00 0.00 H new ATOM 0 HA SER A 20 9.713 -2.037 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.088 -4.267 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.576 -2.745 1.112 1.00 0.00 H new ATOM 0 HG SER A 20 9.708 -4.922 0.593 1.00 0.00 H new ATOM 276 N THR A 21 6.971 -1.899 3.343 1.00 0.00 N ATOM 277 CA THR A 21 5.566 -1.768 3.744 1.00 0.00 C ATOM 278 C THR A 21 4.688 -1.437 2.539 1.00 0.00 C ATOM 279 O THR A 21 4.585 -0.275 2.149 1.00 0.00 O ATOM 280 CB THR A 21 5.412 -0.743 4.874 1.00 0.00 C ATOM 281 OG1 THR A 21 5.881 -1.341 6.071 1.00 0.00 O ATOM 282 CG2 THR A 21 3.974 -0.268 5.085 1.00 0.00 C ATOM 0 H THR A 21 7.239 -1.249 2.605 1.00 0.00 H new ATOM 0 HA THR A 21 5.226 -2.727 4.136 1.00 0.00 H new ATOM 0 HB THR A 21 5.988 0.139 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.433 -2.121 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.946 0.455 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.608 0.201 4.172 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.342 -1.121 5.334 1.00 0.00 H new ATOM 290 N TRP A 22 4.036 -2.459 1.975 1.00 0.00 N ATOM 291 CA TRP A 22 3.060 -2.313 0.905 1.00 0.00 C ATOM 292 C TRP A 22 1.639 -2.325 1.390 1.00 0.00 C ATOM 293 O TRP A 22 1.339 -2.619 2.534 1.00 0.00 O ATOM 294 CB TRP A 22 3.240 -3.386 -0.183 1.00 0.00 C ATOM 295 CG TRP A 22 4.465 -3.383 -1.036 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.583 -2.654 -0.858 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.713 -4.189 -2.219 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.491 -2.941 -1.856 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.012 -3.902 -2.719 1.00 0.00 C ATOM 300 CE3 TRP A 22 3.950 -5.122 -2.940 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.509 -4.531 -3.872 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.519 -5.902 -3.949 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.798 -5.602 -4.422 1.00 0.00 C ATOM 0 H TRP A 22 4.179 -3.428 2.260 1.00 0.00 H new ATOM 0 HA TRP A 22 3.254 -1.330 0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.189 -4.358 0.308 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.380 -3.320 -0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.745 -1.950 -0.055 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.405 -2.496 -1.944 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.901 -5.239 -2.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.428 -4.192 -4.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.971 -6.736 -4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.237 -6.195 -5.210 1.00 0.00 H new ATOM 313 N LEU A 23 0.760 -1.951 0.478 1.00 0.00 N ATOM 314 CA LEU A 23 -0.655 -1.914 0.722 1.00 0.00 C ATOM 315 C LEU A 23 -1.433 -1.832 -0.592 1.00 0.00 C ATOM 316 O LEU A 23 -0.813 -1.584 -1.626 1.00 0.00 O ATOM 317 CB LEU A 23 -1.014 -0.767 1.677 1.00 0.00 C ATOM 318 CG LEU A 23 -0.106 0.352 2.211 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.854 1.691 1.988 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.043 0.234 3.736 1.00 0.00 C ATOM 0 H LEU A 23 1.022 -1.662 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.946 -2.844 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.845 -0.251 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.413 -1.255 2.566 1.00 0.00 H new ATOM 0 HG LEU A 23 0.862 0.293 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.242 2.515 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.046 1.827 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.800 1.673 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.689 1.033 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.938 0.317 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.484 -0.731 3.985 1.00 0.00 H new ATOM 331 N ILE A 24 -2.762 -2.025 -0.550 1.00 0.00 N ATOM 332 CA ILE A 24 -3.648 -1.732 -1.683 1.00 0.00 C ATOM 333 C ILE A 24 -4.663 -0.659 -1.293 1.00 0.00 C ATOM 334 O ILE A 24 -5.444 -0.857 -0.364 1.00 0.00 O ATOM 335 CB ILE A 24 -4.363 -2.965 -2.278 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.388 -4.066 -2.707 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.259 -2.593 -3.467 1.00 0.00 C ATOM 338 CD1 ILE A 24 -4.060 -5.443 -2.628 1.00 0.00 C ATOM 0 H ILE A 24 -3.249 -2.388 0.270 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.999 -1.366 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.984 -3.353 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.046 -3.880 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.506 -4.048 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.742 -3.491 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.020 -1.883 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.653 -2.140 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.352 -6.212 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.379 -5.634 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.927 -5.463 -3.288 1.00 0.00 H new ATOM 349 N LEU A 25 -4.666 0.460 -2.018 1.00 0.00 N ATOM 350 CA LEU A 25 -5.662 1.523 -1.878 1.00 0.00 C ATOM 351 C LEU A 25 -6.325 1.706 -3.249 1.00 0.00 C ATOM 352 O LEU A 25 -5.732 2.285 -4.161 1.00 0.00 O ATOM 353 CB LEU A 25 -5.118 2.844 -1.291 1.00 0.00 C ATOM 354 CG LEU A 25 -3.996 2.723 -0.256 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.563 4.110 0.222 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.427 1.915 0.966 1.00 0.00 C ATOM 0 H LEU A 25 -3.964 0.657 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.397 1.219 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.757 3.460 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.948 3.381 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.171 2.208 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.765 4.009 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.203 4.691 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.412 4.620 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.600 1.855 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.277 2.402 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.712 0.910 0.655 1.00 0.00 H new ATOM 367 N HIS A 26 -7.537 1.171 -3.405 1.00 0.00 N ATOM 368 CA HIS A 26 -8.345 1.296 -4.613 1.00 0.00 C ATOM 369 C HIS A 26 -7.690 0.542 -5.800 1.00 0.00 C ATOM 370 O HIS A 26 -7.340 1.132 -6.823 1.00 0.00 O ATOM 371 CB HIS A 26 -8.649 2.788 -4.899 1.00 0.00 C ATOM 372 CG HIS A 26 -8.701 3.732 -3.705 1.00 0.00 C ATOM 373 ND1 HIS A 26 -9.804 4.093 -2.955 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.663 4.526 -3.280 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.430 5.093 -2.138 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.134 5.390 -2.293 1.00 0.00 N ATOM 0 H HIS A 26 -7.993 0.625 -2.674 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.310 0.812 -4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.893 3.160 -5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.607 2.844 -5.415 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.733 3.676 -3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.649 4.487 -3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.091 5.593 -1.445 1.00 0.00 H new ATOM 383 N TYR A 27 -7.450 -0.770 -5.633 1.00 0.00 N ATOM 384 CA TYR A 27 -6.729 -1.679 -6.546 1.00 0.00 C ATOM 385 C TYR A 27 -5.228 -1.417 -6.702 1.00 0.00 C ATOM 386 O TYR A 27 -4.475 -2.328 -7.056 1.00 0.00 O ATOM 387 CB TYR A 27 -7.311 -1.732 -7.959 1.00 0.00 C ATOM 388 CG TYR A 27 -8.799 -1.997 -8.061 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.272 -3.323 -8.013 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.701 -0.941 -8.286 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.634 -3.593 -8.228 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.070 -1.211 -8.457 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.533 -2.536 -8.428 1.00 0.00 C ATOM 394 OH TYR A 27 -12.852 -2.801 -8.633 1.00 0.00 O ATOM 0 H TYR A 27 -7.777 -1.259 -4.799 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.869 -2.629 -6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.097 -0.784 -8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.786 -2.508 -8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.587 -4.133 -7.811 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.342 0.077 -8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.988 -4.613 -8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.765 -0.399 -8.611 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.340 -1.960 -8.753 1.00 0.00 H new ATOM 403 N LYS A 28 -4.787 -0.174 -6.501 1.00 0.00 N ATOM 404 CA LYS A 28 -3.403 0.181 -6.738 1.00 0.00 C ATOM 405 C LYS A 28 -2.540 -0.383 -5.617 1.00 0.00 C ATOM 406 O LYS A 28 -3.023 -0.466 -4.497 1.00 0.00 O ATOM 407 CB LYS A 28 -3.257 1.689 -6.907 1.00 0.00 C ATOM 408 CG LYS A 28 -4.019 2.205 -8.127 1.00 0.00 C ATOM 409 CD LYS A 28 -3.437 1.762 -9.474 1.00 0.00 C ATOM 410 CE LYS A 28 -4.189 2.417 -10.640 1.00 0.00 C ATOM 411 NZ LYS A 28 -5.588 1.944 -10.712 1.00 0.00 N ATOM 0 H LYS A 28 -5.372 0.595 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.056 -0.261 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.623 2.191 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.201 1.942 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.053 1.867 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.037 3.294 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.381 2.027 -9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.497 0.677 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.175 3.500 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.678 2.192 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.987 2.181 -11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.613 0.913 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.149 2.405 -9.967 1.00 0.00 H new ATOM 421 N VAL A 29 -1.296 -0.773 -5.895 1.00 0.00 N ATOM 422 CA VAL A 29 -0.355 -1.211 -4.870 1.00 0.00 C ATOM 423 C VAL A 29 0.595 -0.061 -4.527 1.00 0.00 C ATOM 424 O VAL A 29 1.053 0.678 -5.405 1.00 0.00 O ATOM 425 CB VAL A 29 0.411 -2.465 -5.302 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.538 -2.802 -4.327 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.497 -3.679 -5.185 1.00 0.00 C ATOM 0 H VAL A 29 -0.914 -0.793 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.914 -1.485 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 29 0.774 -2.263 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.058 -3.697 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.240 -1.970 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.121 -2.980 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.048 -4.572 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.823 -3.791 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.367 -3.546 -5.828 1.00 0.00 H new ATOM 437 N TYR A 30 0.878 0.057 -3.232 1.00 0.00 N ATOM 438 CA TYR A 30 1.598 1.101 -2.556 1.00 0.00 C ATOM 439 C TYR A 30 2.864 0.491 -1.932 1.00 0.00 C ATOM 440 O TYR A 30 2.829 -0.689 -1.599 1.00 0.00 O ATOM 441 CB TYR A 30 0.550 1.594 -1.547 1.00 0.00 C ATOM 442 CG TYR A 30 -0.580 2.365 -2.200 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.649 1.648 -2.752 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.507 3.756 -2.402 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.637 2.312 -3.487 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.559 4.421 -3.068 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.628 3.696 -3.602 1.00 0.00 C ATOM 448 OH TYR A 30 -3.677 4.314 -4.213 1.00 0.00 O ATOM 0 H TYR A 30 0.570 -0.658 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 30 1.968 1.926 -3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.138 0.739 -1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.036 2.229 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.711 0.579 -2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.349 4.312 -2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.416 1.741 -3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.538 5.496 -3.166 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.436 3.696 -4.264 1.00 0.00 H new ATOM 457 N ASP A 31 3.962 1.252 -1.819 1.00 0.00 N ATOM 458 CA ASP A 31 5.156 0.911 -1.021 1.00 0.00 C ATOM 459 C ASP A 31 5.623 2.171 -0.278 1.00 0.00 C ATOM 460 O ASP A 31 6.050 3.142 -0.904 1.00 0.00 O ATOM 461 CB ASP A 31 6.327 0.380 -1.860 1.00 0.00 C ATOM 462 CG ASP A 31 7.510 -0.100 -1.007 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.660 0.357 0.153 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.233 -0.984 -1.514 1.00 0.00 O ATOM 0 H ASP A 31 4.050 2.150 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 31 4.864 0.113 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.977 -0.444 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.668 1.165 -2.535 1.00 0.00 H new ATOM 468 N LEU A 32 5.536 2.156 1.050 1.00 0.00 N ATOM 469 CA LEU A 32 5.627 3.364 1.861 1.00 0.00 C ATOM 470 C LEU A 32 6.715 3.341 2.926 1.00 0.00 C ATOM 471 O LEU A 32 6.723 4.201 3.802 1.00 0.00 O ATOM 472 CB LEU A 32 4.254 3.543 2.507 1.00 0.00 C ATOM 473 CG LEU A 32 3.152 3.219 1.495 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.810 3.434 2.120 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.141 4.160 0.308 1.00 0.00 C ATOM 0 H LEU A 32 5.400 1.304 1.593 1.00 0.00 H new ATOM 0 HA LEU A 32 5.909 4.195 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.164 2.891 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.142 4.567 2.864 1.00 0.00 H new ATOM 0 HG LEU A 32 3.346 2.192 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.030 3.202 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.704 2.783 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.717 4.474 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.338 3.878 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.981 5.181 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.096 4.099 -0.213 1.00 0.00 H new ATOM 486 N THR A 33 7.631 2.379 2.837 1.00 0.00 N ATOM 487 CA THR A 33 8.647 2.013 3.828 1.00 0.00 C ATOM 488 C THR A 33 9.409 3.173 4.498 1.00 0.00 C ATOM 489 O THR A 33 9.846 3.032 5.635 1.00 0.00 O ATOM 490 CB THR A 33 9.586 1.014 3.137 1.00 0.00 C ATOM 491 OG1 THR A 33 8.797 0.020 2.494 1.00 0.00 O ATOM 492 CG2 THR A 33 10.524 0.323 4.131 1.00 0.00 C ATOM 0 H THR A 33 7.689 1.788 2.007 1.00 0.00 H new ATOM 0 HA THR A 33 8.135 1.577 4.686 1.00 0.00 H new ATOM 0 HB THR A 33 10.197 1.565 2.422 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.794 0.180 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.170 -0.375 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.136 1.071 4.634 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.935 -0.220 4.870 1.00 0.00 H new ATOM 500 N LYS A 34 9.550 4.319 3.831 1.00 0.00 N ATOM 501 CA LYS A 34 10.093 5.547 4.424 1.00 0.00 C ATOM 502 C LYS A 34 9.004 6.460 4.967 1.00 0.00 C ATOM 503 O LYS A 34 9.152 7.041 6.032 1.00 0.00 O ATOM 504 CB LYS A 34 10.834 6.325 3.331 1.00 0.00 C ATOM 505 CG LYS A 34 11.911 5.479 2.646 1.00 0.00 C ATOM 506 CD LYS A 34 13.321 6.093 2.685 1.00 0.00 C ATOM 507 CE LYS A 34 14.012 5.889 4.046 1.00 0.00 C ATOM 508 NZ LYS A 34 13.854 7.044 4.950 1.00 0.00 N ATOM 0 H LYS A 34 9.288 4.424 2.851 1.00 0.00 H new ATOM 0 HA LYS A 34 10.745 5.254 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.118 6.671 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.294 7.212 3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.942 4.498 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.625 5.321 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.931 5.646 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.256 7.160 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.603 5.000 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.074 5.703 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.219 6.800 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.384 7.855 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.847 7.293 5.023 1.00 0.00 H new ATOM 518 N PHE A 35 7.889 6.579 4.246 1.00 0.00 N ATOM 519 CA PHE A 35 6.801 7.457 4.676 1.00 0.00 C ATOM 520 C PHE A 35 6.388 7.142 6.114 1.00 0.00 C ATOM 521 O PHE A 35 6.064 8.037 6.888 1.00 0.00 O ATOM 522 CB PHE A 35 5.613 7.369 3.731 1.00 0.00 C ATOM 523 CG PHE A 35 4.462 8.236 4.189 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.687 9.595 4.481 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.182 7.685 4.366 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.623 10.421 4.869 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.117 8.511 4.757 1.00 0.00 C ATOM 528 CZ PHE A 35 2.334 9.884 4.986 1.00 0.00 C ATOM 0 H PHE A 35 7.716 6.084 3.371 1.00 0.00 H new ATOM 0 HA PHE A 35 7.166 8.484 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.921 7.674 2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.281 6.333 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.684 10.003 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.018 6.630 4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.796 11.467 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.129 8.093 4.883 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.506 10.524 5.252 1.00 0.00 H new ATOM 537 N LEU A 36 6.460 5.855 6.457 1.00 0.00 N ATOM 538 CA LEU A 36 6.430 5.323 7.814 1.00 0.00 C ATOM 539 C LEU A 36 6.991 6.326 8.848 1.00 0.00 C ATOM 540 O LEU A 36 6.298 6.708 9.789 1.00 0.00 O ATOM 541 CB LEU A 36 7.287 4.043 7.773 1.00 0.00 C ATOM 542 CG LEU A 36 6.760 2.937 6.854 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.361 1.603 7.306 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.238 2.797 6.831 1.00 0.00 C ATOM 0 H LEU A 36 6.545 5.119 5.756 1.00 0.00 H new ATOM 0 HA LEU A 36 5.406 5.123 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.295 4.309 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.367 3.646 8.785 1.00 0.00 H new ATOM 0 HG LEU A 36 7.058 3.213 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.996 0.803 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.448 1.653 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.067 1.402 8.336 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.957 1.990 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.878 2.570 7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.792 3.730 6.488 1.00 0.00 H new ATOM 555 N GLU A 37 8.229 6.781 8.632 1.00 0.00 N ATOM 556 CA GLU A 37 8.974 7.730 9.458 1.00 0.00 C ATOM 557 C GLU A 37 8.203 9.043 9.708 1.00 0.00 C ATOM 558 O GLU A 37 8.288 9.630 10.785 1.00 0.00 O ATOM 559 CB GLU A 37 10.294 8.041 8.726 1.00 0.00 C ATOM 560 CG GLU A 37 11.198 6.820 8.450 1.00 0.00 C ATOM 561 CD GLU A 37 12.244 7.098 7.378 1.00 0.00 C ATOM 562 OE1 GLU A 37 11.929 7.795 6.389 1.00 0.00 O ATOM 563 OE2 GLU A 37 13.372 6.561 7.459 1.00 0.00 O ATOM 0 H GLU A 37 8.770 6.475 7.823 1.00 0.00 H new ATOM 0 HA GLU A 37 9.144 7.280 10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.059 8.521 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.857 8.763 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.698 6.526 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.580 5.977 8.140 1.00 0.00 H new ATOM 568 N GLU A 38 7.495 9.528 8.684 1.00 0.00 N ATOM 569 CA GLU A 38 6.858 10.841 8.618 1.00 0.00 C ATOM 570 C GLU A 38 5.392 10.796 9.078 1.00 0.00 C ATOM 571 O GLU A 38 4.901 11.696 9.758 1.00 0.00 O ATOM 572 CB GLU A 38 6.903 11.326 7.159 1.00 0.00 C ATOM 573 CG GLU A 38 8.268 11.126 6.485 1.00 0.00 C ATOM 574 CD GLU A 38 8.320 11.754 5.099 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.878 11.068 4.151 1.00 0.00 O ATOM 576 OE2 GLU A 38 8.782 12.912 5.015 1.00 0.00 O ATOM 0 H GLU A 38 7.344 8.984 7.835 1.00 0.00 H new ATOM 0 HA GLU A 38 7.396 11.516 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.143 10.796 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.644 12.384 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.048 11.562 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.481 10.060 6.408 1.00 0.00 H new ATOM 581 N HIS A 39 4.680 9.766 8.620 1.00 0.00 N ATOM 582 CA HIS A 39 3.236 9.593 8.719 1.00 0.00 C ATOM 583 C HIS A 39 2.669 9.859 10.125 1.00 0.00 C ATOM 584 O HIS A 39 2.904 9.065 11.035 1.00 0.00 O ATOM 585 CB HIS A 39 2.900 8.166 8.274 1.00 0.00 C ATOM 586 CG HIS A 39 1.424 7.856 8.217 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.843 6.692 8.656 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.470 8.565 7.538 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.431 6.693 8.212 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.707 7.817 7.515 1.00 0.00 N ATOM 0 H HIS A 39 5.126 8.984 8.141 1.00 0.00 H new ATOM 0 HA HIS A 39 2.768 10.337 8.074 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.332 7.996 7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.379 7.464 8.957 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.290 5.964 9.213 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.606 9.540 7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.139 5.897 8.391 1.00 0.00 H new ATOM 597 N PRO A 40 1.846 10.910 10.314 1.00 0.00 N ATOM 598 CA PRO A 40 1.267 11.230 11.616 1.00 0.00 C ATOM 599 C PRO A 40 0.350 10.117 12.146 1.00 0.00 C ATOM 600 O PRO A 40 0.146 10.010 13.351 1.00 0.00 O ATOM 601 CB PRO A 40 0.546 12.569 11.433 1.00 0.00 C ATOM 602 CG PRO A 40 0.217 12.589 9.944 1.00 0.00 C ATOM 603 CD PRO A 40 1.396 11.860 9.310 1.00 0.00 C ATOM 0 HA PRO A 40 2.039 11.310 12.382 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.354 12.628 12.045 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.180 13.409 11.716 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.726 12.085 9.734 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.125 13.607 9.567 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.097 11.351 8.394 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.191 12.556 9.043 1.00 0.00 H new ATOM 608 N GLY A 41 -0.173 9.261 11.262 1.00 0.00 N ATOM 609 CA GLY A 41 -0.849 8.027 11.660 1.00 0.00 C ATOM 610 C GLY A 41 0.039 7.124 12.535 1.00 0.00 C ATOM 611 O GLY A 41 -0.467 6.484 13.456 1.00 0.00 O ATOM 0 H GLY A 41 -0.139 9.406 10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.759 8.275 12.206 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.152 7.479 10.768 1.00 0.00 H new ATOM 615 N GLY A 42 1.341 7.052 12.222 1.00 0.00 N ATOM 616 CA GLY A 42 2.326 6.116 12.776 1.00 0.00 C ATOM 617 C GLY A 42 2.924 5.221 11.678 1.00 0.00 C ATOM 618 O GLY A 42 2.402 5.200 10.556 1.00 0.00 O ATOM 0 H GLY A 42 1.757 7.682 11.536 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.123 6.673 13.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.853 5.495 13.537 1.00 0.00 H new ATOM 622 N GLU A 43 3.975 4.446 11.994 1.00 0.00 N ATOM 623 CA GLU A 43 4.451 3.409 11.075 1.00 0.00 C ATOM 624 C GLU A 43 3.545 2.198 11.258 1.00 0.00 C ATOM 625 O GLU A 43 2.930 1.703 10.325 1.00 0.00 O ATOM 626 CB GLU A 43 5.888 2.925 11.359 1.00 0.00 C ATOM 627 CG GLU A 43 7.018 3.914 11.658 1.00 0.00 C ATOM 628 CD GLU A 43 8.372 3.208 11.749 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.394 1.969 11.538 1.00 0.00 O ATOM 630 OE2 GLU A 43 9.369 3.909 12.008 1.00 0.00 O ATOM 0 H GLU A 43 4.501 4.518 12.865 1.00 0.00 H new ATOM 0 HA GLU A 43 4.438 3.840 10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.831 2.242 12.207 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.201 2.337 10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.054 4.673 10.877 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.812 4.431 12.595 1.00 0.00 H new ATOM 635 N GLU A 44 3.457 1.726 12.499 1.00 0.00 N ATOM 636 CA GLU A 44 2.689 0.574 12.925 1.00 0.00 C ATOM 637 C GLU A 44 1.238 0.712 12.524 1.00 0.00 C ATOM 638 O GLU A 44 0.644 -0.217 12.005 1.00 0.00 O ATOM 639 CB GLU A 44 2.829 0.293 14.419 1.00 0.00 C ATOM 640 CG GLU A 44 2.771 1.516 15.368 1.00 0.00 C ATOM 641 CD GLU A 44 4.001 2.420 15.364 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.924 2.126 16.150 1.00 0.00 O ATOM 643 OE2 GLU A 44 4.005 3.360 14.531 1.00 0.00 O ATOM 0 H GLU A 44 3.951 2.168 13.274 1.00 0.00 H new ATOM 0 HA GLU A 44 3.105 -0.291 12.409 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.040 -0.400 14.710 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.778 -0.218 14.581 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.901 2.117 15.103 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.612 1.156 16.384 1.00 0.00 H new ATOM 648 N HIS A 45 0.685 1.902 12.675 1.00 0.00 N ATOM 649 CA HIS A 45 -0.682 2.172 12.274 1.00 0.00 C ATOM 650 C HIS A 45 -0.911 1.991 10.768 1.00 0.00 C ATOM 651 O HIS A 45 -2.040 1.818 10.320 1.00 0.00 O ATOM 652 CB HIS A 45 -0.992 3.591 12.749 1.00 0.00 C ATOM 653 CG HIS A 45 -2.430 3.934 13.040 1.00 0.00 C ATOM 654 ND1 HIS A 45 -2.814 5.071 13.707 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.550 3.167 12.845 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.138 4.996 13.918 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.633 3.861 13.398 1.00 0.00 N ATOM 0 H HIS A 45 1.169 2.705 13.077 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.363 1.452 12.729 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.414 3.775 13.654 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.628 4.285 11.991 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.203 5.836 13.992 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.589 2.205 12.355 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.723 5.743 14.434 1.00 0.00 H new ATOM 664 N LEU A 46 0.175 2.005 9.995 1.00 0.00 N ATOM 665 CA LEU A 46 0.205 1.761 8.565 1.00 0.00 C ATOM 666 C LEU A 46 0.751 0.357 8.239 1.00 0.00 C ATOM 667 O LEU A 46 0.400 -0.231 7.219 1.00 0.00 O ATOM 668 CB LEU A 46 1.016 2.932 7.978 1.00 0.00 C ATOM 669 CG LEU A 46 1.140 3.001 6.458 1.00 0.00 C ATOM 670 CD1 LEU A 46 -0.244 2.967 5.810 1.00 0.00 C ATOM 671 CD2 LEU A 46 1.818 4.321 6.069 1.00 0.00 C ATOM 0 H LEU A 46 1.102 2.197 10.375 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.786 1.741 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.564 3.862 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.021 2.891 8.398 1.00 0.00 H new ATOM 0 HG LEU A 46 1.726 2.148 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.140 3.017 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.751 2.042 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.830 3.818 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.910 4.377 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.217 5.158 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.809 4.368 6.520 1.00 0.00 H new ATOM 682 N ARG A 47 1.559 -0.212 9.138 1.00 0.00 N ATOM 683 CA ARG A 47 2.264 -1.486 8.963 1.00 0.00 C ATOM 684 C ARG A 47 1.356 -2.645 9.351 1.00 0.00 C ATOM 685 O ARG A 47 1.295 -3.665 8.675 1.00 0.00 O ATOM 686 CB ARG A 47 3.520 -1.495 9.831 1.00 0.00 C ATOM 687 CG ARG A 47 4.470 -2.646 9.479 1.00 0.00 C ATOM 688 CD ARG A 47 5.699 -2.637 10.397 1.00 0.00 C ATOM 689 NE ARG A 47 6.760 -1.749 9.875 1.00 0.00 N ATOM 690 CZ ARG A 47 7.312 -0.676 10.454 1.00 0.00 C ATOM 691 NH1 ARG A 47 6.869 -0.162 11.588 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.351 -0.073 9.900 1.00 0.00 N ATOM 0 H ARG A 47 1.748 0.219 10.043 1.00 0.00 H new ATOM 0 HA ARG A 47 2.547 -1.599 7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.045 -0.547 9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.232 -1.573 10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.947 -3.597 9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.786 -2.558 8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.407 -2.309 11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.088 -3.651 10.496 1.00 0.00 H new ATOM 0 HE ARG A 47 7.119 -1.986 8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.071 -0.585 12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.325 0.658 11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.738 -0.425 9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.765 0.744 10.348 1.00 0.00 H new ATOM 703 N GLU A 48 0.658 -2.453 10.467 1.00 0.00 N ATOM 704 CA GLU A 48 -0.460 -3.296 10.895 1.00 0.00 C ATOM 705 C GLU A 48 -1.377 -3.625 9.701 1.00 0.00 C ATOM 706 O GLU A 48 -1.679 -4.785 9.425 1.00 0.00 O ATOM 707 CB GLU A 48 -1.219 -2.532 11.989 1.00 0.00 C ATOM 708 CG GLU A 48 -2.350 -3.340 12.655 1.00 0.00 C ATOM 709 CD GLU A 48 -3.652 -3.417 11.863 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.903 -2.482 11.075 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.383 -4.403 12.093 1.00 0.00 O ATOM 0 H GLU A 48 0.857 -1.691 11.115 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.100 -4.247 11.287 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.511 -2.219 12.756 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.642 -1.625 11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.993 -4.354 12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.563 -2.900 13.630 1.00 0.00 H new ATOM 716 N GLN A 49 -1.749 -2.581 8.954 1.00 0.00 N ATOM 717 CA GLN A 49 -2.547 -2.681 7.738 1.00 0.00 C ATOM 718 C GLN A 49 -1.793 -3.386 6.615 1.00 0.00 C ATOM 719 O GLN A 49 -2.371 -4.130 5.825 1.00 0.00 O ATOM 720 CB GLN A 49 -2.857 -1.268 7.215 1.00 0.00 C ATOM 721 CG GLN A 49 -4.329 -0.883 7.269 1.00 0.00 C ATOM 722 CD GLN A 49 -5.321 -1.773 6.518 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.507 -1.477 6.512 1.00 0.00 O ATOM 724 NE2 GLN A 49 -4.901 -2.825 5.828 1.00 0.00 N ATOM 0 H GLN A 49 -1.495 -1.621 9.188 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.445 -3.242 7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.284 -0.545 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.512 -1.192 6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.630 -0.853 8.316 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.426 0.131 6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.912 -3.075 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.567 -3.384 5.295 1.00 0.00 H new ATOM 731 N ALA A 50 -0.544 -2.966 6.452 1.00 0.00 N ATOM 732 CA ALA A 50 0.303 -3.297 5.309 1.00 0.00 C ATOM 733 C ALA A 50 0.350 -4.783 4.922 1.00 0.00 C ATOM 734 O ALA A 50 0.211 -5.687 5.743 1.00 0.00 O ATOM 735 CB ALA A 50 1.732 -2.831 5.589 1.00 0.00 C ATOM 0 H ALA A 50 -0.077 -2.367 7.132 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.153 -2.781 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.368 -3.076 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.738 -1.753 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.110 -3.332 6.481 1.00 0.00 H new ATOM 741 N GLY A 51 0.618 -5.018 3.637 1.00 0.00 N ATOM 742 CA GLY A 51 0.748 -6.351 3.041 1.00 0.00 C ATOM 743 C GLY A 51 -0.386 -6.690 2.068 1.00 0.00 C ATOM 744 O GLY A 51 -0.401 -7.769 1.474 1.00 0.00 O ATOM 0 H GLY A 51 0.755 -4.266 2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.701 -6.416 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.771 -7.097 3.836 1.00 0.00 H new ATOM 748 N GLY A 52 -1.319 -5.748 1.894 1.00 0.00 N ATOM 749 CA GLY A 52 -2.354 -5.759 0.873 1.00 0.00 C ATOM 750 C GLY A 52 -3.729 -5.402 1.435 1.00 0.00 C ATOM 751 O GLY A 52 -4.130 -5.898 2.481 1.00 0.00 O ATOM 0 H GLY A 52 -1.369 -4.923 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.092 -5.052 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.397 -6.747 0.414 1.00 0.00 H new ATOM 755 N ASP A 53 -4.413 -4.517 0.711 1.00 0.00 N ATOM 756 CA ASP A 53 -5.709 -3.940 1.038 1.00 0.00 C ATOM 757 C ASP A 53 -5.768 -3.182 2.369 1.00 0.00 C ATOM 758 O ASP A 53 -5.860 -3.743 3.459 1.00 0.00 O ATOM 759 CB ASP A 53 -6.882 -4.890 0.812 1.00 0.00 C ATOM 760 CG ASP A 53 -8.208 -4.129 0.919 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.168 -2.872 0.941 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.246 -4.817 0.955 1.00 0.00 O ATOM 0 H ASP A 53 -4.051 -4.164 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.834 -3.153 0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.799 -5.354 -0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.855 -5.694 1.548 1.00 0.00 H new ATOM 766 N ALA A 54 -5.765 -1.861 2.226 1.00 0.00 N ATOM 767 CA ALA A 54 -6.044 -0.902 3.268 1.00 0.00 C ATOM 768 C ALA A 54 -6.990 0.146 2.694 1.00 0.00 C ATOM 769 O ALA A 54 -7.032 1.279 3.160 1.00 0.00 O ATOM 770 CB ALA A 54 -4.711 -0.325 3.747 1.00 0.00 C ATOM 0 H ALA A 54 -5.556 -1.416 1.332 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.534 -1.344 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.893 0.404 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.084 -1.129 4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.205 0.161 2.913 1.00 0.00 H new ATOM 776 N THR A 55 -7.756 -0.241 1.669 1.00 0.00 N ATOM 777 CA THR A 55 -8.614 0.659 0.921 1.00 0.00 C ATOM 778 C THR A 55 -9.762 1.091 1.825 1.00 0.00 C ATOM 779 O THR A 55 -9.983 2.283 2.040 1.00 0.00 O ATOM 780 CB THR A 55 -9.099 -0.075 -0.337 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.028 -0.448 -1.177 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.026 0.810 -1.173 1.00 0.00 C ATOM 0 H THR A 55 -7.792 -1.205 1.337 1.00 0.00 H new ATOM 0 HA THR A 55 -8.087 1.558 0.602 1.00 0.00 H new ATOM 0 HB THR A 55 -9.623 -0.960 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.231 -0.622 -0.634 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.353 0.262 -2.057 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.895 1.090 -0.578 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.491 1.709 -1.480 1.00 0.00 H new ATOM 790 N GLU A 56 -10.433 0.105 2.423 1.00 0.00 N ATOM 791 CA GLU A 56 -11.499 0.341 3.380 1.00 0.00 C ATOM 792 C GLU A 56 -11.025 1.223 4.541 1.00 0.00 C ATOM 793 O GLU A 56 -11.608 2.275 4.786 1.00 0.00 O ATOM 794 CB GLU A 56 -12.059 -1.010 3.844 1.00 0.00 C ATOM 795 CG GLU A 56 -13.261 -0.834 4.786 1.00 0.00 C ATOM 796 CD GLU A 56 -13.872 -2.171 5.187 1.00 0.00 C ATOM 797 OE1 GLU A 56 -13.274 -2.819 6.072 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.917 -2.518 4.596 1.00 0.00 O ATOM 0 H GLU A 56 -10.246 -0.883 2.251 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.306 0.898 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.360 -1.597 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.277 -1.573 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.945 -0.297 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.018 -0.221 4.297 1.00 0.00 H new ATOM 803 N ASN A 57 -9.931 0.850 5.220 1.00 0.00 N ATOM 804 CA ASN A 57 -9.460 1.655 6.348 1.00 0.00 C ATOM 805 C ASN A 57 -9.011 3.049 5.880 1.00 0.00 C ATOM 806 O ASN A 57 -9.230 4.038 6.579 1.00 0.00 O ATOM 807 CB ASN A 57 -8.345 0.967 7.154 1.00 0.00 C ATOM 808 CG ASN A 57 -8.351 1.388 8.627 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.060 0.588 9.505 1.00 0.00 O ATOM 810 ND2 ASN A 57 -8.667 2.636 8.946 1.00 0.00 N ATOM 0 H ASN A 57 -9.373 0.022 5.014 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.310 1.766 7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.465 -0.114 7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.378 1.209 6.713 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.667 2.928 9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.910 3.304 8.214 1.00 0.00 H new ATOM 816 N PHE A 58 -8.370 3.141 4.711 1.00 0.00 N ATOM 817 CA PHE A 58 -7.982 4.431 4.147 1.00 0.00 C ATOM 818 C PHE A 58 -9.194 5.351 3.953 1.00 0.00 C ATOM 819 O PHE A 58 -9.143 6.484 4.410 1.00 0.00 O ATOM 820 CB PHE A 58 -7.198 4.225 2.847 1.00 0.00 C ATOM 821 CG PHE A 58 -6.681 5.481 2.166 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.768 6.316 2.839 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.869 5.635 0.779 1.00 0.00 C ATOM 824 CE1 PHE A 58 -5.001 7.249 2.118 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.084 6.551 0.055 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.138 7.350 0.723 1.00 0.00 C ATOM 0 H PHE A 58 -8.110 2.337 4.140 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.326 4.935 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.348 3.576 3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.837 3.692 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.657 6.240 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.618 5.048 0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.305 7.890 2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.208 6.641 -1.014 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.520 8.038 0.166 1.00 0.00 H new ATOM 835 N GLU A 59 -10.264 4.870 3.303 1.00 0.00 N ATOM 836 CA GLU A 59 -11.517 5.568 3.030 1.00 0.00 C ATOM 837 C GLU A 59 -12.331 5.851 4.304 1.00 0.00 C ATOM 838 O GLU A 59 -12.920 6.926 4.415 1.00 0.00 O ATOM 839 CB GLU A 59 -12.328 4.776 1.990 1.00 0.00 C ATOM 840 CG GLU A 59 -11.674 4.844 0.595 1.00 0.00 C ATOM 841 CD GLU A 59 -12.489 4.165 -0.506 1.00 0.00 C ATOM 842 OE1 GLU A 59 -13.726 4.335 -0.485 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.856 3.542 -1.389 1.00 0.00 O ATOM 0 H GLU A 59 -10.272 3.920 2.932 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.277 6.548 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.409 3.736 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.342 5.173 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.520 5.889 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.689 4.379 0.643 1.00 0.00 H new ATOM 848 N ASP A 60 -12.338 4.930 5.273 1.00 0.00 N ATOM 849 CA ASP A 60 -12.911 5.135 6.601 1.00 0.00 C ATOM 850 C ASP A 60 -12.433 6.472 7.195 1.00 0.00 C ATOM 851 O ASP A 60 -13.231 7.371 7.453 1.00 0.00 O ATOM 852 CB ASP A 60 -12.535 3.928 7.464 1.00 0.00 C ATOM 853 CG ASP A 60 -13.131 4.031 8.856 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.330 3.712 8.988 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.370 4.445 9.756 1.00 0.00 O ATOM 0 H ASP A 60 -11.935 4.001 5.150 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.998 5.204 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.884 3.014 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.450 3.855 7.536 1.00 0.00 H new ATOM 859 N VAL A 61 -11.111 6.638 7.308 1.00 0.00 N ATOM 860 CA VAL A 61 -10.495 7.931 7.607 1.00 0.00 C ATOM 861 C VAL A 61 -10.064 8.618 6.298 1.00 0.00 C ATOM 862 O VAL A 61 -8.946 9.120 6.199 1.00 0.00 O ATOM 863 CB VAL A 61 -9.342 7.774 8.621 1.00 0.00 C ATOM 864 CG1 VAL A 61 -9.892 7.394 10.001 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.292 6.736 8.202 1.00 0.00 C ATOM 0 H VAL A 61 -10.440 5.879 7.194 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.226 8.582 8.087 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.845 8.743 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.067 7.287 10.705 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.568 8.174 10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.433 6.450 9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.513 6.680 8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.767 5.761 8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.850 7.030 7.250 1.00 0.00 H new ATOM 875 N GLY A 62 -10.942 8.633 5.285 1.00 0.00 N ATOM 876 CA GLY A 62 -10.657 9.043 3.907 1.00 0.00 C ATOM 877 C GLY A 62 -9.892 10.366 3.793 1.00 0.00 C ATOM 878 O GLY A 62 -10.469 11.448 3.838 1.00 0.00 O ATOM 0 H GLY A 62 -11.913 8.347 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.079 8.259 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.598 9.132 3.364 1.00 0.00 H new ATOM 882 N HIS A 63 -8.573 10.235 3.612 1.00 0.00 N ATOM 883 CA HIS A 63 -7.573 11.294 3.683 1.00 0.00 C ATOM 884 CB HIS A 63 -6.212 10.660 3.392 1.00 0.00 C ATOM 885 CG HIS A 63 -5.647 9.764 4.458 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.307 9.000 5.392 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.315 9.648 4.707 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.377 8.430 6.180 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.142 8.795 5.795 1.00 0.00 N ATOM 0 H HIS A 63 -8.155 9.329 3.399 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.294 10.084 2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.496 11.460 3.205 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.317 8.886 5.473 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.525 10.135 4.155 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.593 7.770 7.007 1.00 0.00 H new ATOM 896 N SER A 64 -7.041 13.565 2.990 1.00 0.00 N ATOM 897 CA SER A 64 -7.031 14.798 2.207 1.00 0.00 C ATOM 898 C SER A 64 -6.778 14.595 0.705 1.00 0.00 C ATOM 899 O SER A 64 -6.183 13.610 0.257 1.00 0.00 O ATOM 900 CB SER A 64 -5.951 15.737 2.758 1.00 0.00 C ATOM 901 OG SER A 64 -4.673 15.177 2.539 1.00 0.00 O ATOM 0 HA SER A 64 -8.031 15.220 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.020 16.710 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.108 15.901 3.824 1.00 0.00 H new ATOM 0 HG SER A 64 -4.169 15.173 3.379 1.00 0.00 H new ATOM 906 N THR A 65 -7.189 15.587 -0.085 1.00 0.00 N ATOM 907 CA THR A 65 -6.824 15.697 -1.492 1.00 0.00 C ATOM 908 C THR A 65 -5.317 15.634 -1.651 1.00 0.00 C ATOM 909 O THR A 65 -4.800 14.833 -2.414 1.00 0.00 O ATOM 910 CB THR A 65 -7.324 17.046 -2.030 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.345 18.024 -0.994 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.760 16.903 -2.532 1.00 0.00 C ATOM 0 H THR A 65 -7.791 16.343 0.240 1.00 0.00 H new ATOM 0 HA THR A 65 -7.276 14.873 -2.044 1.00 0.00 H new ATOM 0 HB THR A 65 -6.651 17.351 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.442 18.382 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.110 17.863 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.794 16.162 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.402 16.582 -1.712 1.00 0.00 H new ATOM 920 N ASP A 66 -4.635 16.469 -0.888 1.00 0.00 N ATOM 921 CA ASP A 66 -3.205 16.604 -0.738 1.00 0.00 C ATOM 922 C ASP A 66 -2.538 15.234 -0.537 1.00 0.00 C ATOM 923 O ASP A 66 -1.569 14.886 -1.209 1.00 0.00 O ATOM 924 CB ASP A 66 -3.027 17.551 0.458 1.00 0.00 C ATOM 925 CG ASP A 66 -3.791 18.864 0.287 1.00 0.00 C ATOM 926 OD1 ASP A 66 -5.042 18.782 0.181 1.00 0.00 O ATOM 927 OD2 ASP A 66 -3.118 19.913 0.252 1.00 0.00 O ATOM 0 H ASP A 66 -5.127 17.139 -0.297 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.720 17.010 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.368 17.052 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.967 17.766 0.591 1.00 0.00 H new ATOM 931 N ALA A 67 -3.106 14.416 0.352 1.00 0.00 N ATOM 932 CA ALA A 67 -2.656 13.046 0.579 1.00 0.00 C ATOM 933 C ALA A 67 -2.900 12.162 -0.652 1.00 0.00 C ATOM 934 O ALA A 67 -2.012 11.444 -1.099 1.00 0.00 O ATOM 935 CB ALA A 67 -3.346 12.471 1.816 1.00 0.00 C ATOM 0 H ALA A 67 -3.896 14.690 0.937 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.580 13.062 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.006 11.448 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.099 13.079 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.426 12.475 1.665 1.00 0.00 H new ATOM 941 N ARG A 68 -4.097 12.201 -1.237 1.00 0.00 N ATOM 942 CA ARG A 68 -4.377 11.444 -2.459 1.00 0.00 C ATOM 943 C ARG A 68 -3.435 11.847 -3.609 1.00 0.00 C ATOM 944 O ARG A 68 -2.906 10.985 -4.310 1.00 0.00 O ATOM 945 CB ARG A 68 -5.871 11.573 -2.811 1.00 0.00 C ATOM 946 CG ARG A 68 -6.732 10.489 -2.138 1.00 0.00 C ATOM 947 CD ARG A 68 -6.971 10.716 -0.637 1.00 0.00 C ATOM 948 NE ARG A 68 -7.549 9.503 -0.020 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.803 9.297 0.401 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.652 10.297 0.587 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.208 8.058 0.653 1.00 0.00 N ATOM 0 H ARG A 68 -4.885 12.746 -0.887 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.172 10.387 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.229 12.557 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.993 11.509 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.696 10.440 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.250 9.521 -2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.031 10.969 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.644 11.561 -0.493 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.907 8.719 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.356 11.257 0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.601 10.107 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.566 7.276 0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.161 7.888 0.974 1.00 0.00 H new ATOM 962 N GLU A 69 -3.147 13.141 -3.743 1.00 0.00 N ATOM 963 CA GLU A 69 -2.146 13.668 -4.660 1.00 0.00 C ATOM 964 C GLU A 69 -0.759 13.118 -4.328 1.00 0.00 C ATOM 965 O GLU A 69 -0.043 12.635 -5.204 1.00 0.00 O ATOM 966 CB GLU A 69 -2.175 15.199 -4.596 1.00 0.00 C ATOM 967 CG GLU A 69 -3.298 15.775 -5.470 1.00 0.00 C ATOM 968 CD GLU A 69 -3.082 15.488 -6.949 1.00 0.00 C ATOM 969 OE1 GLU A 69 -1.940 15.659 -7.430 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.004 14.958 -7.607 1.00 0.00 O ATOM 0 H GLU A 69 -3.617 13.867 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.376 13.351 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.315 15.519 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.215 15.597 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.253 15.353 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.359 16.852 -5.316 1.00 0.00 H new ATOM 975 N LEU A 70 -0.397 13.140 -3.043 1.00 0.00 N ATOM 976 CA LEU A 70 0.848 12.559 -2.564 1.00 0.00 C ATOM 977 C LEU A 70 0.987 11.117 -3.023 1.00 0.00 C ATOM 978 O LEU A 70 2.036 10.699 -3.506 1.00 0.00 O ATOM 979 CB LEU A 70 0.959 12.576 -1.022 1.00 0.00 C ATOM 980 CG LEU A 70 2.283 11.986 -0.505 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.501 12.435 -1.295 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.557 12.379 0.943 1.00 0.00 C ATOM 0 H LEU A 70 -0.964 13.563 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 70 1.642 13.177 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.863 13.603 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.127 12.013 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 70 2.144 10.910 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.397 11.979 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.393 12.128 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.588 13.520 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.501 11.941 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.615 13.465 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.751 12.013 1.578 1.00 0.00 H new ATOM 993 N SER A 71 -0.083 10.332 -2.910 1.00 0.00 N ATOM 994 CA SER A 71 0.057 8.903 -3.014 1.00 0.00 C ATOM 995 C SER A 71 0.572 8.432 -4.380 1.00 0.00 C ATOM 996 O SER A 71 1.105 7.332 -4.506 1.00 0.00 O ATOM 997 CB SER A 71 -1.261 8.218 -2.644 1.00 0.00 C ATOM 998 OG SER A 71 -1.911 8.777 -1.520 1.00 0.00 O ATOM 0 H SER A 71 -1.034 10.664 -2.750 1.00 0.00 H new ATOM 0 HA SER A 71 0.827 8.609 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.935 8.266 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.067 7.163 -2.450 1.00 0.00 H new ATOM 0 HG SER A 71 -1.975 9.749 -1.629 1.00 0.00 H new ATOM 1003 N LYS A 72 0.474 9.295 -5.392 1.00 0.00 N ATOM 1004 CA LYS A 72 1.124 9.083 -6.688 1.00 0.00 C ATOM 1005 C LYS A 72 2.600 8.692 -6.508 1.00 0.00 C ATOM 1006 O LYS A 72 3.086 7.769 -7.153 1.00 0.00 O ATOM 1007 CB LYS A 72 1.007 10.349 -7.547 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.460 10.748 -7.706 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.608 12.047 -8.506 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.096 12.387 -8.652 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.302 13.769 -9.131 1.00 0.00 N ATOM 0 H LYS A 72 -0.059 10.163 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 72 0.618 8.261 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.564 11.163 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.452 10.174 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.003 9.947 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.913 10.872 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.086 12.860 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.151 11.936 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.561 11.689 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.594 12.258 -7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.297 14.040 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.689 14.417 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.066 13.825 -10.142 1.00 0.00 H new ATOM 1021 N THR A 73 3.288 9.369 -5.582 1.00 0.00 N ATOM 1022 CA THR A 73 4.699 9.092 -5.255 1.00 0.00 C ATOM 1023 C THR A 73 4.955 7.861 -4.384 1.00 0.00 C ATOM 1024 O THR A 73 6.107 7.517 -4.127 1.00 0.00 O ATOM 1025 CB THR A 73 5.405 10.310 -4.633 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.778 10.212 -4.938 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.311 10.383 -3.100 1.00 0.00 C ATOM 0 H THR A 73 2.884 10.128 -5.034 1.00 0.00 H new ATOM 0 HA THR A 73 5.128 8.866 -6.231 1.00 0.00 H new ATOM 0 HB THR A 73 4.912 11.192 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.071 9.283 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.835 11.271 -2.745 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.264 10.436 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.768 9.494 -2.665 1.00 0.00 H new ATOM 1035 N PHE A 74 3.886 7.244 -3.894 1.00 0.00 N ATOM 1036 CA PHE A 74 3.874 6.129 -2.954 1.00 0.00 C ATOM 1037 C PHE A 74 3.434 4.836 -3.625 1.00 0.00 C ATOM 1038 O PHE A 74 3.701 3.740 -3.138 1.00 0.00 O ATOM 1039 CB PHE A 74 2.888 6.517 -1.865 1.00 0.00 C ATOM 1040 CG PHE A 74 3.400 7.441 -0.783 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.740 7.885 -0.717 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.496 7.805 0.222 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.141 8.750 0.315 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.882 8.703 1.221 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.180 9.224 1.220 1.00 0.00 C ATOM 0 H PHE A 74 2.943 7.528 -4.160 1.00 0.00 H new ATOM 0 HA PHE A 74 4.873 5.946 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.028 6.991 -2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.528 5.604 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.455 7.560 -1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.498 7.391 0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.175 9.046 0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.181 8.993 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.445 9.999 1.923 1.00 0.00 H new ATOM 1054 N ILE A 75 2.724 4.969 -4.737 1.00 0.00 N ATOM 1055 CA ILE A 75 2.334 3.841 -5.544 1.00 0.00 C ATOM 1056 C ILE A 75 3.530 3.218 -6.246 1.00 0.00 C ATOM 1057 O ILE A 75 4.456 3.894 -6.687 1.00 0.00 O ATOM 1058 CB ILE A 75 1.308 4.335 -6.571 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.028 4.350 -5.834 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.235 3.520 -7.872 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.155 4.708 -6.775 1.00 0.00 C ATOM 0 H ILE A 75 2.406 5.868 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 75 1.902 3.068 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 75 1.605 5.321 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.215 3.372 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.011 5.069 -5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.480 3.951 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.205 3.541 -8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.968 2.489 -7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.098 4.713 -6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.976 5.697 -7.198 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.205 3.973 -7.579 1.00 0.00 H new ATOM 1072 N ILE A 76 3.429 1.905 -6.411 1.00 0.00 N ATOM 1073 CA ILE A 76 4.305 1.108 -7.256 1.00 0.00 C ATOM 1074 C ILE A 76 3.530 0.483 -8.430 1.00 0.00 C ATOM 1075 O ILE A 76 4.143 0.105 -9.430 1.00 0.00 O ATOM 1076 CB ILE A 76 5.033 0.068 -6.404 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.002 -0.880 -5.786 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.876 0.760 -5.324 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.696 -1.961 -4.955 1.00 0.00 C ATOM 0 H ILE A 76 2.712 1.349 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 76 5.059 1.753 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 76 5.713 -0.512 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.313 -0.317 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.408 -1.344 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.389 0.007 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.612 1.410 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.227 1.355 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.947 -2.625 -4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.367 -2.536 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.269 -1.493 -4.155 1.00 0.00 H new ATOM 1090 N GLY A 77 2.194 0.364 -8.320 1.00 0.00 N ATOM 1091 CA GLY A 77 1.327 0.015 -9.441 1.00 0.00 C ATOM 1092 C GLY A 77 -0.053 -0.518 -9.043 1.00 0.00 C ATOM 1093 O GLY A 77 -0.843 0.220 -8.468 1.00 0.00 O ATOM 0 H GLY A 77 1.692 0.509 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.194 0.897 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.829 -0.736 -10.051 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.348 -1.785 -9.362 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.646 -2.453 -9.187 1.00 0.00 C ATOM 1099 C GLU A 78 -1.483 -3.794 -8.469 1.00 0.00 C ATOM 1100 O GLU A 78 -0.415 -4.396 -8.499 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.199 -2.816 -10.570 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.992 -1.703 -11.271 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.458 -1.645 -10.841 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.967 -2.661 -10.319 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -5.080 -0.590 -11.073 1.00 0.00 O ATOM 0 H GLU A 78 0.350 -2.406 -9.771 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.289 -1.778 -8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.367 -3.106 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.843 -3.690 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.520 -0.743 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.942 -1.854 -12.349 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.591 -4.342 -7.977 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.627 -5.674 -7.358 1.00 0.00 C ATOM 1112 C LEU A 79 -2.701 -6.846 -8.309 1.00 0.00 C ATOM 1113 O LEU A 79 -2.916 -7.954 -7.847 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.708 -5.733 -6.269 1.00 0.00 C ATOM 1115 CG LEU A 79 -5.051 -6.374 -6.695 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -5.326 -7.570 -5.801 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.206 -5.400 -6.548 1.00 0.00 C ATOM 0 H LEU A 79 -3.498 -3.875 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.647 -5.799 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.313 -6.290 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.904 -4.719 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.970 -6.666 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.270 -8.031 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.520 -8.296 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.386 -7.242 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.132 -5.885 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.289 -5.088 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.028 -4.527 -7.175 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.540 -6.598 -9.610 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.704 -7.580 -10.671 1.00 0.00 C ATOM 1130 C HIS A 80 -4.173 -7.887 -10.905 1.00 0.00 C ATOM 1131 O HIS A 80 -5.005 -7.835 -9.991 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.847 -8.815 -10.384 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.514 -9.777 -11.489 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.123 -10.959 -11.814 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.424 -9.657 -12.302 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.516 -11.442 -12.909 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.457 -10.689 -13.239 1.00 0.00 N ATOM 0 H HIS A 80 -2.283 -5.675 -9.961 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.341 -7.168 -11.612 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.904 -8.464 -9.966 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.350 -9.383 -9.602 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.335 -8.892 -12.231 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.837 -12.319 -13.451 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.189 -10.840 -14.014 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.548 -8.129 -12.161 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.884 -8.574 -12.430 1.00 0.00 C ATOM 1146 C PRO A 81 -6.106 -10.017 -12.038 1.00 0.00 C ATOM 1147 O PRO A 81 -7.258 -10.405 -11.874 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.064 -8.413 -13.921 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.654 -8.582 -14.484 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.787 -7.964 -13.393 1.00 0.00 C ATOM 0 HA PRO A 81 -6.601 -7.995 -11.848 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.747 -9.161 -14.324 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.479 -7.436 -14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.408 -9.630 -14.653 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.534 -8.068 -15.438 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.820 -8.463 -13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.590 -6.911 -13.596 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.036 -10.790 -11.842 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.257 -12.226 -11.568 1.00 0.00 C ATOM 1157 C ASP A 82 -5.359 -12.472 -10.058 1.00 0.00 C ATOM 1158 O ASP A 82 -4.943 -13.502 -9.534 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.245 -13.105 -12.323 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.745 -14.519 -12.600 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.915 -14.646 -13.022 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.918 -15.441 -12.450 1.00 0.00 O ATOM 0 H ASP A 82 -4.064 -10.481 -11.863 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.221 -12.538 -11.970 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.996 -12.625 -13.270 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.324 -13.162 -11.743 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.889 -11.457 -9.372 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.887 -11.326 -7.943 1.00 0.00 C ATOM 1168 C ASP A 83 -7.127 -10.518 -7.533 1.00 0.00 C ATOM 1169 O ASP A 83 -8.014 -11.013 -6.842 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.552 -10.634 -7.673 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.991 -11.066 -6.343 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.783 -11.092 -5.381 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.782 -11.391 -6.323 1.00 0.00 O ATOM 0 H ASP A 83 -6.350 -10.674 -9.836 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.955 -12.250 -7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.845 -10.873 -8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.688 -9.553 -7.683 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.190 -9.307 -8.095 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.279 -8.343 -8.072 1.00 0.00 C ATOM 1179 C ARG A 84 -9.192 -8.294 -6.828 1.00 0.00 C ATOM 1180 O ARG A 84 -10.352 -8.754 -6.934 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.059 -8.432 -9.383 1.00 0.00 C ATOM 1182 CG ARG A 84 -9.711 -7.072 -9.642 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.987 -6.310 -10.755 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.544 -6.200 -10.448 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.799 -5.095 -10.371 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.245 -3.895 -10.701 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.548 -5.178 -9.963 1.00 0.00 N ATOM 1188 OXT ARG A 84 -8.758 -7.678 -5.830 1.00 0.00 O ATOM 0 H ARG A 84 -6.398 -8.948 -8.628 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.784 -7.377 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.394 -8.698 -10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.818 -9.212 -9.322 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.756 -7.214 -9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.699 -6.481 -8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.125 -6.824 -11.706 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.419 -5.315 -10.865 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.057 -7.079 -10.273 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.202 -3.780 -11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.632 -3.084 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.154 -6.084 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.974 -4.337 -9.902 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.401 8.361 6.593 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.047 11.044 8.667 1.00 0.00 C HETATM 1202 CHB HEM A 201 -0.901 10.545 4.292 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.237 5.814 4.254 1.00 0.00 C HETATM 1204 CHD HEM A 201 -3.923 6.226 8.868 1.00 0.00 C HETATM 1205 NA HEM A 201 -1.940 10.389 6.546 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.342 11.276 7.492 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.030 12.598 7.014 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.312 12.458 5.850 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.347 11.057 5.505 1.00 0.00 C HETATM 1210 CMA HEM A 201 -0.726 13.578 5.025 1.00 0.00 C HETATM 1211 CAA HEM A 201 -2.680 13.863 7.523 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.165 13.935 7.182 1.00 0.00 C HETATM 1213 CGA HEM A 201 -4.458 14.121 5.690 1.00 0.00 C HETATM 1214 O1A HEM A 201 -5.380 13.439 5.191 1.00 0.00 O HETATM 1215 O2A HEM A 201 -3.775 14.953 5.055 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.623 8.188 4.678 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.052 9.208 3.939 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.717 8.681 2.638 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.044 7.347 2.680 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.683 7.050 3.930 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.383 9.512 1.417 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.545 6.273 1.741 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.957 6.240 0.463 1.00 0.00 C HETATM 1224 NC HEM A 201 -2.999 6.396 6.551 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.847 5.551 5.475 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.470 4.295 5.812 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.836 4.405 7.131 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.600 5.746 7.593 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.734 3.137 4.877 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.311 3.276 8.011 1.00 0.00 C HETATM 1231 CBC HEM A 201 -5.535 2.743 7.835 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.279 8.589 8.477 1.00 0.00 N HETATM 1233 C1D HEM A 201 -3.809 7.577 9.217 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.292 8.159 10.448 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.157 9.528 10.339 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.437 9.781 9.113 1.00 0.00 C HETATM 1237 CMD HEM A 201 -4.901 7.406 11.602 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.686 10.584 11.294 1.00 0.00 C HETATM 1239 CBD HEM A 201 -6.139 10.423 11.731 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.589 11.603 12.581 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.686 12.708 12.003 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.803 11.382 13.791 1.00 0.00 O HETATM 0 HMA1 HEM A 201 0.101 13.195 4.427 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -0.362 14.365 5.686 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -1.493 13.984 4.366 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.308 8.961 0.780 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.080 10.448 1.729 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.296 9.726 0.862 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.894 3.514 3.867 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.622 2.597 5.208 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.877 2.463 4.881 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -4.689 7.933 12.532 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -4.475 6.404 11.647 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -5.980 7.336 11.462 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.592 5.462 -0.207 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.656 6.991 0.096 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -5.871 1.927 8.475 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -6.189 3.127 7.053 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -4.614 14.760 7.735 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -4.650 13.021 7.525 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.170 14.727 7.096 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -2.556 13.922 8.604 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -6.251 9.499 12.298 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -6.779 10.338 10.853 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -4.575 11.560 10.822 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.058 10.587 12.185 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.310 11.897 9.275 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.417 11.213 3.595 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.190 5.022 3.521 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.274 5.526 9.612 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.154 5.520 2.104 1.00 0.00 H new HETATM 0 HAC HEM A 201 -3.659 2.889 8.794 1.00 0.00 H new