USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 74:sc= 0.157 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -1.84 (180deg=-1.84) USER MOD Set 2.1: A 35 TYR OH : rot 50:sc= -1.74 USER MOD Set 2.2: A 95 HEM CMA :methyl -30:sc= -0.258 (180deg=-1.89!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -2.86! C(o=-1.7!,f=-6.2!) USER MOD Set 3.2: A 30 TYR OH : rot 106:sc= 1.13 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -15:sc= -1.41 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 13 GLN : amide:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -4.61! C(o=-4.6!,f=-7.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 20 SER OG : rot 170:sc= 0 USER MOD Single : A 21 THR OG1 : rot 65:sc= 1.01 USER MOD Single : A 27 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-6.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 120:sc= 1.01 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc=-0.00837 (180deg=-0.148) USER MOD Single : A 49 GLN : amide:sc= 0.606 K(o=0.61,f=-0.88) USER MOD Single : A 55 THR OG1 : rot 54:sc= 0.211 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.752 USER MOD Single : A 80 HIS : no HE2:sc= 0.177 K(o=0.18,f=-6.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.39! (180deg=-5.96!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -8.13! (180deg=-13.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 2.889 -0.554 -7.655 1.00 0.00 N ATOM 2 CA VAL A 4 3.558 0.654 -8.106 1.00 0.00 C ATOM 3 C VAL A 4 2.526 1.770 -8.282 1.00 0.00 C ATOM 4 O VAL A 4 1.322 1.520 -8.228 1.00 0.00 O ATOM 5 CB VAL A 4 4.351 0.366 -9.384 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.480 0.569 -10.626 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.613 1.228 -9.452 1.00 0.00 C ATOM 0 HA VAL A 4 4.278 0.993 -7.361 1.00 0.00 H new ATOM 0 HB VAL A 4 4.661 -0.679 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.067 0.358 -11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.625 -0.106 -10.585 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.127 1.600 -10.658 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.158 1.004 -10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.335 2.282 -9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.247 1.013 -8.592 1.00 0.00 H new ATOM 17 N LYS A 5 3.034 2.975 -8.490 1.00 0.00 N ATOM 18 CA LYS A 5 2.170 4.130 -8.673 1.00 0.00 C ATOM 19 C LYS A 5 2.279 4.617 -10.119 1.00 0.00 C ATOM 20 O LYS A 5 3.364 4.970 -10.579 1.00 0.00 O ATOM 21 CB LYS A 5 2.489 5.207 -7.635 1.00 0.00 C ATOM 22 CG LYS A 5 1.335 6.204 -7.507 1.00 0.00 C ATOM 23 CD LYS A 5 0.146 5.576 -6.777 1.00 0.00 C ATOM 24 CE LYS A 5 -0.882 5.030 -7.771 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.145 5.795 -7.683 1.00 0.00 N ATOM 0 H LYS A 5 4.033 3.178 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 5 1.128 3.858 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.680 4.740 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.400 5.734 -7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.672 7.088 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.024 6.535 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.496 4.771 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.324 6.320 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.484 5.089 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.073 3.977 -7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.831 5.412 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.532 5.717 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.961 6.795 -7.903 1.00 0.00 H new ATOM 39 N TYR A 6 1.140 4.620 -10.796 1.00 0.00 N ATOM 40 CA TYR A 6 1.094 5.059 -12.180 1.00 0.00 C ATOM 41 C TYR A 6 0.560 6.489 -12.284 1.00 0.00 C ATOM 42 O TYR A 6 -0.573 6.764 -11.894 1.00 0.00 O ATOM 43 CB TYR A 6 0.124 4.113 -12.891 1.00 0.00 C ATOM 44 CG TYR A 6 0.544 2.643 -12.846 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.817 2.277 -13.240 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.346 1.681 -12.414 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.212 0.893 -13.199 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.050 0.298 -12.374 1.00 0.00 C ATOM 49 CZ TYR A 6 1.310 -0.028 -12.767 1.00 0.00 C ATOM 50 OH TYR A 6 1.684 -1.335 -12.729 1.00 0.00 O ATOM 0 H TYR A 6 0.242 4.325 -10.412 1.00 0.00 H new ATOM 0 HA TYR A 6 2.091 5.044 -12.620 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.862 4.213 -12.438 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.029 4.422 -13.932 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.515 3.028 -13.578 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.341 1.966 -12.106 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.203 0.593 -13.505 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.638 -0.464 -12.039 1.00 0.00 H new ATOM 0 HH TYR A 6 0.939 -1.879 -12.399 1.00 0.00 H new ATOM 60 N TYR A 7 1.403 7.364 -12.815 1.00 0.00 N ATOM 61 CA TYR A 7 1.030 8.759 -12.975 1.00 0.00 C ATOM 62 C TYR A 7 0.775 9.092 -14.447 1.00 0.00 C ATOM 63 O TYR A 7 1.228 8.375 -15.336 1.00 0.00 O ATOM 64 CB TYR A 7 2.227 9.575 -12.480 1.00 0.00 C ATOM 65 CG TYR A 7 2.734 9.159 -11.098 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.892 9.219 -10.007 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.035 8.726 -10.943 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.369 8.828 -8.707 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.513 8.335 -9.641 1.00 0.00 C ATOM 70 CZ TYR A 7 3.656 8.405 -8.588 1.00 0.00 C ATOM 71 OH TYR A 7 4.107 8.036 -7.359 1.00 0.00 O ATOM 0 H TYR A 7 2.342 7.133 -13.139 1.00 0.00 H new ATOM 0 HA TYR A 7 0.117 8.979 -12.422 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.041 9.479 -13.198 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.949 10.629 -12.452 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.874 9.560 -10.129 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.695 8.680 -11.797 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.720 8.870 -7.845 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.529 7.994 -9.505 1.00 0.00 H new ATOM 0 HH TYR A 7 3.486 8.357 -6.673 1.00 0.00 H new ATOM 81 N THR A 8 0.049 10.181 -14.657 1.00 0.00 N ATOM 82 CA THR A 8 -0.272 10.618 -16.004 1.00 0.00 C ATOM 83 C THR A 8 0.799 11.579 -16.523 1.00 0.00 C ATOM 84 O THR A 8 1.372 12.350 -15.753 1.00 0.00 O ATOM 85 CB THR A 8 -1.676 11.226 -15.982 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.733 11.921 -14.740 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.772 10.165 -15.866 1.00 0.00 C ATOM 0 H THR A 8 -0.326 10.773 -13.916 1.00 0.00 H new ATOM 0 HA THR A 8 -0.276 9.780 -16.701 1.00 0.00 H new ATOM 0 HB THR A 8 -1.832 11.811 -16.888 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.610 12.347 -14.644 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.748 10.650 -15.855 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.714 9.487 -16.717 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.636 9.601 -14.943 1.00 0.00 H new ATOM 95 N LEU A 9 1.037 11.504 -17.824 1.00 0.00 N ATOM 96 CA LEU A 9 2.029 12.357 -18.454 1.00 0.00 C ATOM 97 C LEU A 9 1.763 13.814 -18.066 1.00 0.00 C ATOM 98 O LEU A 9 2.655 14.656 -18.156 1.00 0.00 O ATOM 99 CB LEU A 9 2.057 12.120 -19.965 1.00 0.00 C ATOM 100 CG LEU A 9 1.037 12.910 -20.788 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.272 12.715 -22.287 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.393 12.548 -20.380 1.00 0.00 C ATOM 0 H LEU A 9 0.559 10.865 -18.459 1.00 0.00 H new ATOM 0 HA LEU A 9 3.028 12.108 -18.096 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.055 12.361 -20.332 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.898 11.058 -20.149 1.00 0.00 H new ATOM 0 HG LEU A 9 1.175 13.970 -20.577 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.534 13.287 -22.849 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.273 13.061 -22.546 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.177 11.658 -22.536 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.099 13.123 -20.979 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.560 11.483 -20.544 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.540 12.780 -19.325 1.00 0.00 H new ATOM 114 N GLU A 10 0.533 14.064 -17.641 1.00 0.00 N ATOM 115 CA GLU A 10 0.139 15.403 -17.238 1.00 0.00 C ATOM 116 C GLU A 10 0.936 15.844 -16.008 1.00 0.00 C ATOM 117 O GLU A 10 1.264 17.021 -15.865 1.00 0.00 O ATOM 118 CB GLU A 10 -1.366 15.475 -16.970 1.00 0.00 C ATOM 119 CG GLU A 10 -2.032 16.523 -17.865 1.00 0.00 C ATOM 120 CD GLU A 10 -3.544 16.557 -17.636 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.239 15.768 -18.311 1.00 0.00 O ATOM 122 OE2 GLU A 10 -3.972 17.374 -16.791 1.00 0.00 O ATOM 0 H GLU A 10 -0.203 13.362 -17.567 1.00 0.00 H new ATOM 0 HA GLU A 10 0.362 16.087 -18.056 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.818 14.499 -17.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.541 15.721 -15.923 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.607 17.505 -17.659 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.824 16.299 -18.911 1.00 0.00 H new ATOM 129 N GLU A 11 1.223 14.875 -15.151 1.00 0.00 N ATOM 130 CA GLU A 11 1.976 15.147 -13.939 1.00 0.00 C ATOM 131 C GLU A 11 3.354 15.713 -14.285 1.00 0.00 C ATOM 132 O GLU A 11 3.591 16.912 -14.145 1.00 0.00 O ATOM 133 CB GLU A 11 2.100 13.890 -13.076 1.00 0.00 C ATOM 134 CG GLU A 11 1.376 14.069 -11.740 1.00 0.00 C ATOM 135 CD GLU A 11 0.073 13.265 -11.711 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.948 13.823 -12.167 1.00 0.00 O ATOM 137 OE2 GLU A 11 0.128 12.112 -11.232 1.00 0.00 O ATOM 0 H GLU A 11 0.947 13.900 -15.272 1.00 0.00 H new ATOM 0 HA GLU A 11 1.434 15.894 -13.359 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.682 13.036 -13.609 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.152 13.670 -12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.024 13.748 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.160 15.125 -11.578 1.00 0.00 H new ATOM 144 N ILE A 12 4.229 14.824 -14.729 1.00 0.00 N ATOM 145 CA ILE A 12 5.578 15.218 -15.096 1.00 0.00 C ATOM 146 C ILE A 12 5.546 16.624 -15.701 1.00 0.00 C ATOM 147 O ILE A 12 6.380 17.466 -15.370 1.00 0.00 O ATOM 148 CB ILE A 12 6.215 14.170 -16.010 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.143 13.350 -16.732 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.188 13.282 -15.232 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.867 12.038 -15.996 1.00 0.00 C ATOM 0 H ILE A 12 4.030 13.830 -14.843 1.00 0.00 H new ATOM 0 HA ILE A 12 6.215 15.263 -14.212 1.00 0.00 H new ATOM 0 HB ILE A 12 6.794 14.689 -16.774 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.223 13.931 -16.804 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.467 13.138 -17.751 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.627 12.546 -15.906 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.979 13.898 -14.803 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.653 12.769 -14.433 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.102 11.475 -16.530 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.783 11.449 -15.947 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.520 12.254 -14.986 1.00 0.00 H new ATOM 163 N GLN A 13 4.576 16.834 -16.578 1.00 0.00 N ATOM 164 CA GLN A 13 4.424 18.122 -17.233 1.00 0.00 C ATOM 165 C GLN A 13 4.323 19.238 -16.191 1.00 0.00 C ATOM 166 O GLN A 13 5.184 20.114 -16.130 1.00 0.00 O ATOM 167 CB GLN A 13 3.207 18.126 -18.160 1.00 0.00 C ATOM 168 CG GLN A 13 3.513 17.395 -19.468 1.00 0.00 C ATOM 169 CD GLN A 13 3.404 18.341 -20.665 1.00 0.00 C ATOM 170 OE1 GLN A 13 4.227 19.217 -20.873 1.00 0.00 O ATOM 171 NE2 GLN A 13 2.344 18.117 -21.437 1.00 0.00 N ATOM 0 H GLN A 13 3.887 16.133 -16.851 1.00 0.00 H new ATOM 0 HA GLN A 13 5.307 18.302 -17.846 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.364 17.649 -17.661 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.911 19.153 -18.374 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.516 16.971 -19.425 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.821 16.563 -19.594 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.694 17.366 -21.205 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.182 18.696 -22.261 1.00 0.00 H new ATOM 180 N LYS A 14 3.265 19.169 -15.397 1.00 0.00 N ATOM 181 CA LYS A 14 3.041 20.164 -14.361 1.00 0.00 C ATOM 182 C LYS A 14 4.184 20.103 -13.347 1.00 0.00 C ATOM 183 O LYS A 14 4.465 21.087 -12.664 1.00 0.00 O ATOM 184 CB LYS A 14 1.655 19.982 -13.737 1.00 0.00 C ATOM 185 CG LYS A 14 1.512 18.593 -13.113 1.00 0.00 C ATOM 186 CD LYS A 14 0.145 18.429 -12.445 1.00 0.00 C ATOM 187 CE LYS A 14 -0.980 18.465 -13.482 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.819 19.669 -13.294 1.00 0.00 N ATOM 0 H LYS A 14 2.553 18.440 -15.450 1.00 0.00 H new ATOM 0 HA LYS A 14 3.046 21.167 -14.787 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.492 20.745 -12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.888 20.123 -14.499 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.639 17.831 -13.882 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.301 18.438 -12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.113 17.485 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.004 19.223 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.557 18.462 -14.487 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.594 17.569 -13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.577 19.678 -14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.237 19.655 -12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.233 20.521 -13.402 1.00 0.00 H new ATOM 202 N HIS A 15 4.815 18.940 -13.281 1.00 0.00 N ATOM 203 CA HIS A 15 5.922 18.740 -12.363 1.00 0.00 C ATOM 204 C HIS A 15 7.244 19.001 -13.087 1.00 0.00 C ATOM 205 O HIS A 15 8.197 18.237 -12.943 1.00 0.00 O ATOM 206 CB HIS A 15 5.858 17.348 -11.730 1.00 0.00 C ATOM 207 CG HIS A 15 4.564 17.062 -11.007 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.010 17.934 -10.087 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.721 15.992 -11.080 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.884 17.402 -9.632 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.708 16.198 -10.248 1.00 0.00 N ATOM 0 H HIS A 15 4.580 18.126 -13.849 1.00 0.00 H new ATOM 0 HA HIS A 15 5.851 19.453 -11.542 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.001 16.599 -12.509 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.686 17.240 -11.029 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.401 18.833 -9.806 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.855 15.124 -11.709 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.222 17.844 -8.902 1.00 0.00 H new ATOM 219 N LYS A 16 7.259 20.084 -13.851 1.00 0.00 N ATOM 220 CA LYS A 16 8.449 20.455 -14.598 1.00 0.00 C ATOM 221 C LYS A 16 9.061 21.714 -13.981 1.00 0.00 C ATOM 222 O LYS A 16 9.701 22.502 -14.676 1.00 0.00 O ATOM 223 CB LYS A 16 8.124 20.597 -16.087 1.00 0.00 C ATOM 224 CG LYS A 16 9.384 20.442 -16.940 1.00 0.00 C ATOM 225 CD LYS A 16 9.466 21.541 -18.002 1.00 0.00 C ATOM 226 CE LYS A 16 8.585 21.207 -19.206 1.00 0.00 C ATOM 227 NZ LYS A 16 7.833 22.404 -19.646 1.00 0.00 N ATOM 0 H LYS A 16 6.467 20.716 -13.969 1.00 0.00 H new ATOM 0 HA LYS A 16 9.201 19.668 -14.532 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.390 19.845 -16.376 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.672 21.571 -16.273 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.267 20.482 -16.302 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.383 19.465 -17.422 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.153 22.492 -17.571 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.500 21.662 -18.326 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.203 20.837 -20.024 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.890 20.409 -18.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.240 22.160 -20.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.229 22.740 -18.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.501 23.154 -19.914 1.00 0.00 H new ATOM 241 N ASP A 17 8.844 21.864 -12.682 1.00 0.00 N ATOM 242 CA ASP A 17 9.366 23.013 -11.963 1.00 0.00 C ATOM 243 C ASP A 17 10.111 22.534 -10.716 1.00 0.00 C ATOM 244 O ASP A 17 10.036 21.359 -10.357 1.00 0.00 O ATOM 245 CB ASP A 17 8.237 23.941 -11.513 1.00 0.00 C ATOM 246 CG ASP A 17 8.116 25.244 -12.305 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.505 25.225 -13.493 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.635 26.230 -11.705 1.00 0.00 O ATOM 0 H ASP A 17 8.313 21.208 -12.109 1.00 0.00 H new ATOM 0 HA ASP A 17 10.032 23.556 -12.634 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.293 23.401 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.385 24.185 -10.461 1.00 0.00 H new ATOM 253 N SER A 18 10.812 23.466 -10.089 1.00 0.00 N ATOM 254 CA SER A 18 11.569 23.153 -8.890 1.00 0.00 C ATOM 255 C SER A 18 10.652 22.522 -7.841 1.00 0.00 C ATOM 256 O SER A 18 10.975 21.478 -7.276 1.00 0.00 O ATOM 257 CB SER A 18 12.242 24.405 -8.320 1.00 0.00 C ATOM 258 OG SER A 18 13.463 24.098 -7.653 1.00 0.00 O ATOM 0 H SER A 18 10.872 24.439 -10.389 1.00 0.00 H new ATOM 0 HA SER A 18 12.350 22.441 -9.156 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.437 25.111 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.562 24.897 -7.624 1.00 0.00 H new ATOM 0 HG SER A 18 13.862 24.923 -7.305 1.00 0.00 H new ATOM 264 N LYS A 19 9.526 23.181 -7.612 1.00 0.00 N ATOM 265 CA LYS A 19 8.559 22.698 -6.641 1.00 0.00 C ATOM 266 C LYS A 19 8.406 21.182 -6.791 1.00 0.00 C ATOM 267 O LYS A 19 8.566 20.440 -5.825 1.00 0.00 O ATOM 268 CB LYS A 19 7.241 23.464 -6.770 1.00 0.00 C ATOM 269 CG LYS A 19 6.203 22.941 -5.774 1.00 0.00 C ATOM 270 CD LYS A 19 4.902 22.563 -6.487 1.00 0.00 C ATOM 271 CE LYS A 19 4.002 23.787 -6.669 1.00 0.00 C ATOM 272 NZ LYS A 19 2.627 23.371 -7.022 1.00 0.00 N ATOM 0 H LYS A 19 9.261 24.046 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 19 8.912 22.885 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.415 24.526 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.857 23.366 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.601 22.072 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.001 23.702 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.129 22.126 -7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.375 21.802 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.986 24.374 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.406 24.430 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.029 24.214 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.645 22.830 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.238 22.776 -6.262 1.00 0.00 H new ATOM 286 N SER A 20 8.098 20.769 -8.012 1.00 0.00 N ATOM 287 CA SER A 20 7.922 19.356 -8.303 1.00 0.00 C ATOM 288 C SER A 20 8.684 18.985 -9.575 1.00 0.00 C ATOM 289 O SER A 20 8.138 19.065 -10.675 1.00 0.00 O ATOM 290 CB SER A 20 6.440 19.005 -8.448 1.00 0.00 C ATOM 291 OG SER A 20 5.808 18.821 -7.185 1.00 0.00 O ATOM 0 H SER A 20 7.966 21.389 -8.811 1.00 0.00 H new ATOM 0 HA SER A 20 8.323 18.781 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.932 19.799 -8.995 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.339 18.095 -9.039 1.00 0.00 H new ATOM 0 HG SER A 20 4.838 18.759 -7.311 1.00 0.00 H new ATOM 297 N THR A 21 9.932 18.585 -9.384 1.00 0.00 N ATOM 298 CA THR A 21 10.774 18.201 -10.504 1.00 0.00 C ATOM 299 C THR A 21 10.753 16.682 -10.692 1.00 0.00 C ATOM 300 O THR A 21 11.272 15.943 -9.858 1.00 0.00 O ATOM 301 CB THR A 21 12.176 18.762 -10.257 1.00 0.00 C ATOM 302 OG1 THR A 21 12.091 20.115 -10.697 1.00 0.00 O ATOM 303 CG2 THR A 21 13.228 18.136 -11.175 1.00 0.00 C ATOM 0 H THR A 21 10.381 18.518 -8.470 1.00 0.00 H new ATOM 0 HA THR A 21 10.401 18.619 -11.439 1.00 0.00 H new ATOM 0 HB THR A 21 12.456 18.593 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.461 20.605 -10.129 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.204 18.569 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.263 17.060 -11.007 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.967 18.333 -12.215 1.00 0.00 H new ATOM 311 N TRP A 22 10.144 16.262 -11.792 1.00 0.00 N ATOM 312 CA TRP A 22 10.048 14.846 -12.098 1.00 0.00 C ATOM 313 C TRP A 22 10.774 14.597 -13.422 1.00 0.00 C ATOM 314 O TRP A 22 10.977 15.524 -14.206 1.00 0.00 O ATOM 315 CB TRP A 22 8.587 14.388 -12.124 1.00 0.00 C ATOM 316 CG TRP A 22 8.049 13.950 -10.761 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.560 14.209 -9.550 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.866 13.160 -10.517 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.797 13.645 -8.548 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.733 12.988 -9.155 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.938 12.610 -11.419 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.685 12.265 -8.572 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.897 11.890 -10.821 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.749 11.707 -9.451 1.00 0.00 C ATOM 0 H TRP A 22 9.713 16.878 -12.481 1.00 0.00 H new ATOM 0 HA TRP A 22 10.527 14.251 -11.320 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.968 15.201 -12.503 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.489 13.559 -12.825 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.456 14.787 -9.379 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.980 13.700 -7.546 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.022 12.733 -12.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.603 12.144 -7.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.157 11.445 -11.470 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.916 11.137 -9.067 1.00 0.00 H new ATOM 335 N VAL A 23 11.147 13.343 -13.630 1.00 0.00 N ATOM 336 CA VAL A 23 11.847 12.962 -14.845 1.00 0.00 C ATOM 337 C VAL A 23 11.607 11.477 -15.122 1.00 0.00 C ATOM 338 O VAL A 23 11.925 10.628 -14.291 1.00 0.00 O ATOM 339 CB VAL A 23 13.331 13.316 -14.726 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.975 12.592 -13.542 1.00 0.00 C ATOM 341 CG2 VAL A 23 14.074 13.007 -16.028 1.00 0.00 C ATOM 0 H VAL A 23 10.978 12.578 -12.977 1.00 0.00 H new ATOM 0 HA VAL A 23 11.461 13.518 -15.699 1.00 0.00 H new ATOM 0 HB VAL A 23 13.406 14.388 -14.543 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.029 12.861 -13.481 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.472 12.883 -12.620 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.883 11.515 -13.681 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.127 13.268 -15.917 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.985 11.944 -16.254 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.640 13.589 -16.841 1.00 0.00 H new ATOM 351 N ILE A 24 11.049 11.209 -16.293 1.00 0.00 N ATOM 352 CA ILE A 24 10.763 9.841 -16.690 1.00 0.00 C ATOM 353 C ILE A 24 12.077 9.115 -16.987 1.00 0.00 C ATOM 354 O ILE A 24 12.746 9.415 -17.975 1.00 0.00 O ATOM 355 CB ILE A 24 9.770 9.818 -17.855 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.484 10.564 -17.494 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.493 8.383 -18.310 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.788 11.093 -18.749 1.00 0.00 C ATOM 0 H ILE A 24 10.787 11.916 -16.980 1.00 0.00 H new ATOM 0 HA ILE A 24 10.278 9.302 -15.877 1.00 0.00 H new ATOM 0 HB ILE A 24 10.220 10.342 -18.698 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.812 9.897 -16.954 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.715 11.393 -16.825 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.785 8.394 -19.138 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.424 7.918 -18.635 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.073 7.813 -17.481 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.877 11.619 -18.465 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.454 11.778 -19.273 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.536 10.259 -19.404 1.00 0.00 H new ATOM 370 N LEU A 25 12.406 8.174 -16.114 1.00 0.00 N ATOM 371 CA LEU A 25 13.628 7.404 -16.271 1.00 0.00 C ATOM 372 C LEU A 25 13.275 5.925 -16.441 1.00 0.00 C ATOM 373 O LEU A 25 12.582 5.348 -15.603 1.00 0.00 O ATOM 374 CB LEU A 25 14.586 7.678 -15.109 1.00 0.00 C ATOM 375 CG LEU A 25 15.779 8.584 -15.423 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.348 9.782 -16.271 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.491 9.015 -14.140 1.00 0.00 C ATOM 0 H LEU A 25 11.848 7.928 -15.296 1.00 0.00 H new ATOM 0 HA LEU A 25 14.159 7.711 -17.172 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.018 8.127 -14.294 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.966 6.724 -14.744 1.00 0.00 H new ATOM 0 HG LEU A 25 16.497 8.014 -16.013 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.214 10.410 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.921 9.429 -17.209 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.602 10.362 -15.728 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.335 9.658 -14.391 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.795 9.561 -13.504 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.851 8.133 -13.610 1.00 0.00 H new ATOM 389 N HIS A 26 13.766 5.354 -17.530 1.00 0.00 N ATOM 390 CA HIS A 26 13.512 3.954 -17.821 1.00 0.00 C ATOM 391 C HIS A 26 12.066 3.609 -17.457 1.00 0.00 C ATOM 392 O HIS A 26 11.804 2.567 -16.857 1.00 0.00 O ATOM 393 CB HIS A 26 14.530 3.057 -17.115 1.00 0.00 C ATOM 394 CG HIS A 26 15.315 3.755 -16.030 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.213 4.775 -16.291 1.00 0.00 N ATOM 396 CD2 HIS A 26 15.324 3.571 -14.678 1.00 0.00 C ATOM 397 CE1 HIS A 26 16.735 5.178 -15.142 1.00 0.00 C ATOM 398 NE2 HIS A 26 16.184 4.431 -14.144 1.00 0.00 N ATOM 0 H HIS A 26 14.339 5.836 -18.222 1.00 0.00 H new ATOM 0 HA HIS A 26 13.636 3.773 -18.889 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.008 2.204 -16.680 1.00 0.00 H new ATOM 0 HB3 HIS A 26 15.225 2.661 -17.855 1.00 0.00 H new ATOM 0 HD1 HIS A 26 16.435 5.153 -17.212 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.733 2.849 -14.135 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.468 5.961 -15.018 1.00 0.00 H new ATOM 406 N HIS A 27 11.164 4.503 -17.835 1.00 0.00 N ATOM 407 CA HIS A 27 9.752 4.306 -17.556 1.00 0.00 C ATOM 408 C HIS A 27 9.513 4.380 -16.047 1.00 0.00 C ATOM 409 O HIS A 27 8.867 3.505 -15.473 1.00 0.00 O ATOM 410 CB HIS A 27 9.253 2.998 -18.172 1.00 0.00 C ATOM 411 CG HIS A 27 9.200 3.012 -19.681 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.142 3.662 -20.459 1.00 0.00 N ATOM 413 CD2 HIS A 27 8.308 2.448 -20.546 1.00 0.00 C ATOM 414 CE1 HIS A 27 9.821 3.490 -21.734 1.00 0.00 C ATOM 415 NE2 HIS A 27 8.684 2.739 -21.785 1.00 0.00 N ATOM 0 H HIS A 27 11.384 5.366 -18.332 1.00 0.00 H new ATOM 0 HA HIS A 27 9.171 5.103 -18.021 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.903 2.185 -17.849 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.257 2.783 -17.785 1.00 0.00 H new ATOM 0 HD1 HIS A 27 10.946 4.184 -20.111 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.443 1.864 -20.269 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.365 3.877 -22.583 1.00 0.00 H new ATOM 423 N LYS A 28 10.046 5.434 -15.446 1.00 0.00 N ATOM 424 CA LYS A 28 9.899 5.633 -14.014 1.00 0.00 C ATOM 425 C LYS A 28 10.297 7.067 -13.659 1.00 0.00 C ATOM 426 O LYS A 28 11.453 7.453 -13.825 1.00 0.00 O ATOM 427 CB LYS A 28 10.679 4.568 -13.241 1.00 0.00 C ATOM 428 CG LYS A 28 9.795 3.360 -12.927 1.00 0.00 C ATOM 429 CD LYS A 28 10.222 2.695 -11.616 1.00 0.00 C ATOM 430 CE LYS A 28 11.310 1.648 -11.861 1.00 0.00 C ATOM 431 NZ LYS A 28 10.712 0.303 -12.005 1.00 0.00 N ATOM 0 H LYS A 28 10.580 6.159 -15.925 1.00 0.00 H new ATOM 0 HA LYS A 28 8.858 5.508 -13.717 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.542 4.249 -13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.061 4.994 -12.313 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.754 3.675 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.856 2.639 -13.742 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.590 3.452 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.359 2.224 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.871 1.901 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.019 1.651 -11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.464 -0.396 -12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.197 0.057 -11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.054 0.300 -12.810 1.00 0.00 H new ATOM 445 N VAL A 29 9.318 7.818 -13.177 1.00 0.00 N ATOM 446 CA VAL A 29 9.553 9.201 -12.798 1.00 0.00 C ATOM 447 C VAL A 29 10.439 9.239 -11.552 1.00 0.00 C ATOM 448 O VAL A 29 10.285 8.418 -10.650 1.00 0.00 O ATOM 449 CB VAL A 29 8.218 9.924 -12.604 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.316 9.746 -13.827 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.516 9.447 -11.331 1.00 0.00 C ATOM 0 H VAL A 29 8.360 7.495 -13.040 1.00 0.00 H new ATOM 0 HA VAL A 29 10.082 9.730 -13.590 1.00 0.00 H new ATOM 0 HB VAL A 29 8.426 10.988 -12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.374 10.269 -13.664 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.811 10.156 -14.707 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.120 8.685 -13.983 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.570 9.976 -11.217 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.326 8.376 -11.400 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.151 9.648 -10.468 1.00 0.00 H new ATOM 461 N TYR A 30 11.349 10.202 -11.542 1.00 0.00 N ATOM 462 CA TYR A 30 12.261 10.360 -10.421 1.00 0.00 C ATOM 463 C TYR A 30 12.064 11.715 -9.740 1.00 0.00 C ATOM 464 O TYR A 30 12.440 12.750 -10.289 1.00 0.00 O ATOM 465 CB TYR A 30 13.670 10.299 -11.012 1.00 0.00 C ATOM 466 CG TYR A 30 14.255 8.886 -11.084 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.451 7.794 -10.831 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.585 8.706 -11.402 1.00 0.00 C ATOM 469 CE1 TYR A 30 14.001 6.465 -10.898 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.136 7.377 -11.470 1.00 0.00 C ATOM 471 CZ TYR A 30 15.316 6.322 -11.214 1.00 0.00 C ATOM 472 OH TYR A 30 15.836 5.067 -11.279 1.00 0.00 O ATOM 0 H TYR A 30 11.475 10.881 -12.293 1.00 0.00 H new ATOM 0 HA TYR A 30 12.088 9.586 -9.673 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.651 10.725 -12.015 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.331 10.925 -10.413 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.410 7.936 -10.583 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.213 9.562 -11.600 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.383 5.601 -10.702 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.176 7.222 -11.718 1.00 0.00 H new ATOM 0 HH TYR A 30 15.982 4.821 -12.216 1.00 0.00 H new ATOM 482 N ASP A 31 11.475 11.666 -8.554 1.00 0.00 N ATOM 483 CA ASP A 31 11.225 12.878 -7.792 1.00 0.00 C ATOM 484 C ASP A 31 12.532 13.354 -7.155 1.00 0.00 C ATOM 485 O ASP A 31 12.793 13.076 -5.986 1.00 0.00 O ATOM 486 CB ASP A 31 10.216 12.624 -6.670 1.00 0.00 C ATOM 487 CG ASP A 31 9.757 13.875 -5.918 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.406 14.925 -6.114 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.768 13.753 -5.163 1.00 0.00 O ATOM 0 H ASP A 31 11.164 10.806 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 31 10.825 13.629 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.341 12.131 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.658 11.930 -5.955 1.00 0.00 H new ATOM 494 N LEU A 32 13.317 14.064 -7.951 1.00 0.00 N ATOM 495 CA LEU A 32 14.590 14.581 -7.480 1.00 0.00 C ATOM 496 C LEU A 32 14.439 16.066 -7.144 1.00 0.00 C ATOM 497 O LEU A 32 15.356 16.854 -7.372 1.00 0.00 O ATOM 498 CB LEU A 32 15.697 14.290 -8.495 1.00 0.00 C ATOM 499 CG LEU A 32 15.537 14.945 -9.869 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.685 15.916 -10.149 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.397 13.889 -10.966 1.00 0.00 C ATOM 0 H LEU A 32 13.096 14.294 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 32 14.890 14.074 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.647 14.613 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.760 13.211 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 32 14.616 15.528 -9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.548 16.368 -11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.695 16.697 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.632 15.376 -10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.285 14.381 -11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.287 13.259 -10.981 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.520 13.273 -10.768 1.00 0.00 H new ATOM 513 N THR A 33 13.275 16.405 -6.608 1.00 0.00 N ATOM 514 CA THR A 33 12.993 17.781 -6.240 1.00 0.00 C ATOM 515 C THR A 33 14.002 18.272 -5.200 1.00 0.00 C ATOM 516 O THR A 33 14.490 19.399 -5.286 1.00 0.00 O ATOM 517 CB THR A 33 11.542 17.854 -5.760 1.00 0.00 C ATOM 518 OG1 THR A 33 10.808 17.166 -6.770 1.00 0.00 O ATOM 519 CG2 THR A 33 10.983 19.278 -5.800 1.00 0.00 C ATOM 0 H THR A 33 12.517 15.749 -6.420 1.00 0.00 H new ATOM 0 HA THR A 33 13.102 18.449 -7.094 1.00 0.00 H new ATOM 0 HB THR A 33 11.476 17.466 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.340 16.403 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.951 19.274 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.582 19.922 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.017 19.654 -6.823 1.00 0.00 H new ATOM 527 N LYS A 34 14.285 17.404 -4.240 1.00 0.00 N ATOM 528 CA LYS A 34 15.227 17.735 -3.184 1.00 0.00 C ATOM 529 C LYS A 34 16.650 17.697 -3.745 1.00 0.00 C ATOM 530 O LYS A 34 17.471 18.552 -3.420 1.00 0.00 O ATOM 531 CB LYS A 34 15.018 16.822 -1.975 1.00 0.00 C ATOM 532 CG LYS A 34 16.073 17.089 -0.898 1.00 0.00 C ATOM 533 CD LYS A 34 16.648 15.777 -0.359 1.00 0.00 C ATOM 534 CE LYS A 34 15.839 15.275 0.838 1.00 0.00 C ATOM 535 NZ LYS A 34 16.135 16.084 2.040 1.00 0.00 N ATOM 0 H LYS A 34 13.878 16.471 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 34 15.054 18.749 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.022 16.982 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.069 15.779 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.875 17.699 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.629 17.659 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.644 15.023 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.687 15.925 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.774 15.326 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.074 14.228 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.817 15.574 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.159 16.253 2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.637 16.995 1.977 1.00 0.00 H new ATOM 549 N TYR A 35 16.895 16.696 -4.579 1.00 0.00 N ATOM 550 CA TYR A 35 18.205 16.535 -5.188 1.00 0.00 C ATOM 551 C TYR A 35 18.288 17.290 -6.516 1.00 0.00 C ATOM 552 O TYR A 35 19.172 17.026 -7.330 1.00 0.00 O ATOM 553 CB TYR A 35 18.364 15.037 -5.456 1.00 0.00 C ATOM 554 CG TYR A 35 19.691 14.661 -6.118 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.845 14.596 -5.364 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.734 14.387 -7.470 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.093 14.242 -5.987 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.983 14.033 -8.093 1.00 0.00 C ATOM 559 CZ TYR A 35 22.101 13.978 -7.321 1.00 0.00 C ATOM 560 OH TYR A 35 23.281 13.643 -7.910 1.00 0.00 O ATOM 0 H TYR A 35 16.210 15.990 -4.847 1.00 0.00 H new ATOM 0 HA TYR A 35 18.984 16.928 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.275 14.498 -4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.545 14.703 -6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.812 14.811 -4.306 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.831 14.438 -8.060 1.00 0.00 H new ATOM 0 HE1 TYR A 35 23.003 14.187 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.031 13.816 -9.150 1.00 0.00 H new ATOM 0 HH TYR A 35 23.714 12.932 -7.393 1.00 0.00 H new ATOM 570 N LEU A 36 17.355 18.214 -6.694 1.00 0.00 N ATOM 571 CA LEU A 36 17.312 19.009 -7.909 1.00 0.00 C ATOM 572 C LEU A 36 18.474 20.005 -7.905 1.00 0.00 C ATOM 573 O LEU A 36 19.197 20.125 -8.893 1.00 0.00 O ATOM 574 CB LEU A 36 15.940 19.668 -8.071 1.00 0.00 C ATOM 575 CG LEU A 36 15.812 20.682 -9.208 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.570 21.970 -8.882 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.262 20.074 -10.539 1.00 0.00 C ATOM 0 H LEU A 36 16.623 18.430 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 36 17.440 18.372 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.199 18.884 -8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.686 20.167 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 36 14.760 20.945 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.463 22.674 -9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.163 22.412 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.626 21.743 -8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.161 20.816 -11.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.304 19.764 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.642 19.208 -10.772 1.00 0.00 H new ATOM 589 N GLU A 37 18.618 20.692 -6.781 1.00 0.00 N ATOM 590 CA GLU A 37 19.680 21.672 -6.635 1.00 0.00 C ATOM 591 C GLU A 37 20.939 21.011 -6.070 1.00 0.00 C ATOM 592 O GLU A 37 21.996 21.637 -6.001 1.00 0.00 O ATOM 593 CB GLU A 37 19.232 22.839 -5.753 1.00 0.00 C ATOM 594 CG GLU A 37 18.473 23.885 -6.573 1.00 0.00 C ATOM 595 CD GLU A 37 19.214 25.223 -6.579 1.00 0.00 C ATOM 596 OE1 GLU A 37 19.541 25.695 -5.468 1.00 0.00 O ATOM 597 OE2 GLU A 37 19.440 25.742 -7.693 1.00 0.00 O ATOM 0 H GLU A 37 18.017 20.589 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 37 19.915 22.073 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 37 18.595 22.469 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.101 23.300 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.349 23.530 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.474 24.021 -6.159 1.00 0.00 H new ATOM 604 N GLU A 38 20.785 19.754 -5.681 1.00 0.00 N ATOM 605 CA GLU A 38 21.895 19.001 -5.123 1.00 0.00 C ATOM 606 C GLU A 38 22.703 18.341 -6.243 1.00 0.00 C ATOM 607 O GLU A 38 23.883 18.038 -6.066 1.00 0.00 O ATOM 608 CB GLU A 38 21.403 17.961 -4.116 1.00 0.00 C ATOM 609 CG GLU A 38 22.465 17.682 -3.051 1.00 0.00 C ATOM 610 CD GLU A 38 22.296 18.614 -1.850 1.00 0.00 C ATOM 611 OE1 GLU A 38 21.375 18.345 -1.048 1.00 0.00 O ATOM 612 OE2 GLU A 38 23.091 19.574 -1.760 1.00 0.00 O ATOM 0 H GLU A 38 19.907 19.238 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 38 22.546 19.693 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.489 18.316 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.153 17.036 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.393 16.645 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.458 17.813 -3.480 1.00 0.00 H new ATOM 619 N HIS A 39 22.037 18.137 -7.369 1.00 0.00 N ATOM 620 CA HIS A 39 22.678 17.519 -8.517 1.00 0.00 C ATOM 621 C HIS A 39 24.004 18.224 -8.806 1.00 0.00 C ATOM 622 O HIS A 39 24.042 19.445 -8.956 1.00 0.00 O ATOM 623 CB HIS A 39 21.737 17.506 -9.724 1.00 0.00 C ATOM 624 CG HIS A 39 22.121 16.509 -10.791 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.072 16.802 -12.142 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.561 15.222 -10.691 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.466 15.732 -12.817 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.769 14.753 -11.916 1.00 0.00 N ATOM 0 H HIS A 39 21.059 18.389 -7.511 1.00 0.00 H new ATOM 0 HA HIS A 39 22.903 16.476 -8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.726 17.285 -9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.713 18.503 -10.164 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.782 17.691 -12.549 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.714 14.677 -9.771 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.535 15.649 -13.892 1.00 0.00 H new ATOM 636 N PRO A 40 25.087 17.405 -8.878 1.00 0.00 N ATOM 637 CA PRO A 40 26.413 17.938 -9.146 1.00 0.00 C ATOM 638 C PRO A 40 26.561 18.321 -10.620 1.00 0.00 C ATOM 639 O PRO A 40 27.333 19.217 -10.958 1.00 0.00 O ATOM 640 CB PRO A 40 27.373 16.840 -8.718 1.00 0.00 C ATOM 641 CG PRO A 40 26.548 15.565 -8.663 1.00 0.00 C ATOM 642 CD PRO A 40 25.080 15.955 -8.706 1.00 0.00 C ATOM 0 HA PRO A 40 26.615 18.859 -8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.196 16.743 -9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.813 17.063 -7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.795 14.915 -9.502 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.768 15.007 -7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.563 15.461 -9.529 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.567 15.667 -7.788 1.00 0.00 H new ATOM 650 N GLY A 41 25.809 17.623 -11.459 1.00 0.00 N ATOM 651 CA GLY A 41 25.848 17.878 -12.888 1.00 0.00 C ATOM 652 C GLY A 41 25.287 19.265 -13.213 1.00 0.00 C ATOM 653 O GLY A 41 26.028 20.155 -13.625 1.00 0.00 O ATOM 0 H GLY A 41 25.169 16.881 -11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.875 17.804 -13.246 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.271 17.116 -13.413 1.00 0.00 H new ATOM 657 N GLY A 42 23.985 19.402 -13.015 1.00 0.00 N ATOM 658 CA GLY A 42 23.317 20.665 -13.282 1.00 0.00 C ATOM 659 C GLY A 42 21.853 20.615 -12.839 1.00 0.00 C ATOM 660 O GLY A 42 21.223 19.560 -12.886 1.00 0.00 O ATOM 0 H GLY A 42 23.374 18.660 -12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.832 21.471 -12.759 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.371 20.891 -14.347 1.00 0.00 H new ATOM 664 N GLU A 43 21.355 21.770 -12.420 1.00 0.00 N ATOM 665 CA GLU A 43 19.978 21.871 -11.970 1.00 0.00 C ATOM 666 C GLU A 43 19.046 22.106 -13.161 1.00 0.00 C ATOM 667 O GLU A 43 17.837 21.900 -13.058 1.00 0.00 O ATOM 668 CB GLU A 43 19.823 22.979 -10.925 1.00 0.00 C ATOM 669 CG GLU A 43 20.303 24.323 -11.476 1.00 0.00 C ATOM 670 CD GLU A 43 21.386 24.927 -10.580 1.00 0.00 C ATOM 671 OE1 GLU A 43 22.549 24.495 -10.726 1.00 0.00 O ATOM 672 OE2 GLU A 43 21.025 25.806 -9.768 1.00 0.00 O ATOM 0 H GLU A 43 21.881 22.643 -12.383 1.00 0.00 H new ATOM 0 HA GLU A 43 19.700 20.929 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.778 23.057 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.393 22.724 -10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.694 24.188 -12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.461 25.011 -11.550 1.00 0.00 H new ATOM 679 N GLU A 44 19.643 22.534 -14.263 1.00 0.00 N ATOM 680 CA GLU A 44 18.881 22.798 -15.472 1.00 0.00 C ATOM 681 C GLU A 44 18.716 21.515 -16.288 1.00 0.00 C ATOM 682 O GLU A 44 17.598 21.132 -16.630 1.00 0.00 O ATOM 683 CB GLU A 44 19.544 23.897 -16.307 1.00 0.00 C ATOM 684 CG GLU A 44 18.660 24.292 -17.491 1.00 0.00 C ATOM 685 CD GLU A 44 18.724 25.800 -17.744 1.00 0.00 C ATOM 686 OE1 GLU A 44 18.720 26.544 -16.740 1.00 0.00 O ATOM 687 OE2 GLU A 44 18.776 26.174 -18.936 1.00 0.00 O ATOM 0 H GLU A 44 20.645 22.705 -14.344 1.00 0.00 H new ATOM 0 HA GLU A 44 17.891 23.151 -15.184 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.733 24.770 -15.682 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.511 23.550 -16.670 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.981 23.756 -18.384 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.629 23.996 -17.295 1.00 0.00 H new ATOM 694 N VAL A 45 19.845 20.883 -16.573 1.00 0.00 N ATOM 695 CA VAL A 45 19.839 19.650 -17.341 1.00 0.00 C ATOM 696 C VAL A 45 18.663 18.780 -16.892 1.00 0.00 C ATOM 697 O VAL A 45 18.131 17.996 -17.676 1.00 0.00 O ATOM 698 CB VAL A 45 21.190 18.944 -17.209 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.807 19.196 -15.832 1.00 0.00 C ATOM 700 CG2 VAL A 45 21.054 17.445 -17.484 1.00 0.00 C ATOM 0 H VAL A 45 20.770 21.202 -16.286 1.00 0.00 H new ATOM 0 HA VAL A 45 19.701 19.861 -18.401 1.00 0.00 H new ATOM 0 HB VAL A 45 21.862 19.362 -17.959 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.767 18.683 -15.764 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.957 20.266 -15.691 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.138 18.818 -15.059 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.028 16.967 -17.384 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.359 17.005 -16.769 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.678 17.293 -18.496 1.00 0.00 H new ATOM 710 N LEU A 46 18.292 18.947 -15.631 1.00 0.00 N ATOM 711 CA LEU A 46 17.190 18.187 -15.068 1.00 0.00 C ATOM 712 C LEU A 46 15.873 18.896 -15.387 1.00 0.00 C ATOM 713 O LEU A 46 15.013 18.339 -16.069 1.00 0.00 O ATOM 714 CB LEU A 46 17.412 17.947 -13.574 1.00 0.00 C ATOM 715 CG LEU A 46 18.858 17.690 -13.143 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.100 18.181 -11.715 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.226 16.215 -13.314 1.00 0.00 C ATOM 0 H LEU A 46 18.736 19.598 -14.983 1.00 0.00 H new ATOM 0 HA LEU A 46 17.139 17.197 -15.522 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.040 18.814 -13.028 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.806 17.094 -13.269 1.00 0.00 H new ATOM 0 HG LEU A 46 19.517 18.263 -13.795 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.135 17.986 -11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.904 19.252 -11.660 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.433 17.655 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.258 16.059 -13.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.565 15.602 -12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.118 15.932 -14.361 1.00 0.00 H new ATOM 729 N ARG A 47 15.754 20.114 -14.879 1.00 0.00 N ATOM 730 CA ARG A 47 14.555 20.904 -15.101 1.00 0.00 C ATOM 731 C ARG A 47 14.289 21.055 -16.601 1.00 0.00 C ATOM 732 O ARG A 47 13.221 20.687 -17.085 1.00 0.00 O ATOM 733 CB ARG A 47 14.686 22.293 -14.472 1.00 0.00 C ATOM 734 CG ARG A 47 14.692 22.203 -12.944 1.00 0.00 C ATOM 735 CD ARG A 47 14.030 23.434 -12.321 1.00 0.00 C ATOM 736 NE ARG A 47 14.969 24.577 -12.336 1.00 0.00 N ATOM 737 CZ ARG A 47 14.606 25.851 -12.134 1.00 0.00 C ATOM 738 NH1 ARG A 47 13.322 26.152 -11.898 1.00 0.00 N ATOM 739 NH2 ARG A 47 15.527 26.824 -12.167 1.00 0.00 N ATOM 0 H ARG A 47 16.469 20.573 -14.314 1.00 0.00 H new ATOM 0 HA ARG A 47 13.722 20.381 -14.631 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.605 22.767 -14.816 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.860 22.924 -14.800 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.166 21.303 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.718 22.116 -12.585 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.125 23.689 -12.873 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.727 23.215 -11.297 1.00 0.00 H new ATOM 0 HE ARG A 47 15.955 24.383 -12.511 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.621 25.411 -11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.045 27.122 -11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.505 26.595 -12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.250 27.794 -12.013 1.00 0.00 H new ATOM 753 N GLU A 48 15.280 21.597 -17.293 1.00 0.00 N ATOM 754 CA GLU A 48 15.168 21.802 -18.727 1.00 0.00 C ATOM 755 C GLU A 48 14.356 20.671 -19.362 1.00 0.00 C ATOM 756 O GLU A 48 13.485 20.917 -20.195 1.00 0.00 O ATOM 757 CB GLU A 48 16.548 21.918 -19.376 1.00 0.00 C ATOM 758 CG GLU A 48 16.433 22.351 -20.839 1.00 0.00 C ATOM 759 CD GLU A 48 16.470 23.875 -20.963 1.00 0.00 C ATOM 760 OE1 GLU A 48 15.377 24.477 -20.890 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.590 24.404 -21.130 1.00 0.00 O ATOM 0 H GLU A 48 16.165 21.901 -16.887 1.00 0.00 H new ATOM 0 HA GLU A 48 14.644 22.742 -18.900 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.153 22.639 -18.826 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.063 20.959 -19.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.249 21.916 -21.416 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.504 21.970 -21.263 1.00 0.00 H new ATOM 768 N GLN A 49 14.671 19.454 -18.945 1.00 0.00 N ATOM 769 CA GLN A 49 13.983 18.282 -19.462 1.00 0.00 C ATOM 770 C GLN A 49 13.538 17.377 -18.311 1.00 0.00 C ATOM 771 O GLN A 49 13.855 16.189 -18.293 1.00 0.00 O ATOM 772 CB GLN A 49 14.867 17.519 -20.450 1.00 0.00 C ATOM 773 CG GLN A 49 16.137 17.007 -19.768 1.00 0.00 C ATOM 774 CD GLN A 49 17.330 17.052 -20.725 1.00 0.00 C ATOM 775 OE1 GLN A 49 17.203 16.867 -21.924 1.00 0.00 O ATOM 776 NE2 GLN A 49 18.491 17.308 -20.130 1.00 0.00 N ATOM 0 H GLN A 49 15.394 19.253 -18.254 1.00 0.00 H new ATOM 0 HA GLN A 49 13.096 18.614 -20.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.311 16.680 -20.868 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.134 18.170 -21.282 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.350 17.612 -18.887 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.982 15.985 -19.423 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.526 17.453 -19.121 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.347 17.360 -20.683 1.00 0.00 H new ATOM 785 N ALA A 50 12.809 17.973 -17.379 1.00 0.00 N ATOM 786 CA ALA A 50 12.317 17.236 -16.228 1.00 0.00 C ATOM 787 C ALA A 50 11.111 16.393 -16.646 1.00 0.00 C ATOM 788 O ALA A 50 11.265 15.246 -17.065 1.00 0.00 O ATOM 789 CB ALA A 50 11.983 18.214 -15.100 1.00 0.00 C ATOM 0 H ALA A 50 12.547 18.959 -17.398 1.00 0.00 H new ATOM 0 HA ALA A 50 13.081 16.555 -15.853 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.614 17.661 -14.236 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.880 18.767 -14.820 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.217 18.912 -15.438 1.00 0.00 H new ATOM 795 N GLY A 51 9.937 16.993 -16.518 1.00 0.00 N ATOM 796 CA GLY A 51 8.704 16.311 -16.878 1.00 0.00 C ATOM 797 C GLY A 51 8.883 15.494 -18.158 1.00 0.00 C ATOM 798 O GLY A 51 8.281 14.433 -18.311 1.00 0.00 O ATOM 0 H GLY A 51 9.813 17.944 -16.170 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.396 15.655 -16.064 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.907 17.042 -17.017 1.00 0.00 H new ATOM 802 N GLY A 52 9.715 16.019 -19.046 1.00 0.00 N ATOM 803 CA GLY A 52 9.981 15.351 -20.309 1.00 0.00 C ATOM 804 C GLY A 52 10.589 13.967 -20.080 1.00 0.00 C ATOM 805 O GLY A 52 10.163 13.238 -19.185 1.00 0.00 O ATOM 0 H GLY A 52 10.214 16.899 -18.916 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.055 15.256 -20.876 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.661 15.956 -20.908 1.00 0.00 H new ATOM 809 N ASP A 53 11.575 13.644 -20.903 1.00 0.00 N ATOM 810 CA ASP A 53 12.247 12.359 -20.801 1.00 0.00 C ATOM 811 C ASP A 53 13.760 12.575 -20.833 1.00 0.00 C ATOM 812 O ASP A 53 14.309 13.003 -21.847 1.00 0.00 O ATOM 813 CB ASP A 53 11.874 11.448 -21.972 1.00 0.00 C ATOM 814 CG ASP A 53 12.749 10.203 -22.127 1.00 0.00 C ATOM 815 OD1 ASP A 53 12.827 9.438 -21.142 1.00 0.00 O ATOM 816 OD2 ASP A 53 13.320 10.044 -23.228 1.00 0.00 O ATOM 0 H ASP A 53 11.926 14.250 -21.645 1.00 0.00 H new ATOM 0 HA ASP A 53 11.938 11.890 -19.867 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.838 11.133 -21.851 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.926 12.027 -22.894 1.00 0.00 H new ATOM 821 N ALA A 54 14.394 12.268 -19.711 1.00 0.00 N ATOM 822 CA ALA A 54 15.834 12.424 -19.597 1.00 0.00 C ATOM 823 C ALA A 54 16.478 11.049 -19.408 1.00 0.00 C ATOM 824 O ALA A 54 17.572 10.942 -18.855 1.00 0.00 O ATOM 825 CB ALA A 54 16.156 13.381 -18.447 1.00 0.00 C ATOM 0 H ALA A 54 13.936 11.912 -18.872 1.00 0.00 H new ATOM 0 HA ALA A 54 16.245 12.859 -20.508 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.236 13.497 -18.362 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.701 14.352 -18.643 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.760 12.976 -17.515 1.00 0.00 H new ATOM 831 N THR A 55 15.772 10.031 -19.878 1.00 0.00 N ATOM 832 CA THR A 55 16.261 8.667 -19.769 1.00 0.00 C ATOM 833 C THR A 55 17.657 8.549 -20.385 1.00 0.00 C ATOM 834 O THR A 55 18.617 8.211 -19.696 1.00 0.00 O ATOM 835 CB THR A 55 15.230 7.742 -20.418 1.00 0.00 C ATOM 836 OG1 THR A 55 14.209 7.614 -19.433 1.00 0.00 O ATOM 837 CG2 THR A 55 15.755 6.316 -20.597 1.00 0.00 C ATOM 0 H THR A 55 14.865 10.124 -20.335 1.00 0.00 H new ATOM 0 HA THR A 55 16.375 8.370 -18.726 1.00 0.00 H new ATOM 0 HB THR A 55 14.939 8.147 -21.387 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.904 8.505 -19.160 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.985 5.700 -21.062 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.640 6.331 -21.233 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.015 5.899 -19.624 1.00 0.00 H new ATOM 845 N GLU A 56 17.724 8.836 -21.677 1.00 0.00 N ATOM 846 CA GLU A 56 18.986 8.766 -22.394 1.00 0.00 C ATOM 847 C GLU A 56 19.969 9.798 -21.838 1.00 0.00 C ATOM 848 O GLU A 56 21.156 9.511 -21.688 1.00 0.00 O ATOM 849 CB GLU A 56 18.774 8.965 -23.896 1.00 0.00 C ATOM 850 CG GLU A 56 17.870 7.872 -24.471 1.00 0.00 C ATOM 851 CD GLU A 56 16.407 8.319 -24.479 1.00 0.00 C ATOM 852 OE1 GLU A 56 16.142 9.386 -25.075 1.00 0.00 O ATOM 853 OE2 GLU A 56 15.586 7.584 -23.888 1.00 0.00 O ATOM 0 H GLU A 56 16.925 9.117 -22.245 1.00 0.00 H new ATOM 0 HA GLU A 56 19.411 7.773 -22.248 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.329 9.943 -24.078 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.736 8.953 -24.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.186 7.630 -25.486 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.973 6.962 -23.880 1.00 0.00 H new ATOM 860 N ASN A 57 19.440 10.978 -21.548 1.00 0.00 N ATOM 861 CA ASN A 57 20.256 12.054 -21.013 1.00 0.00 C ATOM 862 C ASN A 57 20.801 11.642 -19.643 1.00 0.00 C ATOM 863 O ASN A 57 21.762 12.230 -19.151 1.00 0.00 O ATOM 864 CB ASN A 57 19.434 13.330 -20.829 1.00 0.00 C ATOM 865 CG ASN A 57 19.468 14.191 -22.093 1.00 0.00 C ATOM 866 OD1 ASN A 57 20.471 14.797 -22.436 1.00 0.00 O ATOM 867 ND2 ASN A 57 18.320 14.212 -22.766 1.00 0.00 N ATOM 0 H ASN A 57 18.455 11.212 -21.674 1.00 0.00 H new ATOM 0 HA ASN A 57 21.066 12.245 -21.717 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.403 13.071 -20.589 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.824 13.900 -19.986 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.242 14.758 -23.624 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.518 13.682 -22.424 1.00 0.00 H new ATOM 874 N PHE A 58 20.164 10.632 -19.068 1.00 0.00 N ATOM 875 CA PHE A 58 20.572 10.134 -17.765 1.00 0.00 C ATOM 876 C PHE A 58 21.525 8.946 -17.907 1.00 0.00 C ATOM 877 O PHE A 58 22.496 8.831 -17.160 1.00 0.00 O ATOM 878 CB PHE A 58 19.303 9.673 -17.045 1.00 0.00 C ATOM 879 CG PHE A 58 19.541 8.570 -16.011 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.714 7.284 -16.418 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.579 8.876 -14.687 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.935 6.260 -15.459 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.800 7.852 -13.728 1.00 0.00 C ATOM 884 CZ PHE A 58 19.973 6.566 -14.133 1.00 0.00 C ATOM 0 H PHE A 58 19.368 10.145 -19.481 1.00 0.00 H new ATOM 0 HA PHE A 58 21.091 10.917 -17.212 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.847 10.530 -16.549 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.587 9.315 -17.785 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.683 7.042 -17.470 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.441 9.897 -14.365 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.073 5.239 -15.782 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.831 8.095 -12.676 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.140 5.788 -13.403 1.00 0.00 H new ATOM 894 N GLU A 59 21.215 8.091 -18.871 1.00 0.00 N ATOM 895 CA GLU A 59 22.031 6.915 -19.120 1.00 0.00 C ATOM 896 C GLU A 59 23.286 7.298 -19.906 1.00 0.00 C ATOM 897 O GLU A 59 24.358 6.737 -19.683 1.00 0.00 O ATOM 898 CB GLU A 59 21.231 5.838 -19.853 1.00 0.00 C ATOM 899 CG GLU A 59 20.179 5.214 -18.934 1.00 0.00 C ATOM 900 CD GLU A 59 19.898 3.763 -19.329 1.00 0.00 C ATOM 901 OE1 GLU A 59 19.805 3.514 -20.549 1.00 0.00 O ATOM 902 OE2 GLU A 59 19.781 2.935 -18.399 1.00 0.00 O ATOM 0 H GLU A 59 20.410 8.190 -19.489 1.00 0.00 H new ATOM 0 HA GLU A 59 22.340 6.500 -18.160 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.744 6.273 -20.726 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.906 5.063 -20.217 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.524 5.253 -17.901 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.257 5.793 -18.984 1.00 0.00 H new ATOM 909 N ASP A 60 23.112 8.249 -20.811 1.00 0.00 N ATOM 910 CA ASP A 60 24.216 8.713 -21.633 1.00 0.00 C ATOM 911 C ASP A 60 25.344 9.215 -20.728 1.00 0.00 C ATOM 912 O ASP A 60 26.513 8.913 -20.961 1.00 0.00 O ATOM 913 CB ASP A 60 23.785 9.872 -22.535 1.00 0.00 C ATOM 914 CG ASP A 60 24.819 10.300 -23.577 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.811 10.937 -23.163 1.00 0.00 O ATOM 916 OD2 ASP A 60 24.594 9.979 -24.765 1.00 0.00 O ATOM 0 H ASP A 60 22.221 8.712 -20.993 1.00 0.00 H new ATOM 0 HA ASP A 60 24.548 7.879 -22.251 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.867 9.589 -23.051 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.546 10.731 -21.908 1.00 0.00 H new ATOM 921 N VAL A 61 24.953 9.971 -19.713 1.00 0.00 N ATOM 922 CA VAL A 61 25.916 10.517 -18.772 1.00 0.00 C ATOM 923 C VAL A 61 26.507 9.380 -17.936 1.00 0.00 C ATOM 924 O VAL A 61 27.542 9.549 -17.294 1.00 0.00 O ATOM 925 CB VAL A 61 25.257 11.604 -17.920 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.524 12.621 -18.799 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.311 10.991 -16.886 1.00 0.00 C ATOM 0 H VAL A 61 23.982 10.218 -19.522 1.00 0.00 H new ATOM 0 HA VAL A 61 26.740 10.993 -19.303 1.00 0.00 H new ATOM 0 HB VAL A 61 26.045 12.132 -17.382 1.00 0.00 H new ATOM 0 HG11 VAL A 61 24.065 13.382 -18.169 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.234 13.092 -19.479 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.751 12.113 -19.376 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.856 11.785 -16.294 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.531 10.426 -17.396 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.871 10.325 -16.230 1.00 0.00 H new ATOM 937 N GLY A 62 25.824 8.245 -17.973 1.00 0.00 N ATOM 938 CA GLY A 62 26.268 7.080 -17.227 1.00 0.00 C ATOM 939 C GLY A 62 26.352 7.387 -15.730 1.00 0.00 C ATOM 940 O GLY A 62 27.419 7.729 -15.222 1.00 0.00 O ATOM 0 H GLY A 62 24.966 8.108 -18.508 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.579 6.252 -17.394 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.244 6.760 -17.592 1.00 0.00 H new ATOM 944 N HIS A 63 25.214 7.251 -15.066 1.00 0.00 N ATOM 945 CA HIS A 63 25.145 7.509 -13.637 1.00 0.00 C ATOM 946 C HIS A 63 25.898 6.412 -12.882 1.00 0.00 C ATOM 947 O HIS A 63 25.815 5.238 -13.238 1.00 0.00 O ATOM 948 CB HIS A 63 23.693 7.653 -13.181 1.00 0.00 C ATOM 949 CG HIS A 63 23.086 9.004 -13.479 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.876 9.463 -14.767 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.649 9.988 -12.642 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.336 10.671 -14.697 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.196 10.995 -13.380 1.00 0.00 N ATOM 0 H HIS A 63 24.332 6.965 -15.491 1.00 0.00 H new ATOM 0 HA HIS A 63 25.631 8.458 -13.410 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.093 6.882 -13.664 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.640 7.471 -12.108 1.00 0.00 H new ATOM 0 HD1 HIS A 63 23.099 8.958 -15.625 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.668 9.954 -11.563 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.056 11.290 -15.536 1.00 0.00 H new ATOM 961 N SER A 64 26.616 6.834 -11.851 1.00 0.00 N ATOM 962 CA SER A 64 27.384 5.903 -11.041 1.00 0.00 C ATOM 963 C SER A 64 26.474 5.238 -10.005 1.00 0.00 C ATOM 964 O SER A 64 25.329 5.648 -9.825 1.00 0.00 O ATOM 965 CB SER A 64 28.551 6.608 -10.348 1.00 0.00 C ATOM 966 OG SER A 64 29.748 6.541 -11.118 1.00 0.00 O ATOM 0 H SER A 64 26.682 7.809 -11.558 1.00 0.00 H new ATOM 0 HA SER A 64 27.797 5.138 -11.698 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.291 7.652 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.722 6.153 -9.372 1.00 0.00 H new ATOM 0 HG SER A 64 30.469 7.004 -10.643 1.00 0.00 H new ATOM 972 N THR A 65 27.019 4.222 -9.352 1.00 0.00 N ATOM 973 CA THR A 65 26.272 3.497 -8.339 1.00 0.00 C ATOM 974 C THR A 65 25.656 4.470 -7.332 1.00 0.00 C ATOM 975 O THR A 65 24.480 4.354 -6.990 1.00 0.00 O ATOM 976 CB THR A 65 27.212 2.474 -7.699 1.00 0.00 C ATOM 977 OG1 THR A 65 27.007 1.288 -8.462 1.00 0.00 O ATOM 978 CG2 THR A 65 26.779 2.087 -6.284 1.00 0.00 C ATOM 0 H THR A 65 27.969 3.884 -9.505 1.00 0.00 H new ATOM 0 HA THR A 65 25.432 2.958 -8.778 1.00 0.00 H new ATOM 0 HB THR A 65 28.224 2.879 -7.671 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.580 0.573 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.480 1.359 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.768 2.975 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.780 1.651 -6.315 1.00 0.00 H new ATOM 986 N ASP A 66 26.477 5.407 -6.884 1.00 0.00 N ATOM 987 CA ASP A 66 26.029 6.401 -5.923 1.00 0.00 C ATOM 988 C ASP A 66 24.626 6.875 -6.305 1.00 0.00 C ATOM 989 O ASP A 66 23.785 7.101 -5.435 1.00 0.00 O ATOM 990 CB ASP A 66 26.954 7.618 -5.916 1.00 0.00 C ATOM 991 CG ASP A 66 27.973 7.650 -4.775 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.043 6.636 -4.048 1.00 0.00 O ATOM 993 OD2 ASP A 66 28.660 8.688 -4.655 1.00 0.00 O ATOM 0 H ASP A 66 27.452 5.500 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 66 26.033 5.941 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.491 7.652 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.343 8.519 -5.863 1.00 0.00 H new ATOM 998 N ALA A 67 24.415 7.014 -7.605 1.00 0.00 N ATOM 999 CA ALA A 67 23.129 7.457 -8.113 1.00 0.00 C ATOM 1000 C ALA A 67 22.096 6.346 -7.914 1.00 0.00 C ATOM 1001 O ALA A 67 20.989 6.599 -7.443 1.00 0.00 O ATOM 1002 CB ALA A 67 23.271 7.866 -9.580 1.00 0.00 C ATOM 0 H ALA A 67 25.115 6.827 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 67 22.781 8.332 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.305 8.198 -9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.993 8.679 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.617 7.013 -10.164 1.00 0.00 H new ATOM 1008 N ARG A 68 22.495 5.137 -8.284 1.00 0.00 N ATOM 1009 CA ARG A 68 21.619 3.987 -8.153 1.00 0.00 C ATOM 1010 C ARG A 68 20.884 4.029 -6.812 1.00 0.00 C ATOM 1011 O ARG A 68 19.685 3.758 -6.747 1.00 0.00 O ATOM 1012 CB ARG A 68 22.408 2.679 -8.253 1.00 0.00 C ATOM 1013 CG ARG A 68 22.006 1.891 -9.502 1.00 0.00 C ATOM 1014 CD ARG A 68 23.121 0.935 -9.928 1.00 0.00 C ATOM 1015 NE ARG A 68 22.552 -0.390 -10.260 1.00 0.00 N ATOM 1016 CZ ARG A 68 21.809 -0.637 -11.348 1.00 0.00 C ATOM 1017 NH1 ARG A 68 21.541 0.349 -12.214 1.00 0.00 N ATOM 1018 NH2 ARG A 68 21.334 -1.871 -11.569 1.00 0.00 N ATOM 0 H ARG A 68 23.414 4.930 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 68 20.897 4.026 -8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.476 2.896 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.230 2.074 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.095 1.327 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.783 2.581 -10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 68 23.649 1.340 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 68 23.852 0.835 -9.126 1.00 0.00 H new ATOM 0 HE ARG A 68 22.737 -1.163 -9.621 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.902 1.288 -12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.976 0.161 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.538 -2.622 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.769 -2.059 -12.397 1.00 0.00 H new ATOM 1032 N GLU A 69 21.632 4.372 -5.773 1.00 0.00 N ATOM 1033 CA GLU A 69 21.067 4.454 -4.437 1.00 0.00 C ATOM 1034 C GLU A 69 20.078 5.617 -4.350 1.00 0.00 C ATOM 1035 O GLU A 69 18.929 5.431 -3.951 1.00 0.00 O ATOM 1036 CB GLU A 69 22.168 4.590 -3.384 1.00 0.00 C ATOM 1037 CG GLU A 69 21.927 3.635 -2.212 1.00 0.00 C ATOM 1038 CD GLU A 69 21.369 4.385 -1.000 1.00 0.00 C ATOM 1039 OE1 GLU A 69 21.921 5.466 -0.699 1.00 0.00 O ATOM 1040 OE2 GLU A 69 20.405 3.861 -0.403 1.00 0.00 O ATOM 0 H GLU A 69 22.625 4.596 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 69 20.528 3.529 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.137 4.379 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.203 5.617 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.230 2.853 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.861 3.143 -1.941 1.00 0.00 H new ATOM 1047 N LEU A 70 20.560 6.792 -4.729 1.00 0.00 N ATOM 1048 CA LEU A 70 19.732 7.985 -4.699 1.00 0.00 C ATOM 1049 C LEU A 70 18.482 7.756 -5.551 1.00 0.00 C ATOM 1050 O LEU A 70 17.368 7.728 -5.030 1.00 0.00 O ATOM 1051 CB LEU A 70 20.545 9.212 -5.117 1.00 0.00 C ATOM 1052 CG LEU A 70 21.321 9.915 -4.001 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.812 8.910 -2.958 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.465 10.754 -4.573 1.00 0.00 C ATOM 0 H LEU A 70 21.514 6.943 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 70 19.392 8.187 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.252 8.909 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.867 9.934 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 70 20.643 10.601 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.360 9.436 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.958 8.395 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.468 8.182 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.000 11.243 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.151 10.108 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.061 11.510 -5.247 1.00 0.00 H new ATOM 1066 N SER A 71 18.709 7.597 -6.847 1.00 0.00 N ATOM 1067 CA SER A 71 17.615 7.371 -7.776 1.00 0.00 C ATOM 1068 C SER A 71 16.497 6.587 -7.087 1.00 0.00 C ATOM 1069 O SER A 71 15.363 7.057 -7.005 1.00 0.00 O ATOM 1070 CB SER A 71 18.097 6.626 -9.022 1.00 0.00 C ATOM 1071 OG SER A 71 19.104 7.351 -9.723 1.00 0.00 O ATOM 0 H SER A 71 19.634 7.620 -7.275 1.00 0.00 H new ATOM 0 HA SER A 71 17.228 8.340 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.488 5.651 -8.732 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.252 6.446 -9.686 1.00 0.00 H new ATOM 0 HG SER A 71 19.947 7.304 -9.226 1.00 0.00 H new ATOM 1077 N LYS A 72 16.855 5.403 -6.610 1.00 0.00 N ATOM 1078 CA LYS A 72 15.896 4.549 -5.930 1.00 0.00 C ATOM 1079 C LYS A 72 15.291 5.308 -4.747 1.00 0.00 C ATOM 1080 O LYS A 72 14.072 5.367 -4.602 1.00 0.00 O ATOM 1081 CB LYS A 72 16.545 3.219 -5.541 1.00 0.00 C ATOM 1082 CG LYS A 72 16.105 2.098 -6.483 1.00 0.00 C ATOM 1083 CD LYS A 72 17.148 1.858 -7.577 1.00 0.00 C ATOM 1084 CE LYS A 72 16.495 1.308 -8.846 1.00 0.00 C ATOM 1085 NZ LYS A 72 17.188 1.820 -10.050 1.00 0.00 N ATOM 0 H LYS A 72 17.796 5.015 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 72 15.074 4.293 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.630 3.318 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.275 2.965 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.951 1.181 -5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.148 2.355 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.663 2.791 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.902 1.157 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.528 0.219 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.444 1.595 -8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.732 1.437 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.135 2.859 -10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.185 1.525 -10.029 1.00 0.00 H new ATOM 1099 N THR A 73 16.172 5.870 -3.933 1.00 0.00 N ATOM 1100 CA THR A 73 15.741 6.623 -2.768 1.00 0.00 C ATOM 1101 C THR A 73 14.805 7.759 -3.184 1.00 0.00 C ATOM 1102 O THR A 73 13.891 8.118 -2.443 1.00 0.00 O ATOM 1103 CB THR A 73 16.990 7.105 -2.027 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.060 6.261 -0.881 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.821 8.510 -1.446 1.00 0.00 C ATOM 0 H THR A 73 17.183 5.819 -4.057 1.00 0.00 H new ATOM 0 HA THR A 73 15.162 6.000 -2.086 1.00 0.00 H new ATOM 0 HB THR A 73 17.842 7.094 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.843 6.503 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.736 8.803 -0.931 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.616 9.215 -2.252 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.990 8.514 -0.741 1.00 0.00 H new ATOM 1113 N TYR A 74 15.067 8.294 -4.368 1.00 0.00 N ATOM 1114 CA TYR A 74 14.259 9.383 -4.891 1.00 0.00 C ATOM 1115 C TYR A 74 13.225 8.866 -5.895 1.00 0.00 C ATOM 1116 O TYR A 74 12.987 9.495 -6.925 1.00 0.00 O ATOM 1117 CB TYR A 74 15.230 10.319 -5.613 1.00 0.00 C ATOM 1118 CG TYR A 74 16.030 11.227 -4.678 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.186 10.760 -4.085 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.596 12.514 -4.427 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.939 11.615 -3.204 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.351 13.368 -3.546 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.484 12.877 -2.978 1.00 0.00 C ATOM 1124 OH TYR A 74 18.196 13.684 -2.146 1.00 0.00 O ATOM 0 H TYR A 74 15.826 7.994 -4.979 1.00 0.00 H new ATOM 0 HA TYR A 74 13.719 9.881 -4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.924 9.721 -6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.669 10.939 -6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.526 9.754 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.692 12.880 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.845 11.262 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.024 14.377 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 74 19.145 13.444 -2.190 1.00 0.00 H new ATOM 1134 N ILE A 75 12.640 7.726 -5.559 1.00 0.00 N ATOM 1135 CA ILE A 75 11.638 7.118 -6.417 1.00 0.00 C ATOM 1136 C ILE A 75 10.292 7.102 -5.692 1.00 0.00 C ATOM 1137 O ILE A 75 10.233 6.840 -4.492 1.00 0.00 O ATOM 1138 CB ILE A 75 12.101 5.736 -6.885 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.662 5.470 -8.326 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.620 4.644 -5.928 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.429 4.288 -8.924 1.00 0.00 C ATOM 0 H ILE A 75 12.841 7.207 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 75 11.504 7.709 -7.323 1.00 0.00 H new ATOM 0 HB ILE A 75 13.191 5.718 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.592 5.264 -8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.830 6.361 -8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.962 3.672 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.023 4.829 -4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.531 4.652 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 75 12.098 4.120 -9.949 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.497 4.507 -8.919 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.239 3.394 -8.331 1.00 0.00 H new ATOM 1153 N ILE A 76 9.243 7.386 -6.450 1.00 0.00 N ATOM 1154 CA ILE A 76 7.901 7.408 -5.895 1.00 0.00 C ATOM 1155 C ILE A 76 7.028 6.399 -6.642 1.00 0.00 C ATOM 1156 O ILE A 76 6.192 5.729 -6.039 1.00 0.00 O ATOM 1157 CB ILE A 76 7.341 8.832 -5.903 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.783 9.193 -7.281 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.392 9.837 -5.428 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.904 9.615 -8.233 1.00 0.00 C ATOM 0 H ILE A 76 9.296 7.603 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 76 7.916 7.103 -4.849 1.00 0.00 H new ATOM 0 HB ILE A 76 6.511 8.877 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.250 8.338 -7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.060 10.003 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.968 10.841 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.700 9.589 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.257 9.798 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.480 9.866 -9.205 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.419 10.485 -7.826 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.613 8.795 -8.347 1.00 0.00 H new ATOM 1172 N GLY A 77 7.250 6.324 -7.946 1.00 0.00 N ATOM 1173 CA GLY A 77 6.493 5.407 -8.783 1.00 0.00 C ATOM 1174 C GLY A 77 6.876 5.568 -10.255 1.00 0.00 C ATOM 1175 O GLY A 77 7.917 6.141 -10.572 1.00 0.00 O ATOM 0 H GLY A 77 7.943 6.883 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.678 4.381 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.426 5.591 -8.659 1.00 0.00 H new ATOM 1179 N GLU A 78 6.013 5.051 -11.117 1.00 0.00 N ATOM 1180 CA GLU A 78 6.245 5.129 -12.549 1.00 0.00 C ATOM 1181 C GLU A 78 5.111 5.895 -13.232 1.00 0.00 C ATOM 1182 O GLU A 78 4.037 6.064 -12.655 1.00 0.00 O ATOM 1183 CB GLU A 78 6.408 3.733 -13.156 1.00 0.00 C ATOM 1184 CG GLU A 78 5.049 3.139 -13.534 1.00 0.00 C ATOM 1185 CD GLU A 78 5.211 1.746 -14.144 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.469 0.808 -13.358 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.074 1.649 -15.382 1.00 0.00 O ATOM 0 H GLU A 78 5.151 4.576 -10.851 1.00 0.00 H new ATOM 0 HA GLU A 78 7.175 5.673 -12.716 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.044 3.788 -14.040 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.910 3.079 -12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.415 3.081 -12.650 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.546 3.795 -14.245 1.00 0.00 H new ATOM 1194 N LEU A 79 5.387 6.338 -14.449 1.00 0.00 N ATOM 1195 CA LEU A 79 4.402 7.082 -15.216 1.00 0.00 C ATOM 1196 C LEU A 79 3.645 6.122 -16.134 1.00 0.00 C ATOM 1197 O LEU A 79 4.224 5.169 -16.655 1.00 0.00 O ATOM 1198 CB LEU A 79 5.067 8.245 -15.956 1.00 0.00 C ATOM 1199 CG LEU A 79 5.322 8.031 -17.449 1.00 0.00 C ATOM 1200 CD1 LEU A 79 5.946 6.658 -17.708 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.042 8.241 -18.261 1.00 0.00 C ATOM 0 H LEU A 79 6.279 6.196 -14.924 1.00 0.00 H new ATOM 0 HA LEU A 79 3.666 7.535 -14.552 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.442 9.130 -15.838 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.020 8.460 -15.472 1.00 0.00 H new ATOM 0 HG LEU A 79 6.041 8.780 -17.782 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.117 6.532 -18.777 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.895 6.584 -17.178 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.271 5.879 -17.354 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.252 8.083 -19.319 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.282 7.532 -17.932 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.679 9.258 -18.111 1.00 0.00 H new ATOM 1213 N HIS A 80 2.361 6.405 -16.305 1.00 0.00 N ATOM 1214 CA HIS A 80 1.519 5.576 -17.152 1.00 0.00 C ATOM 1215 C HIS A 80 2.306 5.140 -18.389 1.00 0.00 C ATOM 1216 O HIS A 80 2.741 5.976 -19.179 1.00 0.00 O ATOM 1217 CB HIS A 80 0.220 6.305 -17.503 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.006 5.424 -17.468 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.152 5.705 -18.191 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.252 4.266 -16.791 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.042 4.753 -17.952 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.483 3.863 -17.084 1.00 0.00 N ATOM 0 H HIS A 80 1.884 7.196 -15.872 1.00 0.00 H new ATOM 0 HA HIS A 80 1.229 4.674 -16.613 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.080 7.133 -16.808 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.316 6.738 -18.499 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.288 6.509 -18.804 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.563 3.762 -16.129 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.036 4.693 -18.371 1.00 0.00 H new ATOM 1230 N PRO A 81 2.470 3.796 -18.521 1.00 0.00 N ATOM 1231 CA PRO A 81 3.198 3.237 -19.648 1.00 0.00 C ATOM 1232 C PRO A 81 2.357 3.295 -20.925 1.00 0.00 C ATOM 1233 O PRO A 81 2.886 3.160 -22.027 1.00 0.00 O ATOM 1234 CB PRO A 81 3.544 1.818 -19.228 1.00 0.00 C ATOM 1235 CG PRO A 81 2.604 1.482 -18.083 1.00 0.00 C ATOM 1236 CD PRO A 81 1.969 2.777 -17.604 1.00 0.00 C ATOM 0 HA PRO A 81 4.101 3.798 -19.886 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.414 1.123 -20.057 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.585 1.747 -18.913 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.838 0.780 -18.412 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.149 1.001 -17.271 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.881 2.719 -17.633 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.249 2.998 -16.574 1.00 0.00 H new ATOM 1244 N ASP A 82 1.062 3.497 -20.735 1.00 0.00 N ATOM 1245 CA ASP A 82 0.144 3.575 -21.858 1.00 0.00 C ATOM 1246 C ASP A 82 0.221 4.970 -22.480 1.00 0.00 C ATOM 1247 O ASP A 82 0.074 5.123 -23.691 1.00 0.00 O ATOM 1248 CB ASP A 82 -1.299 3.337 -21.406 1.00 0.00 C ATOM 1249 CG ASP A 82 -2.215 2.718 -22.466 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -1.661 2.180 -23.449 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -3.446 2.797 -22.268 1.00 0.00 O ATOM 0 H ASP A 82 0.626 3.609 -19.820 1.00 0.00 H new ATOM 0 HA ASP A 82 0.428 2.809 -22.579 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.287 2.686 -20.532 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.726 4.288 -21.089 1.00 0.00 H new ATOM 1256 N ASP A 83 0.451 5.953 -21.622 1.00 0.00 N ATOM 1257 CA ASP A 83 0.550 7.331 -22.071 1.00 0.00 C ATOM 1258 C ASP A 83 2.024 7.721 -22.186 1.00 0.00 C ATOM 1259 O ASP A 83 2.355 8.905 -22.237 1.00 0.00 O ATOM 1260 CB ASP A 83 -0.115 8.284 -21.075 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.630 8.121 -20.938 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -2.036 7.229 -20.162 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -2.347 8.893 -21.609 1.00 0.00 O ATOM 0 H ASP A 83 0.572 5.822 -20.618 1.00 0.00 H new ATOM 0 HA ASP A 83 0.047 7.408 -23.035 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.341 8.138 -20.096 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.099 9.309 -21.377 1.00 0.00 H new ATOM 1268 N ARG A 84 2.872 6.703 -22.223 1.00 0.00 N ATOM 1269 CA ARG A 84 4.304 6.925 -22.331 1.00 0.00 C ATOM 1270 C ARG A 84 4.678 7.284 -23.770 1.00 0.00 C ATOM 1271 O ARG A 84 5.699 7.929 -24.008 1.00 0.00 O ATOM 1272 CB ARG A 84 5.087 5.682 -21.904 1.00 0.00 C ATOM 1273 CG ARG A 84 5.219 4.691 -23.061 1.00 0.00 C ATOM 1274 CD ARG A 84 6.053 3.476 -22.652 1.00 0.00 C ATOM 1275 NE ARG A 84 5.176 2.298 -22.467 1.00 0.00 N ATOM 1276 CZ ARG A 84 4.749 1.515 -23.467 1.00 0.00 C ATOM 1277 NH1 ARG A 84 5.116 1.780 -24.728 1.00 0.00 N ATOM 1278 NH2 ARG A 84 3.954 0.468 -23.206 1.00 0.00 N ATOM 0 H ARG A 84 2.595 5.722 -22.180 1.00 0.00 H new ATOM 0 HA ARG A 84 4.563 7.750 -21.668 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.078 5.974 -21.556 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.584 5.202 -21.065 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.229 4.366 -23.380 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.683 5.184 -23.915 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.802 3.265 -23.415 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.590 3.688 -21.728 1.00 0.00 H new ATOM 0 HE ARG A 84 4.878 2.068 -21.519 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.720 2.577 -24.926 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.791 1.184 -25.490 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.674 0.267 -22.246 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.629 -0.128 -23.967 1.00 0.00 H new ATOM 1292 N SER A 85 3.832 6.854 -24.694 1.00 0.00 N ATOM 1293 CA SER A 85 4.061 7.122 -26.103 1.00 0.00 C ATOM 1294 C SER A 85 3.030 8.129 -26.618 1.00 0.00 C ATOM 1295 O SER A 85 2.572 8.027 -27.755 1.00 0.00 O ATOM 1296 CB SER A 85 4.002 5.834 -26.926 1.00 0.00 C ATOM 1297 OG SER A 85 5.298 5.287 -27.153 1.00 0.00 O ATOM 0 H SER A 85 2.986 6.321 -24.494 1.00 0.00 H new ATOM 0 HA SER A 85 5.060 7.545 -26.213 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.384 5.100 -26.408 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.521 6.037 -27.883 1.00 0.00 H new ATOM 0 HG SER A 85 5.218 4.465 -27.680 1.00 0.00 H new ATOM 1303 N LYS A 86 2.694 9.077 -25.756 1.00 0.00 N ATOM 1304 CA LYS A 86 1.724 10.100 -26.110 1.00 0.00 C ATOM 1305 C LYS A 86 2.463 11.367 -26.547 1.00 0.00 C ATOM 1306 O LYS A 86 2.040 12.477 -26.232 1.00 0.00 O ATOM 1307 CB LYS A 86 0.741 10.328 -24.960 1.00 0.00 C ATOM 1308 CG LYS A 86 -0.705 10.232 -25.448 1.00 0.00 C ATOM 1309 CD LYS A 86 -1.002 8.842 -26.013 1.00 0.00 C ATOM 1310 CE LYS A 86 -2.481 8.486 -25.848 1.00 0.00 C ATOM 1311 NZ LYS A 86 -3.225 8.778 -27.094 1.00 0.00 N ATOM 0 H LYS A 86 3.076 9.159 -24.814 1.00 0.00 H new ATOM 0 HA LYS A 86 1.119 9.774 -26.956 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.914 9.590 -24.177 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.915 11.309 -24.517 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.386 10.447 -24.624 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.885 10.986 -26.214 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.732 8.810 -27.069 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.387 8.100 -25.504 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.581 7.430 -25.596 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.908 9.053 -25.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.227 8.531 -26.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.144 9.790 -27.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.828 8.218 -27.875 1.00 0.00 H new ATOM 1325 N ILE A 87 3.556 11.157 -27.267 1.00 0.00 N ATOM 1326 CA ILE A 87 4.358 12.268 -27.751 1.00 0.00 C ATOM 1327 C ILE A 87 3.902 12.644 -29.161 1.00 0.00 C ATOM 1328 O ILE A 87 3.734 13.823 -29.470 1.00 0.00 O ATOM 1329 CB ILE A 87 5.849 11.935 -27.654 1.00 0.00 C ATOM 1330 CG1 ILE A 87 6.661 13.169 -27.254 1.00 0.00 C ATOM 1331 CG2 ILE A 87 6.356 11.311 -28.954 1.00 0.00 C ATOM 1332 CD1 ILE A 87 6.330 13.605 -25.826 1.00 0.00 C ATOM 0 H ILE A 87 3.905 10.234 -27.527 1.00 0.00 H new ATOM 0 HA ILE A 87 4.210 13.147 -27.123 1.00 0.00 H new ATOM 0 HB ILE A 87 5.984 11.193 -26.867 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.726 12.949 -27.333 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.452 13.986 -27.945 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.418 11.084 -28.859 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.805 10.392 -29.156 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.207 12.011 -29.776 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.921 14.484 -25.568 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.270 13.847 -25.756 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.563 12.795 -25.135 1.00 0.00 H new ATOM 1344 N ALA A 88 3.716 11.620 -29.981 1.00 0.00 N ATOM 1345 CA ALA A 88 3.283 11.828 -31.353 1.00 0.00 C ATOM 1346 C ALA A 88 1.941 12.563 -31.353 1.00 0.00 C ATOM 1347 O ALA A 88 1.458 12.981 -30.302 1.00 0.00 O ATOM 1348 CB ALA A 88 3.211 10.482 -32.076 1.00 0.00 C ATOM 0 H ALA A 88 3.857 10.644 -29.722 1.00 0.00 H new ATOM 0 HA ALA A 88 3.999 12.449 -31.892 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.886 10.638 -33.105 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.196 10.014 -32.073 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.500 9.833 -31.566 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.630 12.762 -12.562 1.00 0.00 FE HETATM 1356 CHA HEM A 95 25.984 12.909 -12.722 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.835 11.372 -9.470 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.258 12.646 -12.409 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.406 14.180 -15.659 1.00 0.00 C HETATM 1360 NA HEM A 95 24.136 12.240 -11.358 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.469 12.399 -11.611 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.222 11.891 -10.469 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.331 11.467 -9.558 1.00 0.00 C HETATM 1364 C4A HEM A 95 24.027 11.697 -10.109 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.677 10.826 -8.223 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.659 11.258 -10.481 1.00 0.00 C HETATM 1367 CBA HEM A 95 28.919 12.046 -10.055 1.00 0.00 C HETATM 1368 CGA HEM A 95 30.139 11.730 -10.909 1.00 0.00 C HETATM 1369 O1A HEM A 95 30.727 12.673 -11.497 1.00 0.00 O HETATM 1370 O2A HEM A 95 30.537 10.540 -10.993 1.00 0.00 O HETATM 1371 NB HEM A 95 21.302 12.128 -11.221 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.582 11.581 -10.005 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.352 11.251 -9.306 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.347 11.604 -10.122 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.937 12.179 -11.332 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.191 10.609 -7.937 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.875 11.442 -9.835 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.185 10.452 -9.643 1.00 0.00 C HETATM 1379 NC HEM A 95 21.121 13.318 -13.785 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.785 13.174 -13.538 1.00 0.00 C HETATM 1381 C2C HEM A 95 19.018 13.660 -14.661 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.934 14.124 -15.590 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.231 13.880 -15.041 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.535 13.720 -14.832 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.565 14.728 -16.907 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.664 15.291 -17.191 1.00 0.00 C HETATM 1387 ND HEM A 95 23.957 13.422 -13.917 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.669 13.975 -15.149 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.931 14.312 -15.837 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.893 13.949 -15.005 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.301 13.398 -13.808 1.00 0.00 C HETATM 1392 CMD HEM A 95 25.048 14.944 -17.191 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.479 14.250 -14.997 1.00 0.00 C HETATM 1394 CBD HEM A 95 27.737 15.750 -15.283 1.00 0.00 C HETATM 1395 CGD HEM A 95 29.027 16.234 -14.622 1.00 0.00 C HETATM 1396 O1D HEM A 95 30.156 16.118 -15.096 1.00 0.00 O HETATM 1397 O2D HEM A 95 28.769 16.515 -13.353 1.00 0.00 O HETATM 0 HMA1 HEM A 95 24.880 11.025 -7.507 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 26.612 11.244 -7.850 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.787 9.750 -8.354 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.267 10.959 -7.477 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 21.036 10.882 -7.305 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.154 9.525 -8.046 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 17.071 12.908 -14.272 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.286 13.621 -15.889 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.164 14.675 -14.460 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 24.195 14.651 -17.804 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 25.970 14.612 -17.669 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 25.064 16.029 -17.086 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.118 10.561 -9.449 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.637 9.460 -9.666 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.554 15.666 -18.209 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.881 15.474 -16.455 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 29.145 11.822 -9.012 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 28.709 13.114 -10.113 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 27.838 10.911 -11.499 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 27.615 10.374 -9.845 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 26.897 16.341 -14.918 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.796 15.911 -16.359 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 27.977 13.637 -15.748 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 27.904 13.978 -14.031 1.00 0.00 H new HETATM 0 HHA HEM A 95 27.062 12.943 -12.779 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.895 10.926 -8.488 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.181 12.591 -12.360 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.342 14.621 -16.643 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.325 12.382 -9.791 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.297 14.590 -17.703 1.00 0.00 H new