USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= -0.573 K(o=-1.5,f=-2.7) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.958 K(o=-1.5,f=-5.6!) USER MOD Set 2.1: A 30 TYR OH : rot -61:sc= 1.12 USER MOD Set 2.2: A 71 SER OG : rot -73:sc= 2.25 USER MOD Set 3.1: A 15 HIS : no HD1:sc= 1 K(o=4.2,f=-3.4!) USER MOD Set 3.2: A 20 SER OG : rot -156:sc= 1.33 USER MOD Set 3.3: A 33 THR OG1 : rot 75:sc= 1.84 USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00992) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 172:sc= 1.06 USER MOD Single : A 8 THR OG1 : rot -138:sc= 1.68 USER MOD Single : A 13 GLN : amide:sc= -0.338 K(o=-0.34,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.0309 (180deg=-0.273) USER MOD Single : A 16 ASN : amide:sc= 0.165 K(o=0.17,f=-0.51) USER MOD Single : A 17 ASN : amide:sc= 0.929 K(o=0.93,f=-6.3!) 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 63:sc= 1.2 USER MOD Single : A 26 HIS : no HE2:sc= -0.0978 X(o=-0.098,f=-0.49) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 28:sc= 0.76 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0352 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 80 HIS : no HD1:sc= -0.311 K(o=-0.31,f=-4.3!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.216 (180deg=-0.216) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.0319 (180deg=-0.575) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.0336 (180deg=-0.0336) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.0516 (180deg=-0.646) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.908 -8.889 -19.292 1.00 10.00 N ATOM 2 CA ALA A 3 0.741 -7.991 -19.330 1.00 10.00 C ATOM 3 C ALA A 3 0.368 -7.678 -17.888 1.00 10.00 C ATOM 4 O ALA A 3 0.800 -8.430 -17.015 1.00 10.00 O ATOM 5 CB ALA A 3 -0.434 -8.651 -20.059 1.00 10.00 C ATOM 0 HA ALA A 3 0.981 -7.078 -19.874 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -1.283 -7.968 -20.073 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -0.141 -8.887 -21.082 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -0.715 -9.568 -19.541 1.00 10.00 H new ATOM 13 N VAL A 4 -0.393 -6.611 -17.633 1.00 10.00 N ATOM 14 CA VAL A 4 -0.876 -6.332 -16.287 1.00 10.00 C ATOM 15 C VAL A 4 -1.745 -7.501 -15.818 1.00 10.00 C ATOM 16 O VAL A 4 -2.520 -8.048 -16.602 1.00 10.00 O ATOM 17 CB VAL A 4 -1.603 -4.975 -16.232 1.00 10.00 C ATOM 18 CG1 VAL A 4 -2.884 -4.929 -17.078 1.00 10.00 C ATOM 19 CG2 VAL A 4 -1.934 -4.580 -14.787 1.00 10.00 C ATOM 0 H VAL A 4 -0.684 -5.933 -18.338 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.036 -6.244 -15.598 1.00 10.00 H new ATOM 0 HB VAL A 4 -0.904 -4.257 -16.662 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.342 -3.944 -16.991 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -2.638 -5.124 -18.122 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -3.582 -5.687 -16.722 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.447 -3.618 -14.781 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -2.579 -5.337 -14.341 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -1.012 -4.503 -14.210 1.00 10.00 H new ATOM 29 N LYS A 5 -1.582 -7.902 -14.557 1.00 10.00 N ATOM 30 CA LYS A 5 -2.326 -8.990 -13.949 1.00 10.00 C ATOM 31 C LYS A 5 -3.024 -8.427 -12.715 1.00 10.00 C ATOM 32 O LYS A 5 -2.373 -8.129 -11.717 1.00 10.00 O ATOM 33 CB LYS A 5 -1.374 -10.147 -13.610 1.00 10.00 C ATOM 34 CG LYS A 5 -2.147 -11.424 -13.237 1.00 10.00 C ATOM 35 CD LYS A 5 -1.797 -12.566 -14.206 1.00 10.00 C ATOM 36 CE LYS A 5 -2.742 -13.771 -14.083 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.779 -14.337 -12.718 1.00 10.00 N ATOM 0 H LYS A 5 -0.913 -7.466 -13.922 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.076 -9.396 -14.628 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.727 -10.349 -14.464 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.728 -9.857 -12.782 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.905 -11.718 -12.216 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.219 -11.229 -13.267 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.829 -12.190 -15.228 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.774 -12.893 -14.018 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.748 -13.468 -14.372 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.428 -14.545 -14.783 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -3.379 -15.186 -12.711 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.815 -14.591 -12.421 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -3.169 -13.632 -12.060 1.00 10.00 H new ATOM 51 N TYR A 6 -4.340 -8.239 -12.807 1.00 10.00 N ATOM 52 CA TYR A 6 -5.118 -7.707 -11.702 1.00 10.00 C ATOM 53 C TYR A 6 -5.147 -8.698 -10.535 1.00 10.00 C ATOM 54 O TYR A 6 -4.996 -9.902 -10.753 1.00 10.00 O ATOM 55 CB TYR A 6 -6.534 -7.372 -12.169 1.00 10.00 C ATOM 56 CG TYR A 6 -6.626 -6.530 -13.425 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.454 -5.139 -13.343 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.899 -7.128 -14.669 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.499 -4.349 -14.505 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.956 -6.337 -15.830 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.739 -4.952 -15.751 1.00 10.00 C ATOM 62 OH TYR A 6 -6.778 -4.196 -16.884 1.00 10.00 O ATOM 0 H TYR A 6 -4.887 -8.450 -13.642 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.645 -6.790 -11.351 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.072 -8.305 -12.338 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.049 -6.849 -11.363 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.286 -4.674 -12.383 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.065 -8.193 -14.732 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.349 -3.281 -14.440 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.167 -6.796 -16.785 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.954 -4.773 -17.656 1.00 10.00 H new ATOM 72 N TYR A 7 -5.358 -8.199 -9.312 1.00 10.00 N ATOM 73 CA TYR A 7 -5.402 -9.012 -8.103 1.00 10.00 C ATOM 74 C TYR A 7 -6.769 -8.881 -7.440 1.00 10.00 C ATOM 75 O TYR A 7 -7.355 -7.798 -7.419 1.00 10.00 O ATOM 76 CB TYR A 7 -4.315 -8.553 -7.136 1.00 10.00 C ATOM 77 CG TYR A 7 -2.926 -8.505 -7.742 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.212 -9.691 -8.000 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.376 -7.269 -8.120 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.971 -9.636 -8.663 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.122 -7.213 -8.738 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.438 -8.395 -9.057 1.00 10.00 C ATOM 83 OH TYR A 7 0.738 -8.336 -9.746 1.00 10.00 O ATOM 0 H TYR A 7 -5.504 -7.205 -9.137 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.232 -10.056 -8.367 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.571 -7.561 -6.763 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.302 -9.223 -6.277 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.616 -10.643 -7.689 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.924 -6.357 -7.933 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.428 -10.547 -8.869 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.679 -6.256 -8.970 1.00 10.00 H new ATOM 0 HH TYR A 7 0.895 -7.417 -10.046 1.00 10.00 H new ATOM 93 N THR A 8 -7.269 -9.992 -6.906 1.00 10.00 N ATOM 94 CA THR A 8 -8.511 -10.049 -6.155 1.00 10.00 C ATOM 95 C THR A 8 -8.286 -9.442 -4.770 1.00 10.00 C ATOM 96 O THR A 8 -7.168 -9.468 -4.251 1.00 10.00 O ATOM 97 CB THR A 8 -8.945 -11.516 -6.019 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.972 -12.181 -5.237 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.113 -12.179 -7.390 1.00 10.00 C ATOM 0 H THR A 8 -6.807 -10.898 -6.988 1.00 10.00 H new ATOM 0 HA THR A 8 -9.290 -9.488 -6.672 1.00 10.00 H new ATOM 0 HB THR A 8 -9.918 -11.575 -5.532 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.788 -13.062 -5.624 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.421 -13.216 -7.257 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.873 -11.646 -7.961 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.166 -12.148 -7.928 1.00 10.00 H new ATOM 107 N LEU A 9 -9.356 -8.942 -4.145 1.00 10.00 N ATOM 108 CA LEU A 9 -9.290 -8.476 -2.766 1.00 10.00 C ATOM 109 C LEU A 9 -8.672 -9.562 -1.881 1.00 10.00 C ATOM 110 O LEU A 9 -7.814 -9.269 -1.058 1.00 10.00 O ATOM 111 CB LEU A 9 -10.689 -8.090 -2.260 1.00 10.00 C ATOM 112 CG LEU A 9 -10.694 -6.781 -1.448 1.00 10.00 C ATOM 113 CD1 LEU A 9 -12.090 -6.538 -0.860 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.688 -6.780 -0.288 1.00 10.00 C ATOM 0 H LEU A 9 -10.276 -8.852 -4.576 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.660 -7.588 -2.721 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.362 -7.986 -3.111 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.081 -8.897 -1.641 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.407 -5.994 -2.145 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -12.087 -5.611 -0.287 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.817 -6.463 -1.668 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.359 -7.368 -0.206 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.744 -5.829 0.241 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.924 -7.592 0.399 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.680 -6.918 -0.680 1.00 10.00 H new ATOM 126 N GLU A 10 -9.097 -10.814 -2.083 1.00 10.00 N ATOM 127 CA GLU A 10 -8.579 -11.988 -1.385 1.00 10.00 C ATOM 128 C GLU A 10 -7.056 -12.053 -1.471 1.00 10.00 C ATOM 129 O GLU A 10 -6.362 -11.965 -0.457 1.00 10.00 O ATOM 130 CB GLU A 10 -9.212 -13.259 -1.966 1.00 10.00 C ATOM 131 CG GLU A 10 -8.836 -14.545 -1.205 1.00 10.00 C ATOM 132 CD GLU A 10 -9.168 -14.516 0.283 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.261 -14.007 0.612 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.322 -15.016 1.058 1.00 10.00 O ATOM 0 H GLU A 10 -9.830 -11.041 -2.755 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.845 -11.910 -0.331 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.296 -13.149 -1.961 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.907 -13.362 -3.007 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.352 -15.388 -1.664 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.767 -14.723 -1.323 1.00 10.00 H new ATOM 141 N GLU A 11 -6.533 -12.199 -2.691 1.00 10.00 N ATOM 142 CA GLU A 11 -5.102 -12.280 -2.917 1.00 10.00 C ATOM 143 C GLU A 11 -4.394 -11.118 -2.223 1.00 10.00 C ATOM 144 O GLU A 11 -3.431 -11.338 -1.494 1.00 10.00 O ATOM 145 CB GLU A 11 -4.806 -12.317 -4.421 1.00 10.00 C ATOM 146 CG GLU A 11 -4.667 -13.750 -4.959 1.00 10.00 C ATOM 147 CD GLU A 11 -5.883 -14.625 -4.680 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.862 -14.495 -5.450 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.802 -15.409 -3.710 1.00 10.00 O ATOM 0 H GLU A 11 -7.093 -12.263 -3.541 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.718 -13.204 -2.485 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.606 -11.807 -4.958 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.887 -11.767 -4.621 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.497 -13.711 -6.035 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.786 -14.213 -4.514 1.00 10.00 H new ATOM 156 N ILE A 12 -4.875 -9.886 -2.408 1.00 10.00 N ATOM 157 CA ILE A 12 -4.256 -8.754 -1.730 1.00 10.00 C ATOM 158 C ILE A 12 -4.298 -8.920 -0.203 1.00 10.00 C ATOM 159 O ILE A 12 -3.273 -8.756 0.462 1.00 10.00 O ATOM 160 CB ILE A 12 -4.832 -7.416 -2.229 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.720 -7.257 -3.757 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.059 -6.261 -1.584 1.00 10.00 C ATOM 163 CD1 ILE A 12 -3.296 -7.500 -4.246 1.00 10.00 C ATOM 0 H ILE A 12 -5.669 -9.654 -3.005 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.198 -8.734 -1.992 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.887 -7.403 -1.955 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.397 -7.957 -4.246 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -5.037 -6.254 -4.043 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.464 -5.312 -1.935 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.156 -6.319 -0.500 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.006 -6.330 -1.858 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -3.257 -7.379 -5.329 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -2.623 -6.783 -3.776 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -2.989 -8.512 -3.983 1.00 10.00 H new ATOM 175 N GLN A 13 -5.448 -9.307 0.353 1.00 10.00 N ATOM 176 CA GLN A 13 -5.616 -9.568 1.770 1.00 10.00 C ATOM 177 C GLN A 13 -4.578 -10.557 2.279 1.00 10.00 C ATOM 178 O GLN A 13 -4.037 -10.355 3.359 1.00 10.00 O ATOM 179 CB GLN A 13 -7.049 -10.031 2.083 1.00 10.00 C ATOM 180 CG GLN A 13 -7.928 -8.864 2.550 1.00 10.00 C ATOM 181 CD GLN A 13 -7.475 -8.282 3.891 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.790 -8.938 4.669 1.00 10.00 O ATOM 183 NE2 GLN A 13 -7.843 -7.038 4.179 1.00 10.00 N ATOM 0 H GLN A 13 -6.302 -9.448 -0.187 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.454 -8.631 2.303 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.488 -10.485 1.195 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.023 -10.800 2.855 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.913 -8.079 1.794 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.960 -9.204 2.636 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.413 -6.509 3.519 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -7.556 -6.612 5.060 1.00 10.00 H new ATOM 192 N LYS A 14 -4.246 -11.602 1.520 1.00 10.00 N ATOM 193 CA LYS A 14 -3.244 -12.566 1.958 1.00 10.00 C ATOM 194 C LYS A 14 -1.896 -11.902 2.294 1.00 10.00 C ATOM 195 O LYS A 14 -1.173 -12.390 3.161 1.00 10.00 O ATOM 196 CB LYS A 14 -3.096 -13.691 0.925 1.00 10.00 C ATOM 197 CG LYS A 14 -4.393 -14.503 0.795 1.00 10.00 C ATOM 198 CD LYS A 14 -4.235 -15.651 -0.215 1.00 10.00 C ATOM 199 CE LYS A 14 -5.028 -16.893 0.210 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.458 -17.522 1.419 1.00 10.00 N ATOM 0 H LYS A 14 -4.654 -11.799 0.606 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.595 -13.009 2.890 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.832 -13.266 -0.043 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.279 -14.351 1.217 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.670 -14.908 1.768 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -5.205 -13.848 0.480 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.574 -15.321 -1.197 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.180 -15.908 -0.312 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.065 -16.615 0.400 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.036 -17.616 -0.606 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -4.755 -18.517 1.465 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -3.420 -17.472 1.380 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -4.797 -17.020 2.264 1.00 10.00 H new ATOM 214 N HIS A 15 -1.563 -10.774 1.659 1.00 10.00 N ATOM 215 CA HIS A 15 -0.301 -10.066 1.867 1.00 10.00 C ATOM 216 C HIS A 15 -0.494 -8.919 2.867 1.00 10.00 C ATOM 217 O HIS A 15 -0.324 -7.746 2.527 1.00 10.00 O ATOM 218 CB HIS A 15 0.257 -9.574 0.526 1.00 10.00 C ATOM 219 CG HIS A 15 0.762 -10.659 -0.390 1.00 10.00 C ATOM 220 ND1 HIS A 15 2.068 -10.848 -0.785 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.002 -11.579 -1.056 1.00 10.00 C ATOM 222 CE1 HIS A 15 2.083 -11.859 -1.669 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.847 -12.344 -1.860 1.00 10.00 N ATOM 0 H HIS A 15 -2.173 -10.323 0.977 1.00 10.00 H new ATOM 0 HA HIS A 15 0.432 -10.751 2.294 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.523 -9.016 0.008 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.071 -8.877 0.722 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.073 -11.693 -0.974 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.970 -12.231 -2.160 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.580 -13.117 -2.470 1.00 10.00 H new ATOM 231 N ASN A 16 -0.829 -9.284 4.110 1.00 10.00 N ATOM 232 CA ASN A 16 -1.110 -8.360 5.214 1.00 10.00 C ATOM 233 C ASN A 16 -0.198 -8.587 6.424 1.00 10.00 C ATOM 234 O ASN A 16 -0.460 -8.034 7.488 1.00 10.00 O ATOM 235 CB ASN A 16 -2.574 -8.506 5.674 1.00 10.00 C ATOM 236 CG ASN A 16 -2.805 -9.823 6.420 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.916 -9.866 7.642 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.840 -10.929 5.686 1.00 10.00 N ATOM 0 H ASN A 16 -0.915 -10.263 4.384 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.923 -7.358 4.829 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.837 -7.670 6.322 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.234 -8.458 4.808 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.961 -11.836 6.136 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.746 -10.871 4.672 1.00 10.00 H new ATOM 245 N ASN A 17 0.814 -9.457 6.332 1.00 10.00 N ATOM 246 CA ASN A 17 1.406 -10.041 7.535 1.00 10.00 C ATOM 247 C ASN A 17 2.771 -10.664 7.245 1.00 10.00 C ATOM 248 O ASN A 17 3.197 -10.746 6.092 1.00 10.00 O ATOM 249 CB ASN A 17 0.434 -11.074 8.141 1.00 10.00 C ATOM 250 CG ASN A 17 0.502 -11.150 9.666 1.00 10.00 C ATOM 251 OD1 ASN A 17 1.562 -10.986 10.262 1.00 10.00 O ATOM 252 ND2 ASN A 17 -0.628 -11.403 10.318 1.00 10.00 N ATOM 0 H ASN A 17 1.232 -9.766 5.454 1.00 10.00 H new ATOM 0 HA ASN A 17 1.572 -9.246 8.262 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -0.584 -10.823 7.842 1.00 10.00 H new ATOM 0 HB3 ASN A 17 0.655 -12.057 7.725 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -0.627 -11.465 11.336 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -1.497 -11.536 9.800 1.00 10.00 H new ATOM 259 N SER A 18 3.469 -11.090 8.302 1.00 10.00 N ATOM 260 CA SER A 18 4.827 -11.612 8.289 1.00 10.00 C ATOM 261 C SER A 18 5.784 -10.489 7.881 1.00 10.00 C ATOM 262 O SER A 18 6.426 -9.870 8.728 1.00 10.00 O ATOM 263 CB SER A 18 4.921 -12.889 7.434 1.00 10.00 C ATOM 264 OG SER A 18 6.140 -13.566 7.669 1.00 10.00 O ATOM 0 H SER A 18 3.072 -11.076 9.242 1.00 10.00 H new ATOM 0 HA SER A 18 5.130 -11.934 9.285 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.084 -13.548 7.665 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.842 -12.631 6.378 1.00 10.00 H new ATOM 0 HG SER A 18 6.177 -14.375 7.117 1.00 10.00 H new ATOM 270 N LYS A 19 5.810 -10.162 6.592 1.00 10.00 N ATOM 271 CA LYS A 19 6.489 -9.006 6.032 1.00 10.00 C ATOM 272 C LYS A 19 5.650 -8.459 4.879 1.00 10.00 C ATOM 273 O LYS A 19 5.454 -7.249 4.811 1.00 10.00 O ATOM 274 CB LYS A 19 7.922 -9.356 5.589 1.00 10.00 C ATOM 275 CG LYS A 19 8.960 -8.823 6.592 1.00 10.00 C ATOM 276 CD LYS A 19 10.396 -9.084 6.104 1.00 10.00 C ATOM 277 CE LYS A 19 11.485 -8.561 7.068 1.00 10.00 C ATOM 278 NZ LYS A 19 11.713 -7.093 6.992 1.00 10.00 N ATOM 0 H LYS A 19 5.337 -10.722 5.882 1.00 10.00 H new ATOM 0 HA LYS A 19 6.589 -8.234 6.795 1.00 10.00 H new ATOM 0 HB2 LYS A 19 8.023 -10.437 5.497 1.00 10.00 H new ATOM 0 HB3 LYS A 19 8.114 -8.933 4.603 1.00 10.00 H new ATOM 0 HG2 LYS A 19 8.812 -7.753 6.737 1.00 10.00 H new ATOM 0 HG3 LYS A 19 8.811 -9.300 7.561 1.00 10.00 H new ATOM 0 HD2 LYS A 19 10.533 -10.156 5.963 1.00 10.00 H new ATOM 0 HD3 LYS A 19 10.530 -8.614 5.130 1.00 10.00 H new ATOM 0 HE2 LYS A 19 11.206 -8.822 8.089 1.00 10.00 H new ATOM 0 HE3 LYS A 19 12.422 -9.074 6.853 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 12.456 -6.822 7.667 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 12.010 -6.837 6.029 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 10.832 -6.592 7.227 1.00 10.00 H new ATOM 292 N SER A 20 5.165 -9.333 3.987 1.00 10.00 N ATOM 293 CA SER A 20 4.363 -8.930 2.838 1.00 10.00 C ATOM 294 C SER A 20 3.274 -7.927 3.225 1.00 10.00 C ATOM 295 O SER A 20 2.367 -8.258 3.988 1.00 10.00 O ATOM 296 CB SER A 20 3.780 -10.138 2.087 1.00 10.00 C ATOM 297 OG SER A 20 4.295 -10.185 0.765 1.00 10.00 O ATOM 0 H SER A 20 5.321 -10.339 4.047 1.00 10.00 H new ATOM 0 HA SER A 20 5.038 -8.422 2.149 1.00 10.00 H new ATOM 0 HB2 SER A 20 4.028 -11.059 2.615 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.693 -10.069 2.060 1.00 10.00 H new ATOM 0 HG SER A 20 3.676 -10.682 0.190 1.00 10.00 H new ATOM 303 N THR A 21 3.408 -6.709 2.695 1.00 10.00 N ATOM 304 CA THR A 21 2.557 -5.566 2.954 1.00 10.00 C ATOM 305 C THR A 21 2.093 -5.032 1.600 1.00 10.00 C ATOM 306 O THR A 21 2.697 -4.112 1.046 1.00 10.00 O ATOM 307 CB THR A 21 3.358 -4.531 3.756 1.00 10.00 C ATOM 308 OG1 THR A 21 3.732 -5.105 4.993 1.00 10.00 O ATOM 309 CG2 THR A 21 2.594 -3.230 4.025 1.00 10.00 C ATOM 0 H THR A 21 4.158 -6.491 2.038 1.00 10.00 H new ATOM 0 HA THR A 21 1.678 -5.822 3.546 1.00 10.00 H new ATOM 0 HB THR A 21 4.225 -4.266 3.151 1.00 10.00 H new ATOM 0 HG1 THR A 21 4.315 -5.877 4.833 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.225 -2.549 4.596 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.323 -2.765 3.077 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.690 -3.450 4.593 1.00 10.00 H new ATOM 317 N TRP A 22 1.029 -5.635 1.068 1.00 10.00 N ATOM 318 CA TRP A 22 0.325 -5.135 -0.098 1.00 10.00 C ATOM 319 C TRP A 22 -0.942 -4.428 0.374 1.00 10.00 C ATOM 320 O TRP A 22 -1.347 -4.587 1.524 1.00 10.00 O ATOM 321 CB TRP A 22 -0.064 -6.302 -0.998 1.00 10.00 C ATOM 322 CG TRP A 22 1.017 -7.079 -1.688 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.354 -6.951 -1.543 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.836 -8.021 -2.779 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.996 -7.704 -2.509 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.101 -8.353 -3.331 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.295 -8.587 -3.386 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.227 -9.157 -4.476 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.202 -9.304 -4.588 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.062 -9.611 -5.124 1.00 10.00 C ATOM 0 H TRP A 22 0.632 -6.496 1.445 1.00 10.00 H new ATOM 0 HA TRP A 22 0.963 -4.448 -0.653 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.641 -7.004 -0.396 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.734 -5.916 -1.767 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.845 -6.353 -0.789 1.00 10.00 H new ATOM 0 HE1 TRP A 22 4.010 -7.771 -2.602 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.260 -8.468 -2.917 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.203 -9.423 -4.854 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.099 -9.620 -5.101 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.139 -10.193 -6.030 1.00 10.00 H new ATOM 341 N LEU A 23 -1.579 -3.653 -0.505 1.00 10.00 N ATOM 342 CA LEU A 23 -2.753 -2.857 -0.179 1.00 10.00 C ATOM 343 C LEU A 23 -3.303 -2.226 -1.455 1.00 10.00 C ATOM 344 O LEU A 23 -2.640 -2.271 -2.493 1.00 10.00 O ATOM 345 CB LEU A 23 -2.441 -1.821 0.917 1.00 10.00 C ATOM 346 CG LEU A 23 -1.096 -1.099 0.735 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.215 0.084 -0.217 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.621 -0.556 2.077 1.00 10.00 C ATOM 0 H LEU A 23 -1.285 -3.562 -1.478 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.528 -3.501 0.237 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.239 -1.079 0.938 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.445 -2.321 1.886 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.394 -1.825 0.325 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.244 0.568 -0.319 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.550 -0.267 -1.193 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.936 0.799 0.179 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.333 -0.045 1.946 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.358 0.146 2.467 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.497 -1.380 2.780 1.00 10.00 H new ATOM 360 N ILE A 24 -4.516 -1.664 -1.367 1.00 10.00 N ATOM 361 CA ILE A 24 -5.276 -1.113 -2.486 1.00 10.00 C ATOM 362 C ILE A 24 -5.535 0.370 -2.223 1.00 10.00 C ATOM 363 O ILE A 24 -6.282 0.726 -1.304 1.00 10.00 O ATOM 364 CB ILE A 24 -6.597 -1.882 -2.684 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.319 -3.317 -3.161 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.488 -1.190 -3.733 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.376 -4.295 -2.637 1.00 10.00 C ATOM 0 H ILE A 24 -5.010 -1.580 -0.478 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.701 -1.220 -3.406 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.109 -1.899 -1.722 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.305 -3.344 -4.251 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.332 -3.630 -2.822 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.413 -1.753 -3.853 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.720 -0.178 -3.402 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.962 -1.149 -4.687 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.150 -5.300 -2.993 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.371 -4.286 -1.547 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.360 -3.995 -2.998 1.00 10.00 H new ATOM 379 N LEU A 25 -4.924 1.224 -3.046 1.00 10.00 N ATOM 380 CA LEU A 25 -5.145 2.659 -3.056 1.00 10.00 C ATOM 381 C LEU A 25 -5.795 2.977 -4.402 1.00 10.00 C ATOM 382 O LEU A 25 -5.185 2.754 -5.445 1.00 10.00 O ATOM 383 CB LEU A 25 -3.811 3.401 -2.885 1.00 10.00 C ATOM 384 CG LEU A 25 -3.242 3.622 -1.478 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.736 2.590 -0.492 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.708 3.660 -1.496 1.00 10.00 C ATOM 0 H LEU A 25 -4.243 0.921 -3.742 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.786 2.979 -2.235 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.060 2.858 -3.459 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.921 4.381 -3.350 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.607 4.593 -1.144 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.305 2.789 0.489 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.823 2.639 -0.428 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.437 1.596 -0.825 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.336 3.818 -0.484 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.325 2.714 -1.880 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.372 4.475 -2.137 1.00 10.00 H new ATOM 398 N HIS A 26 -7.045 3.445 -4.393 1.00 10.00 N ATOM 399 CA HIS A 26 -7.786 3.848 -5.588 1.00 10.00 C ATOM 400 C HIS A 26 -7.797 2.743 -6.642 1.00 10.00 C ATOM 401 O HIS A 26 -7.456 2.970 -7.804 1.00 10.00 O ATOM 402 CB HIS A 26 -7.230 5.153 -6.175 1.00 10.00 C ATOM 403 CG HIS A 26 -7.133 6.265 -5.172 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.138 7.135 -4.818 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.037 6.553 -4.409 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.649 7.937 -3.858 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.378 7.609 -3.569 1.00 10.00 N ATOM 0 H HIS A 26 -7.582 3.557 -3.533 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.817 4.026 -5.282 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.241 4.963 -6.592 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.867 5.472 -7.000 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.079 7.165 -5.211 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.081 6.053 -4.450 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.201 8.735 -3.384 1.00 10.00 H new ATOM 415 N TYR A 27 -8.176 1.537 -6.214 1.00 10.00 N ATOM 416 CA TYR A 27 -8.256 0.358 -7.065 1.00 10.00 C ATOM 417 C TYR A 27 -6.899 -0.013 -7.681 1.00 10.00 C ATOM 418 O TYR A 27 -6.865 -0.763 -8.655 1.00 10.00 O ATOM 419 CB TYR A 27 -9.327 0.557 -8.151 1.00 10.00 C ATOM 420 CG TYR A 27 -10.673 1.090 -7.688 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.317 0.533 -6.565 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.369 2.007 -8.500 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.671 0.816 -6.313 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.714 2.312 -8.228 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.369 1.709 -7.143 1.00 10.00 C ATOM 426 OH TYR A 27 -14.691 1.957 -6.934 1.00 10.00 O ATOM 0 H TYR A 27 -8.440 1.354 -5.246 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.548 -0.482 -6.435 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.929 1.241 -8.901 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.491 -0.400 -8.647 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.769 -0.113 -5.896 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.868 2.477 -9.333 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.175 0.347 -5.481 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.245 3.012 -8.856 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.013 2.600 -7.600 1.00 10.00 H new ATOM 436 N LYS A 28 -5.789 0.488 -7.125 1.00 10.00 N ATOM 437 CA LYS A 28 -4.441 0.252 -7.614 1.00 10.00 C ATOM 438 C LYS A 28 -3.665 -0.477 -6.524 1.00 10.00 C ATOM 439 O LYS A 28 -3.713 -0.047 -5.367 1.00 10.00 O ATOM 440 CB LYS A 28 -3.796 1.602 -7.951 1.00 10.00 C ATOM 441 CG LYS A 28 -2.840 1.531 -9.150 1.00 10.00 C ATOM 442 CD LYS A 28 -3.479 2.252 -10.342 1.00 10.00 C ATOM 443 CE LYS A 28 -3.461 3.773 -10.135 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.705 4.394 -10.629 1.00 10.00 N ATOM 0 H LYS A 28 -5.814 1.085 -6.299 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.443 -0.360 -8.516 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.580 2.330 -8.162 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.250 1.965 -7.080 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -1.886 1.993 -8.898 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.633 0.492 -9.406 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.942 1.999 -11.256 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.506 1.910 -10.471 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.336 3.997 -9.076 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -2.605 4.203 -10.655 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.664 5.422 -10.476 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.811 4.199 -11.645 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.518 3.999 -10.115 1.00 10.00 H new ATOM 458 N VAL A 29 -2.985 -1.578 -6.866 1.00 10.00 N ATOM 459 CA VAL A 29 -2.247 -2.352 -5.889 1.00 10.00 C ATOM 460 C VAL A 29 -0.792 -1.895 -5.863 1.00 10.00 C ATOM 461 O VAL A 29 -0.127 -1.816 -6.902 1.00 10.00 O ATOM 462 CB VAL A 29 -2.354 -3.852 -6.167 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.851 -4.625 -4.948 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.802 -4.271 -6.410 1.00 10.00 C ATOM 0 H VAL A 29 -2.937 -1.945 -7.817 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.686 -2.180 -4.906 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.760 -4.069 -7.054 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.925 -5.695 -5.140 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.811 -4.362 -4.754 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.458 -4.370 -4.079 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.843 -5.343 -6.605 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.401 -4.039 -5.529 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.198 -3.731 -7.270 1.00 10.00 H new ATOM 474 N TYR A 30 -0.311 -1.620 -4.651 1.00 10.00 N ATOM 475 CA TYR A 30 1.046 -1.189 -4.385 1.00 10.00 C ATOM 476 C TYR A 30 1.696 -2.186 -3.436 1.00 10.00 C ATOM 477 O TYR A 30 1.125 -2.475 -2.383 1.00 10.00 O ATOM 478 CB TYR A 30 0.986 0.215 -3.780 1.00 10.00 C ATOM 479 CG TYR A 30 0.475 1.249 -4.763 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.265 1.600 -5.869 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.830 1.763 -4.658 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.789 2.529 -6.808 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.257 2.774 -5.540 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.425 3.187 -6.589 1.00 10.00 C ATOM 485 OH TYR A 30 -0.734 4.295 -7.318 1.00 10.00 O ATOM 0 H TYR A 30 -0.878 -1.696 -3.807 1.00 10.00 H new ATOM 0 HA TYR A 30 1.644 -1.151 -5.295 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.339 0.202 -2.903 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.980 0.503 -3.439 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.240 1.155 -5.998 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.503 1.383 -3.903 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.361 2.736 -7.700 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.226 3.231 -5.408 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.070 4.995 -7.147 1.00 10.00 H new ATOM 495 N ASP A 31 2.872 -2.707 -3.805 1.00 10.00 N ATOM 496 CA ASP A 31 3.687 -3.519 -2.910 1.00 10.00 C ATOM 497 C ASP A 31 4.758 -2.618 -2.314 1.00 10.00 C ATOM 498 O ASP A 31 5.615 -2.123 -3.045 1.00 10.00 O ATOM 499 CB ASP A 31 4.343 -4.691 -3.649 1.00 10.00 C ATOM 500 CG ASP A 31 5.126 -5.592 -2.699 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.344 -5.183 -1.538 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.416 -6.739 -3.098 1.00 10.00 O ATOM 0 H ASP A 31 3.280 -2.575 -4.731 1.00 10.00 H new ATOM 0 HA ASP A 31 3.054 -3.944 -2.131 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.576 -5.276 -4.156 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.012 -4.307 -4.419 1.00 10.00 H new ATOM 507 N LEU A 32 4.704 -2.393 -1.000 1.00 10.00 N ATOM 508 CA LEU A 32 5.716 -1.653 -0.274 1.00 10.00 C ATOM 509 C LEU A 32 6.353 -2.546 0.797 1.00 10.00 C ATOM 510 O LEU A 32 6.907 -2.046 1.774 1.00 10.00 O ATOM 511 CB LEU A 32 5.076 -0.396 0.318 1.00 10.00 C ATOM 512 CG LEU A 32 4.265 0.402 -0.726 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.774 0.344 -0.378 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.822 1.822 -0.815 1.00 10.00 C ATOM 0 H LEU A 32 3.942 -2.728 -0.410 1.00 10.00 H new ATOM 0 HA LEU A 32 6.519 -1.342 -0.943 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.422 -0.679 1.143 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.855 0.243 0.734 1.00 10.00 H new ATOM 0 HG LEU A 32 4.363 -0.038 -1.718 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.206 0.908 -1.117 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.440 -0.694 -0.379 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.614 0.776 0.610 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.253 2.390 -1.551 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.742 2.306 0.158 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.869 1.784 -1.116 1.00 10.00 H new ATOM 526 N THR A 33 6.312 -3.868 0.605 1.00 10.00 N ATOM 527 CA THR A 33 6.904 -4.859 1.496 1.00 10.00 C ATOM 528 C THR A 33 8.360 -4.519 1.805 1.00 10.00 C ATOM 529 O THR A 33 8.774 -4.546 2.962 1.00 10.00 O ATOM 530 CB THR A 33 6.775 -6.252 0.867 1.00 10.00 C ATOM 531 OG1 THR A 33 5.404 -6.544 0.682 1.00 10.00 O ATOM 532 CG2 THR A 33 7.432 -7.340 1.720 1.00 10.00 C ATOM 0 H THR A 33 5.850 -4.287 -0.202 1.00 10.00 H new ATOM 0 HA THR A 33 6.367 -4.852 2.444 1.00 10.00 H new ATOM 0 HB THR A 33 7.297 -6.242 -0.090 1.00 10.00 H new ATOM 0 HG1 THR A 33 5.061 -6.033 -0.081 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.313 -8.307 1.231 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.493 -7.120 1.836 1.00 10.00 H new ATOM 0 HG23 THR A 33 6.958 -7.369 2.701 1.00 10.00 H new ATOM 540 N LYS A 34 9.139 -4.181 0.773 1.00 10.00 N ATOM 541 CA LYS A 34 10.541 -3.840 0.938 1.00 10.00 C ATOM 542 C LYS A 34 10.715 -2.327 1.117 1.00 10.00 C ATOM 543 O LYS A 34 11.805 -1.810 0.889 1.00 10.00 O ATOM 544 CB LYS A 34 11.352 -4.371 -0.255 1.00 10.00 C ATOM 545 CG LYS A 34 12.792 -4.641 0.203 1.00 10.00 C ATOM 546 CD LYS A 34 13.805 -4.492 -0.936 1.00 10.00 C ATOM 547 CE LYS A 34 15.225 -4.628 -0.363 1.00 10.00 C ATOM 548 NZ LYS A 34 16.266 -4.310 -1.362 1.00 10.00 N ATOM 0 H LYS A 34 8.811 -4.138 -0.192 1.00 10.00 H new ATOM 0 HA LYS A 34 10.920 -4.316 1.842 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.901 -5.286 -0.640 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.345 -3.645 -1.068 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.050 -3.952 1.007 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.857 -5.649 0.614 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.631 -5.253 -1.696 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.686 -3.523 -1.422 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.333 -3.964 0.495 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.372 -5.645 0.000 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 17.206 -4.416 -0.930 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 16.182 -4.959 -2.170 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 16.144 -3.331 -1.691 1.00 10.00 H new ATOM 562 N PHE A 35 9.650 -1.620 1.507 1.00 10.00 N ATOM 563 CA PHE A 35 9.675 -0.191 1.768 1.00 10.00 C ATOM 564 C PHE A 35 9.175 0.114 3.183 1.00 10.00 C ATOM 565 O PHE A 35 8.968 1.272 3.517 1.00 10.00 O ATOM 566 CB PHE A 35 8.816 0.538 0.730 1.00 10.00 C ATOM 567 CG PHE A 35 9.197 1.986 0.460 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.508 2.316 0.066 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.242 3.010 0.614 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.860 3.655 -0.174 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.596 4.351 0.381 1.00 10.00 C ATOM 572 CZ PHE A 35 9.906 4.674 -0.013 1.00 10.00 C ATOM 0 H PHE A 35 8.732 -2.040 1.651 1.00 10.00 H new ATOM 0 HA PHE A 35 10.704 0.160 1.692 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.867 -0.013 -0.209 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.778 0.510 1.060 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.246 1.537 -0.052 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.234 2.764 0.912 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.865 3.901 -0.483 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.861 5.133 0.505 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.179 5.704 -0.192 1.00 10.00 H new ATOM 582 N LEU A 36 8.951 -0.900 4.021 1.00 10.00 N ATOM 583 CA LEU A 36 8.408 -0.704 5.359 1.00 10.00 C ATOM 584 C LEU A 36 9.299 0.219 6.191 1.00 10.00 C ATOM 585 O LEU A 36 8.876 1.294 6.605 1.00 10.00 O ATOM 586 CB LEU A 36 8.243 -2.075 6.025 1.00 10.00 C ATOM 587 CG LEU A 36 7.086 -2.881 5.417 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.137 -4.310 5.963 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.736 -2.240 5.756 1.00 10.00 C ATOM 0 H LEU A 36 9.141 -1.875 3.789 1.00 10.00 H new ATOM 0 HA LEU A 36 7.436 -0.216 5.290 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.170 -2.640 5.923 1.00 10.00 H new ATOM 0 HB3 LEU A 36 8.068 -1.940 7.092 1.00 10.00 H new ATOM 0 HG LEU A 36 7.191 -2.892 4.332 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.319 -4.892 5.537 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.088 -4.769 5.692 1.00 10.00 H new ATOM 0 HD13 LEU A 36 7.040 -4.288 7.048 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.932 -2.829 5.314 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.610 -2.208 6.838 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.704 -1.226 5.357 1.00 10.00 H new ATOM 601 N GLU A 37 10.539 -0.211 6.422 1.00 10.00 N ATOM 602 CA GLU A 37 11.535 0.529 7.183 1.00 10.00 C ATOM 603 C GLU A 37 11.883 1.850 6.475 1.00 10.00 C ATOM 604 O GLU A 37 12.187 2.849 7.121 1.00 10.00 O ATOM 605 CB GLU A 37 12.750 -0.391 7.383 1.00 10.00 C ATOM 606 CG GLU A 37 12.399 -1.578 8.308 1.00 10.00 C ATOM 607 CD GLU A 37 13.230 -2.835 8.040 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.465 -2.737 8.191 1.00 10.00 O ATOM 609 OE2 GLU A 37 12.618 -3.877 7.693 1.00 10.00 O ATOM 0 H GLU A 37 10.883 -1.106 6.075 1.00 10.00 H new ATOM 0 HA GLU A 37 11.153 0.814 8.163 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.090 -0.766 6.417 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.575 0.178 7.812 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.542 -1.273 9.345 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.343 -1.820 8.189 1.00 10.00 H new ATOM 616 N GLU A 38 11.824 1.846 5.141 1.00 10.00 N ATOM 617 CA GLU A 38 12.144 2.982 4.291 1.00 10.00 C ATOM 618 C GLU A 38 11.085 4.087 4.410 1.00 10.00 C ATOM 619 O GLU A 38 11.419 5.269 4.439 1.00 10.00 O ATOM 620 CB GLU A 38 12.211 2.487 2.843 1.00 10.00 C ATOM 621 CG GLU A 38 13.251 1.381 2.594 1.00 10.00 C ATOM 622 CD GLU A 38 14.589 1.961 2.160 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.758 2.115 0.931 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.410 2.241 3.058 1.00 10.00 O ATOM 0 H GLU A 38 11.542 1.021 4.611 1.00 10.00 H new ATOM 0 HA GLU A 38 13.099 3.406 4.603 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.228 2.116 2.554 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.436 3.333 2.193 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.385 0.795 3.503 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.883 0.700 1.827 1.00 10.00 H new ATOM 631 N HIS A 39 9.801 3.708 4.413 1.00 10.00 N ATOM 632 CA HIS A 39 8.673 4.632 4.343 1.00 10.00 C ATOM 633 C HIS A 39 8.706 5.573 5.553 1.00 10.00 C ATOM 634 O HIS A 39 8.427 5.135 6.670 1.00 10.00 O ATOM 635 CB HIS A 39 7.355 3.844 4.278 1.00 10.00 C ATOM 636 CG HIS A 39 6.087 4.661 4.423 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.211 4.549 5.475 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.506 5.490 3.495 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.132 5.292 5.188 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.259 5.902 3.996 1.00 10.00 N ATOM 0 H HIS A 39 9.516 2.730 4.465 1.00 10.00 H new ATOM 0 HA HIS A 39 8.745 5.237 3.439 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.317 3.316 3.325 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.368 3.087 5.062 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.355 4.000 6.322 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.933 5.776 2.545 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.271 5.388 5.832 1.00 10.00 H new ATOM 648 N PRO A 40 8.994 6.872 5.360 1.00 10.00 N ATOM 649 CA PRO A 40 9.191 7.799 6.465 1.00 10.00 C ATOM 650 C PRO A 40 7.911 7.980 7.284 1.00 10.00 C ATOM 651 O PRO A 40 7.968 8.384 8.442 1.00 10.00 O ATOM 652 CB PRO A 40 9.670 9.104 5.824 1.00 10.00 C ATOM 653 CG PRO A 40 9.069 9.053 4.420 1.00 10.00 C ATOM 654 CD PRO A 40 9.113 7.563 4.084 1.00 10.00 C ATOM 0 HA PRO A 40 9.924 7.427 7.180 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.321 9.975 6.379 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.758 9.160 5.793 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.051 9.441 4.402 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.648 9.644 3.711 1.00 10.00 H new ATOM 0 HD2 PRO A 40 8.300 7.288 3.412 1.00 10.00 H new ATOM 0 HD3 PRO A 40 10.044 7.301 3.582 1.00 10.00 H new ATOM 662 N GLY A 41 6.753 7.653 6.702 1.00 10.00 N ATOM 663 CA GLY A 41 5.488 7.660 7.409 1.00 10.00 C ATOM 664 C GLY A 41 5.369 6.592 8.495 1.00 10.00 C ATOM 665 O GLY A 41 4.441 6.659 9.298 1.00 10.00 O ATOM 0 H GLY A 41 6.676 7.376 5.723 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.344 8.641 7.863 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.682 7.521 6.689 1.00 10.00 H new ATOM 669 N GLY A 42 6.266 5.601 8.509 1.00 10.00 N ATOM 670 CA GLY A 42 6.277 4.541 9.504 1.00 10.00 C ATOM 671 C GLY A 42 5.939 3.196 8.869 1.00 10.00 C ATOM 672 O GLY A 42 5.200 3.125 7.883 1.00 10.00 O ATOM 0 H GLY A 42 7.011 5.518 7.818 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.259 4.489 9.975 1.00 10.00 H new ATOM 0 HA3 GLY A 42 5.557 4.768 10.291 1.00 10.00 H new ATOM 676 N GLU A 43 6.472 2.128 9.455 1.00 10.00 N ATOM 677 CA GLU A 43 6.257 0.754 9.053 1.00 10.00 C ATOM 678 C GLU A 43 4.939 0.256 9.644 1.00 10.00 C ATOM 679 O GLU A 43 4.135 -0.366 8.952 1.00 10.00 O ATOM 680 CB GLU A 43 7.465 -0.106 9.474 1.00 10.00 C ATOM 681 CG GLU A 43 7.672 -0.404 10.974 1.00 10.00 C ATOM 682 CD GLU A 43 7.935 0.826 11.835 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.976 1.617 11.978 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.076 0.959 12.318 1.00 10.00 O ATOM 0 H GLU A 43 7.093 2.208 10.260 1.00 10.00 H new ATOM 0 HA GLU A 43 6.177 0.679 7.969 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.389 -1.061 8.954 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.366 0.386 9.107 1.00 10.00 H new ATOM 0 HG2 GLU A 43 6.788 -0.915 11.355 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.510 -1.093 11.082 1.00 10.00 H new ATOM 691 N ALA A 44 4.719 0.538 10.930 1.00 10.00 N ATOM 692 CA ALA A 44 3.586 0.051 11.698 1.00 10.00 C ATOM 693 C ALA A 44 2.273 0.392 10.998 1.00 10.00 C ATOM 694 O ALA A 44 1.472 -0.495 10.716 1.00 10.00 O ATOM 695 CB ALA A 44 3.639 0.635 13.113 1.00 10.00 C ATOM 0 H ALA A 44 5.346 1.129 11.476 1.00 10.00 H new ATOM 0 HA ALA A 44 3.639 -1.035 11.771 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.789 0.270 13.689 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.565 0.328 13.599 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.600 1.723 13.059 1.00 10.00 H new ATOM 701 N VAL A 45 2.062 1.674 10.693 1.00 10.00 N ATOM 702 CA VAL A 45 0.851 2.136 10.028 1.00 10.00 C ATOM 703 C VAL A 45 0.646 1.403 8.695 1.00 10.00 C ATOM 704 O VAL A 45 -0.451 0.920 8.410 1.00 10.00 O ATOM 705 CB VAL A 45 0.860 3.672 9.912 1.00 10.00 C ATOM 706 CG1 VAL A 45 2.023 4.229 9.078 1.00 10.00 C ATOM 707 CG2 VAL A 45 -0.471 4.181 9.348 1.00 10.00 C ATOM 0 H VAL A 45 2.728 2.418 10.902 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.021 1.885 10.632 1.00 10.00 H new ATOM 0 HB VAL A 45 1.002 4.040 10.928 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.958 5.317 9.044 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.970 3.936 9.532 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.968 3.831 8.065 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.443 5.268 9.274 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.634 3.754 8.358 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.284 3.883 10.010 1.00 10.00 H new ATOM 717 N LEU A 46 1.709 1.273 7.895 1.00 10.00 N ATOM 718 CA LEU A 46 1.650 0.525 6.646 1.00 10.00 C ATOM 719 C LEU A 46 1.226 -0.920 6.912 1.00 10.00 C ATOM 720 O LEU A 46 0.340 -1.441 6.242 1.00 10.00 O ATOM 721 CB LEU A 46 3.005 0.566 5.913 1.00 10.00 C ATOM 722 CG LEU A 46 3.031 1.527 4.714 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.455 1.584 4.148 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.102 1.060 3.588 1.00 10.00 C ATOM 0 H LEU A 46 2.622 1.680 8.096 1.00 10.00 H new ATOM 0 HA LEU A 46 0.906 0.994 6.002 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.781 0.860 6.620 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.252 -0.438 5.568 1.00 10.00 H new ATOM 0 HG LEU A 46 2.697 2.503 5.068 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.481 2.264 3.297 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.139 1.940 4.918 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.759 0.588 3.826 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.150 1.767 2.760 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.416 0.075 3.243 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.079 1.006 3.960 1.00 10.00 H new ATOM 736 N ARG A 47 1.855 -1.569 7.893 1.00 10.00 N ATOM 737 CA ARG A 47 1.615 -2.968 8.214 1.00 10.00 C ATOM 738 C ARG A 47 0.166 -3.149 8.665 1.00 10.00 C ATOM 739 O ARG A 47 -0.482 -4.130 8.321 1.00 10.00 O ATOM 740 CB ARG A 47 2.603 -3.413 9.301 1.00 10.00 C ATOM 741 CG ARG A 47 2.722 -4.940 9.416 1.00 10.00 C ATOM 742 CD ARG A 47 3.475 -5.556 8.221 1.00 10.00 C ATOM 743 NE ARG A 47 4.436 -6.596 8.639 1.00 10.00 N ATOM 744 CZ ARG A 47 5.579 -6.349 9.304 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.887 -5.091 9.637 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.406 -7.344 9.645 1.00 10.00 N ATOM 0 H ARG A 47 2.553 -1.128 8.492 1.00 10.00 H new ATOM 0 HA ARG A 47 1.772 -3.590 7.333 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.585 -2.993 9.085 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.286 -3.006 10.261 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.241 -5.194 10.340 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.725 -5.377 9.480 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.756 -5.988 7.525 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.005 -4.769 7.684 1.00 10.00 H new ATOM 0 HE ARG A 47 4.219 -7.566 8.408 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.257 -4.328 9.387 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.751 -4.894 10.141 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.174 -8.307 9.401 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.269 -7.140 10.149 1.00 10.00 H new ATOM 760 N ALA A 48 -0.334 -2.187 9.439 1.00 10.00 N ATOM 761 CA ALA A 48 -1.686 -2.180 9.959 1.00 10.00 C ATOM 762 C ALA A 48 -2.703 -2.068 8.822 1.00 10.00 C ATOM 763 O ALA A 48 -3.683 -2.806 8.797 1.00 10.00 O ATOM 764 CB ALA A 48 -1.809 -1.021 10.948 1.00 10.00 C ATOM 0 H ALA A 48 0.210 -1.373 9.725 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.899 -3.116 10.475 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.820 -0.995 11.354 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.095 -1.159 11.760 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.599 -0.082 10.436 1.00 10.00 H new ATOM 770 N GLN A 49 -2.478 -1.134 7.892 1.00 10.00 N ATOM 771 CA GLN A 49 -3.361 -0.925 6.748 1.00 10.00 C ATOM 772 C GLN A 49 -3.132 -1.940 5.621 1.00 10.00 C ATOM 773 O GLN A 49 -3.940 -2.043 4.699 1.00 10.00 O ATOM 774 CB GLN A 49 -3.197 0.520 6.256 1.00 10.00 C ATOM 775 CG GLN A 49 -4.256 1.445 6.877 1.00 10.00 C ATOM 776 CD GLN A 49 -5.668 1.118 6.385 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.847 0.299 5.496 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.698 1.748 6.940 1.00 10.00 N ATOM 0 H GLN A 49 -1.677 -0.503 7.915 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.389 -1.088 7.072 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.201 0.882 6.510 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.279 0.548 5.169 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.222 1.357 7.963 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.019 2.481 6.634 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.539 2.430 7.682 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.647 1.549 6.624 1.00 10.00 H new ATOM 787 N ALA A 50 -2.027 -2.685 5.662 1.00 10.00 N ATOM 788 CA ALA A 50 -1.786 -3.764 4.718 1.00 10.00 C ATOM 789 C ALA A 50 -2.983 -4.717 4.647 1.00 10.00 C ATOM 790 O ALA A 50 -3.620 -5.002 5.659 1.00 10.00 O ATOM 791 CB ALA A 50 -0.543 -4.551 5.120 1.00 10.00 C ATOM 0 H ALA A 50 -1.282 -2.555 6.347 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.636 -3.315 3.736 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.375 -5.356 4.404 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.321 -3.887 5.129 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.686 -4.974 6.114 1.00 10.00 H new ATOM 797 N GLY A 51 -3.268 -5.227 3.450 1.00 10.00 N ATOM 798 CA GLY A 51 -4.349 -6.163 3.195 1.00 10.00 C ATOM 799 C GLY A 51 -5.356 -5.592 2.200 1.00 10.00 C ATOM 800 O GLY A 51 -5.953 -6.344 1.435 1.00 10.00 O ATOM 0 H GLY A 51 -2.736 -4.991 2.612 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.941 -7.096 2.807 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.855 -6.401 4.131 1.00 10.00 H new ATOM 804 N GLY A 52 -5.556 -4.270 2.189 1.00 10.00 N ATOM 805 CA GLY A 52 -6.546 -3.639 1.330 1.00 10.00 C ATOM 806 C GLY A 52 -7.249 -2.512 2.075 1.00 10.00 C ATOM 807 O GLY A 52 -6.916 -2.234 3.222 1.00 10.00 O ATOM 0 H GLY A 52 -5.036 -3.616 2.774 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -6.064 -3.247 0.434 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.276 -4.378 1.001 1.00 10.00 H new ATOM 811 N ASP A 53 -8.209 -1.873 1.397 1.00 10.00 N ATOM 812 CA ASP A 53 -9.005 -0.754 1.894 1.00 10.00 C ATOM 813 C ASP A 53 -8.166 0.267 2.675 1.00 10.00 C ATOM 814 O ASP A 53 -8.504 0.676 3.785 1.00 10.00 O ATOM 815 CB ASP A 53 -10.217 -1.263 2.686 1.00 10.00 C ATOM 816 CG ASP A 53 -11.191 -0.135 3.015 1.00 10.00 C ATOM 817 OD1 ASP A 53 -11.178 0.871 2.268 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.952 -0.312 3.990 1.00 10.00 O ATOM 0 H ASP A 53 -8.461 -2.137 0.444 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.386 -0.208 1.031 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.732 -2.032 2.109 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.877 -1.731 3.610 1.00 10.00 H new ATOM 823 N ALA A 54 -7.063 0.705 2.058 1.00 10.00 N ATOM 824 CA ALA A 54 -6.209 1.743 2.620 1.00 10.00 C ATOM 825 C ALA A 54 -6.360 3.040 1.843 1.00 10.00 C ATOM 826 O ALA A 54 -5.653 4.000 2.132 1.00 10.00 O ATOM 827 CB ALA A 54 -4.750 1.294 2.611 1.00 10.00 C ATOM 0 H ALA A 54 -6.743 0.348 1.158 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.517 1.918 3.651 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.125 2.080 3.034 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.645 0.387 3.206 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.437 1.094 1.586 1.00 10.00 H new ATOM 833 N THR A 55 -7.258 3.087 0.854 1.00 10.00 N ATOM 834 CA THR A 55 -7.424 4.261 0.017 1.00 10.00 C ATOM 835 C THR A 55 -7.744 5.473 0.901 1.00 10.00 C ATOM 836 O THR A 55 -7.042 6.482 0.868 1.00 10.00 O ATOM 837 CB THR A 55 -8.500 3.980 -1.045 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.143 2.864 -1.846 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.648 5.177 -1.983 1.00 10.00 C ATOM 0 H THR A 55 -7.882 2.315 0.619 1.00 10.00 H new ATOM 0 HA THR A 55 -6.504 4.494 -0.519 1.00 10.00 H new ATOM 0 HB THR A 55 -9.431 3.784 -0.514 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.578 2.255 -1.326 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.413 4.962 -2.729 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.938 6.056 -1.408 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.698 5.368 -2.482 1.00 10.00 H new ATOM 847 N ALA A 56 -8.776 5.341 1.739 1.00 10.00 N ATOM 848 CA ALA A 56 -9.212 6.406 2.630 1.00 10.00 C ATOM 849 C ALA A 56 -8.069 6.856 3.540 1.00 10.00 C ATOM 850 O ALA A 56 -7.851 8.047 3.723 1.00 10.00 O ATOM 851 CB ALA A 56 -10.413 5.928 3.450 1.00 10.00 C ATOM 0 H ALA A 56 -9.330 4.488 1.815 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.514 7.267 2.034 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.739 6.726 4.117 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.229 5.660 2.778 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.128 5.057 4.039 1.00 10.00 H new ATOM 857 N ASN A 57 -7.339 5.899 4.116 1.00 10.00 N ATOM 858 CA ASN A 57 -6.241 6.169 5.037 1.00 10.00 C ATOM 859 C ASN A 57 -5.108 6.918 4.327 1.00 10.00 C ATOM 860 O ASN A 57 -4.640 7.953 4.801 1.00 10.00 O ATOM 861 CB ASN A 57 -5.759 4.851 5.665 1.00 10.00 C ATOM 862 CG ASN A 57 -5.886 4.871 7.185 1.00 10.00 C ATOM 863 OD1 ASN A 57 -4.898 4.960 7.903 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.107 4.755 7.700 1.00 10.00 N ATOM 0 H ASN A 57 -7.498 4.905 3.952 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.592 6.817 5.840 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.341 4.022 5.262 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.719 4.675 5.389 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.234 4.739 8.712 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.916 4.682 7.083 1.00 10.00 H new ATOM 871 N PHE A 58 -4.674 6.400 3.176 1.00 10.00 N ATOM 872 CA PHE A 58 -3.682 7.049 2.324 1.00 10.00 C ATOM 873 C PHE A 58 -4.058 8.511 2.050 1.00 10.00 C ATOM 874 O PHE A 58 -3.247 9.420 2.263 1.00 10.00 O ATOM 875 CB PHE A 58 -3.560 6.252 1.023 1.00 10.00 C ATOM 876 CG PHE A 58 -2.633 6.865 -0.005 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.244 6.683 0.102 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.160 7.616 -1.073 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.384 7.223 -0.869 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.301 8.165 -2.037 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.913 7.958 -1.945 1.00 10.00 C ATOM 0 H PHE A 58 -5.006 5.509 2.808 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.718 7.063 2.832 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.207 5.248 1.259 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.551 6.146 0.582 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.836 6.126 0.933 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.226 7.770 -1.150 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.683 7.074 -0.789 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.706 8.748 -2.851 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.255 8.363 -2.699 1.00 10.00 H new ATOM 891 N GLU A 59 -5.294 8.729 1.594 1.00 10.00 N ATOM 892 CA GLU A 59 -5.808 10.064 1.319 1.00 10.00 C ATOM 893 C GLU A 59 -5.863 10.913 2.591 1.00 10.00 C ATOM 894 O GLU A 59 -5.520 12.091 2.564 1.00 10.00 O ATOM 895 CB GLU A 59 -7.192 9.962 0.673 1.00 10.00 C ATOM 896 CG GLU A 59 -7.131 9.326 -0.721 1.00 10.00 C ATOM 897 CD GLU A 59 -6.528 10.273 -1.754 1.00 10.00 C ATOM 898 OE1 GLU A 59 -5.289 10.238 -1.916 1.00 10.00 O ATOM 899 OE2 GLU A 59 -7.327 11.019 -2.361 1.00 10.00 O ATOM 0 H GLU A 59 -5.963 7.982 1.407 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.128 10.560 0.626 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.848 9.371 1.312 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.631 10.957 0.599 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.539 8.412 -0.677 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.135 9.040 -1.034 1.00 10.00 H new ATOM 906 N ALA A 60 -6.298 10.323 3.708 1.00 10.00 N ATOM 907 CA ALA A 60 -6.386 11.005 4.991 1.00 10.00 C ATOM 908 C ALA A 60 -5.030 11.587 5.390 1.00 10.00 C ATOM 909 O ALA A 60 -4.967 12.704 5.898 1.00 10.00 O ATOM 910 CB ALA A 60 -6.924 10.055 6.068 1.00 10.00 C ATOM 0 H ALA A 60 -6.600 9.349 3.742 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.086 11.835 4.895 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.983 10.581 7.021 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.917 9.707 5.783 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.255 9.200 6.167 1.00 10.00 H new ATOM 916 N VAL A 61 -3.947 10.840 5.152 1.00 10.00 N ATOM 917 CA VAL A 61 -2.600 11.372 5.323 1.00 10.00 C ATOM 918 C VAL A 61 -2.368 12.536 4.354 1.00 10.00 C ATOM 919 O VAL A 61 -1.958 13.615 4.775 1.00 10.00 O ATOM 920 CB VAL A 61 -1.561 10.256 5.141 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.136 10.821 5.123 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.685 9.228 6.271 1.00 10.00 C ATOM 0 H VAL A 61 -3.981 9.869 4.842 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.488 11.759 6.336 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.756 9.774 4.183 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.577 10.007 4.993 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.035 11.527 4.299 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.065 11.332 6.065 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.943 8.442 6.131 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.517 9.719 7.230 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.684 8.791 6.257 1.00 10.00 H new ATOM 932 N GLY A 62 -2.606 12.314 3.057 1.00 10.00 N ATOM 933 CA GLY A 62 -2.510 13.357 2.042 1.00 10.00 C ATOM 934 C GLY A 62 -1.653 12.890 0.874 1.00 10.00 C ATOM 935 O GLY A 62 -2.167 12.719 -0.226 1.00 10.00 O ATOM 0 H GLY A 62 -2.871 11.402 2.685 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.507 13.619 1.687 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.080 14.258 2.478 1.00 10.00 H new ATOM 939 N HIS A 63 -0.353 12.688 1.127 1.00 10.00 N ATOM 940 CA HIS A 63 0.619 12.174 0.165 1.00 10.00 C ATOM 941 C HIS A 63 0.776 13.087 -1.067 1.00 10.00 C ATOM 942 O HIS A 63 -0.037 13.076 -1.989 1.00 10.00 O ATOM 943 CB HIS A 63 0.293 10.716 -0.189 1.00 10.00 C ATOM 944 CG HIS A 63 0.530 9.767 0.964 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.412 9.262 1.834 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.729 9.189 1.278 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.223 8.391 2.645 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.532 8.303 2.341 1.00 10.00 N ATOM 0 H HIS A 63 0.060 12.886 2.038 1.00 10.00 H new ATOM 0 HA HIS A 63 1.602 12.181 0.636 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.749 10.647 -0.502 1.00 10.00 H new ATOM 0 HB3 HIS A 63 0.902 10.408 -1.039 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.403 9.502 1.860 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.671 9.384 0.787 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.257 7.835 3.437 1.00 10.00 H new ATOM 956 N SER A 64 1.850 13.887 -1.087 1.00 10.00 N ATOM 957 CA SER A 64 2.108 14.856 -2.150 1.00 10.00 C ATOM 958 C SER A 64 2.364 14.192 -3.511 1.00 10.00 C ATOM 959 O SER A 64 2.443 12.970 -3.634 1.00 10.00 O ATOM 960 CB SER A 64 3.274 15.772 -1.746 1.00 10.00 C ATOM 961 OG SER A 64 3.398 16.842 -2.668 1.00 10.00 O ATOM 0 H SER A 64 2.566 13.877 -0.360 1.00 10.00 H new ATOM 0 HA SER A 64 1.207 15.457 -2.275 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.107 16.164 -0.743 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.201 15.200 -1.715 1.00 10.00 H new ATOM 0 HG SER A 64 4.143 17.420 -2.400 1.00 10.00 H new ATOM 967 N THR A 65 2.509 15.018 -4.549 1.00 10.00 N ATOM 968 CA THR A 65 2.713 14.602 -5.930 1.00 10.00 C ATOM 969 C THR A 65 3.867 13.606 -6.023 1.00 10.00 C ATOM 970 O THR A 65 3.728 12.557 -6.642 1.00 10.00 O ATOM 971 CB THR A 65 2.996 15.838 -6.792 1.00 10.00 C ATOM 972 OG1 THR A 65 2.098 16.869 -6.426 1.00 10.00 O ATOM 973 CG2 THR A 65 2.847 15.537 -8.286 1.00 10.00 C ATOM 0 H THR A 65 2.486 16.032 -4.442 1.00 10.00 H new ATOM 0 HA THR A 65 1.813 14.108 -6.296 1.00 10.00 H new ATOM 0 HB THR A 65 4.027 16.147 -6.618 1.00 10.00 H new ATOM 0 HG1 THR A 65 2.273 17.664 -6.971 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.056 16.439 -8.861 1.00 10.00 H new ATOM 0 HG22 THR A 65 3.549 14.754 -8.571 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.829 15.204 -8.490 1.00 10.00 H new ATOM 981 N ASP A 66 4.990 13.932 -5.379 1.00 10.00 N ATOM 982 CA ASP A 66 6.153 13.062 -5.281 1.00 10.00 C ATOM 983 C ASP A 66 5.733 11.670 -4.839 1.00 10.00 C ATOM 984 O ASP A 66 5.981 10.688 -5.523 1.00 10.00 O ATOM 985 CB ASP A 66 7.101 13.651 -4.235 1.00 10.00 C ATOM 986 CG ASP A 66 8.393 12.852 -4.169 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.364 11.796 -3.502 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.374 13.311 -4.791 1.00 10.00 O ATOM 0 H ASP A 66 5.114 14.826 -4.904 1.00 10.00 H new ATOM 0 HA ASP A 66 6.641 12.991 -6.253 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.322 14.689 -4.481 1.00 10.00 H new ATOM 0 HB3 ASP A 66 6.618 13.651 -3.258 1.00 10.00 H new ATOM 993 N ALA A 67 5.031 11.610 -3.713 1.00 10.00 N ATOM 994 CA ALA A 67 4.553 10.364 -3.130 1.00 10.00 C ATOM 995 C ALA A 67 3.613 9.634 -4.094 1.00 10.00 C ATOM 996 O ALA A 67 3.684 8.414 -4.241 1.00 10.00 O ATOM 997 CB ALA A 67 3.876 10.628 -1.784 1.00 10.00 C ATOM 0 H ALA A 67 4.775 12.437 -3.173 1.00 10.00 H new ATOM 0 HA ALA A 67 5.410 9.715 -2.954 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.525 9.686 -1.362 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.591 11.087 -1.101 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.029 11.299 -1.928 1.00 10.00 H new ATOM 1003 N ARG A 68 2.728 10.379 -4.758 1.00 10.00 N ATOM 1004 CA ARG A 68 1.813 9.839 -5.756 1.00 10.00 C ATOM 1005 C ARG A 68 2.572 9.280 -6.960 1.00 10.00 C ATOM 1006 O ARG A 68 2.174 8.257 -7.514 1.00 10.00 O ATOM 1007 CB ARG A 68 0.804 10.920 -6.167 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.279 11.053 -5.089 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.813 12.476 -4.918 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.258 13.084 -6.180 1.00 10.00 N ATOM 1011 CZ ARG A 68 -1.905 14.259 -6.245 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.253 14.887 -5.116 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -2.197 14.800 -7.434 1.00 10.00 N ATOM 0 H ARG A 68 2.628 11.384 -4.614 1.00 10.00 H new ATOM 0 HA ARG A 68 1.264 9.004 -5.320 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.314 11.874 -6.304 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.349 10.662 -7.123 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -1.109 10.392 -5.338 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.126 10.711 -4.137 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.646 12.462 -4.215 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.034 13.099 -4.477 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.066 12.588 -7.050 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -2.027 14.473 -4.212 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.745 15.780 -5.160 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -1.928 14.320 -8.293 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -2.688 15.693 -7.481 1.00 10.00 H new ATOM 1027 N GLU A 69 3.667 9.918 -7.364 1.00 10.00 N ATOM 1028 CA GLU A 69 4.480 9.437 -8.467 1.00 10.00 C ATOM 1029 C GLU A 69 5.229 8.187 -8.015 1.00 10.00 C ATOM 1030 O GLU A 69 5.155 7.133 -8.642 1.00 10.00 O ATOM 1031 CB GLU A 69 5.382 10.582 -8.932 1.00 10.00 C ATOM 1032 CG GLU A 69 4.627 11.475 -9.929 1.00 10.00 C ATOM 1033 CD GLU A 69 4.407 10.788 -11.276 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.377 10.762 -12.062 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.279 10.288 -11.494 1.00 10.00 O ATOM 0 H GLU A 69 4.011 10.778 -6.936 1.00 10.00 H new ATOM 0 HA GLU A 69 3.883 9.139 -9.329 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.705 11.173 -8.075 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.281 10.181 -9.399 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.662 11.754 -9.505 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.187 12.398 -10.082 1.00 10.00 H new ATOM 1042 N LEU A 70 5.889 8.295 -6.866 1.00 10.00 N ATOM 1043 CA LEU A 70 6.606 7.232 -6.195 1.00 10.00 C ATOM 1044 C LEU A 70 5.732 5.976 -6.128 1.00 10.00 C ATOM 1045 O LEU A 70 6.146 4.913 -6.579 1.00 10.00 O ATOM 1046 CB LEU A 70 7.101 7.774 -4.843 1.00 10.00 C ATOM 1047 CG LEU A 70 8.019 6.908 -3.972 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.588 5.716 -4.710 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.126 7.744 -3.321 1.00 10.00 C ATOM 0 H LEU A 70 5.936 9.177 -6.356 1.00 10.00 H new ATOM 0 HA LEU A 70 7.493 6.914 -6.742 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.624 8.710 -5.038 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.221 8.019 -4.248 1.00 10.00 H new ATOM 0 HG LEU A 70 7.391 6.503 -3.179 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.229 5.144 -4.039 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.773 5.083 -5.061 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.173 6.061 -5.563 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.758 7.099 -2.711 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.730 8.215 -4.097 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.679 8.513 -2.692 1.00 10.00 H new ATOM 1061 N SER A 71 4.502 6.093 -5.624 1.00 10.00 N ATOM 1062 CA SER A 71 3.520 5.008 -5.648 1.00 10.00 C ATOM 1063 C SER A 71 3.580 4.218 -6.961 1.00 10.00 C ATOM 1064 O SER A 71 3.741 3.003 -6.917 1.00 10.00 O ATOM 1065 CB SER A 71 2.090 5.477 -5.326 1.00 10.00 C ATOM 1066 OG SER A 71 1.345 5.897 -6.454 1.00 10.00 O ATOM 0 H SER A 71 4.158 6.947 -5.186 1.00 10.00 H new ATOM 0 HA SER A 71 3.800 4.330 -4.842 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.556 4.664 -4.835 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.142 6.300 -4.613 1.00 10.00 H new ATOM 0 HG SER A 71 1.677 6.767 -6.760 1.00 10.00 H new ATOM 1072 N LYS A 72 3.512 4.877 -8.127 1.00 10.00 N ATOM 1073 CA LYS A 72 3.563 4.180 -9.406 1.00 10.00 C ATOM 1074 C LYS A 72 4.831 3.325 -9.551 1.00 10.00 C ATOM 1075 O LYS A 72 4.773 2.234 -10.109 1.00 10.00 O ATOM 1076 CB LYS A 72 3.414 5.138 -10.597 1.00 10.00 C ATOM 1077 CG LYS A 72 1.964 5.591 -10.817 1.00 10.00 C ATOM 1078 CD LYS A 72 1.835 6.213 -12.219 1.00 10.00 C ATOM 1079 CE LYS A 72 0.395 6.141 -12.747 1.00 10.00 C ATOM 1080 NZ LYS A 72 0.320 6.537 -14.169 1.00 10.00 N ATOM 0 H LYS A 72 3.422 5.890 -8.203 1.00 10.00 H new ATOM 0 HA LYS A 72 2.706 3.506 -9.415 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.043 6.013 -10.434 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.778 4.648 -11.500 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.287 4.743 -10.719 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.678 6.317 -10.056 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.158 7.254 -12.186 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.501 5.695 -12.909 1.00 10.00 H new ATOM 0 HE2 LYS A 72 0.014 5.127 -12.630 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.245 6.793 -12.152 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -0.666 6.477 -14.494 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.661 7.514 -14.276 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 0.912 5.899 -14.739 1.00 10.00 H new ATOM 1094 N THR A 73 5.972 3.768 -9.024 1.00 10.00 N ATOM 1095 CA THR A 73 7.193 2.968 -9.005 1.00 10.00 C ATOM 1096 C THR A 73 7.012 1.670 -8.207 1.00 10.00 C ATOM 1097 O THR A 73 7.671 0.675 -8.496 1.00 10.00 O ATOM 1098 CB THR A 73 8.367 3.823 -8.496 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.463 4.992 -9.286 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.705 3.080 -8.527 1.00 10.00 C ATOM 0 H THR A 73 6.074 4.690 -8.599 1.00 10.00 H new ATOM 0 HA THR A 73 7.426 2.655 -10.023 1.00 10.00 H new ATOM 0 HB THR A 73 8.162 4.069 -7.454 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.208 5.543 -8.966 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.494 3.735 -8.156 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.643 2.193 -7.896 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.932 2.782 -9.551 1.00 10.00 H new ATOM 1108 N PHE A 74 6.098 1.669 -7.235 1.00 10.00 N ATOM 1109 CA PHE A 74 5.707 0.493 -6.462 1.00 10.00 C ATOM 1110 C PHE A 74 4.434 -0.162 -7.000 1.00 10.00 C ATOM 1111 O PHE A 74 3.891 -1.055 -6.343 1.00 10.00 O ATOM 1112 CB PHE A 74 5.512 0.879 -4.988 1.00 10.00 C ATOM 1113 CG PHE A 74 6.805 1.134 -4.251 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.708 0.069 -4.078 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.087 2.395 -3.697 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.923 0.279 -3.412 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.286 2.592 -2.992 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.217 1.545 -2.886 1.00 10.00 C ATOM 0 H PHE A 74 5.596 2.512 -6.957 1.00 10.00 H new ATOM 0 HA PHE A 74 6.511 -0.237 -6.553 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.891 1.773 -4.935 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.967 0.082 -4.482 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.464 -0.912 -4.459 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.386 3.208 -3.813 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.630 -0.531 -3.304 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.492 3.547 -2.532 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.164 1.716 -2.397 1.00 10.00 H new ATOM 1128 N ILE A 75 3.927 0.266 -8.160 1.00 10.00 N ATOM 1129 CA ILE A 75 2.750 -0.369 -8.731 1.00 10.00 C ATOM 1130 C ILE A 75 3.081 -1.825 -9.059 1.00 10.00 C ATOM 1131 O ILE A 75 4.128 -2.105 -9.640 1.00 10.00 O ATOM 1132 CB ILE A 75 2.238 0.413 -9.949 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.711 0.339 -9.986 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.878 -0.035 -11.269 1.00 10.00 C ATOM 1135 CD1 ILE A 75 0.150 1.126 -11.161 1.00 10.00 C ATOM 0 H ILE A 75 4.309 1.036 -8.709 1.00 10.00 H new ATOM 0 HA ILE A 75 1.935 -0.361 -8.007 1.00 10.00 H new ATOM 0 HB ILE A 75 2.542 1.454 -9.837 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.396 -0.702 -10.059 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.303 0.731 -9.054 1.00 10.00 H new ATOM 0 HG21 ILE A 75 2.473 0.557 -12.089 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.957 0.108 -11.217 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.659 -1.089 -11.440 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -0.938 1.055 -11.161 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.445 2.172 -11.073 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.540 0.716 -12.093 1.00 10.00 H new ATOM 1147 N ILE A 76 2.194 -2.751 -8.701 1.00 10.00 N ATOM 1148 CA ILE A 76 2.320 -4.150 -9.095 1.00 10.00 C ATOM 1149 C ILE A 76 1.152 -4.590 -9.980 1.00 10.00 C ATOM 1150 O ILE A 76 1.186 -5.681 -10.551 1.00 10.00 O ATOM 1151 CB ILE A 76 2.464 -5.017 -7.842 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.366 -4.676 -6.825 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.864 -4.807 -7.242 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.178 -5.807 -5.826 1.00 10.00 C ATOM 0 H ILE A 76 1.371 -2.553 -8.132 1.00 10.00 H new ATOM 0 HA ILE A 76 3.217 -4.275 -9.701 1.00 10.00 H new ATOM 0 HB ILE A 76 2.349 -6.068 -8.108 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.627 -3.759 -6.297 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.428 -4.487 -7.347 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.973 -5.422 -6.349 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.620 -5.092 -7.974 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.993 -3.757 -6.978 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.395 -5.540 -5.117 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.894 -6.716 -6.355 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.111 -5.977 -5.289 1.00 10.00 H new ATOM 1166 N GLY A 77 0.117 -3.753 -10.087 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.050 -3.964 -10.913 1.00 10.00 C ATOM 1168 C GLY A 77 -2.211 -3.216 -10.289 1.00 10.00 C ATOM 1169 O GLY A 77 -2.029 -2.351 -9.428 1.00 10.00 O ATOM 0 H GLY A 77 0.079 -2.873 -9.572 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.868 -3.607 -11.927 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.278 -5.028 -10.986 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.406 -3.598 -10.714 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.649 -2.985 -10.328 1.00 10.00 C ATOM 1175 C GLU A 78 -5.570 -4.029 -9.700 1.00 10.00 C ATOM 1176 O GLU A 78 -5.328 -5.237 -9.735 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.275 -2.296 -11.553 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.915 -0.807 -11.689 1.00 10.00 C ATOM 1179 CD GLU A 78 -3.776 -0.506 -12.656 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -2.972 -1.425 -12.925 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -3.733 0.663 -13.099 1.00 10.00 O ATOM 0 H GLU A 78 -3.531 -4.375 -11.363 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.480 -2.219 -9.572 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.955 -2.820 -12.454 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.359 -2.393 -11.496 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.801 -0.263 -12.014 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.648 -0.422 -10.705 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.635 -3.529 -9.091 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.662 -4.328 -8.467 1.00 10.00 C ATOM 1190 C LEU A 79 -8.458 -5.056 -9.550 1.00 10.00 C ATOM 1191 O LEU A 79 -8.799 -4.467 -10.578 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.551 -3.361 -7.689 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.746 -4.033 -7.013 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.301 -4.904 -5.834 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.702 -2.936 -6.552 1.00 10.00 C ATOM 0 H LEU A 79 -6.807 -2.526 -9.019 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.247 -5.082 -7.798 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.950 -2.860 -6.930 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.915 -2.590 -8.368 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.247 -4.695 -7.720 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.174 -5.368 -5.375 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.623 -5.680 -6.190 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.789 -4.285 -5.097 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.566 -3.388 -6.065 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.190 -2.280 -5.848 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.033 -2.356 -7.414 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.792 -6.324 -9.316 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.624 -7.103 -10.223 1.00 10.00 C ATOM 1209 C HIS A 80 -10.955 -6.385 -10.469 1.00 10.00 C ATOM 1210 O HIS A 80 -11.548 -5.840 -9.539 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.822 -8.512 -9.651 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.057 -9.577 -10.687 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.272 -10.089 -11.069 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.090 -10.254 -11.383 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -11.046 -11.034 -11.993 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.730 -11.168 -12.225 1.00 10.00 N ATOM 0 H HIS A 80 -8.491 -6.839 -8.489 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.130 -7.201 -11.190 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.943 -8.780 -9.065 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.669 -8.497 -8.965 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -8.023 -10.107 -11.296 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.817 -11.609 -12.484 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.286 -11.808 -12.884 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.451 -6.358 -11.713 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.733 -5.744 -12.015 1.00 10.00 C ATOM 1226 C PRO A 81 -13.907 -6.479 -11.353 1.00 10.00 C ATOM 1227 O PRO A 81 -14.999 -5.927 -11.310 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.831 -5.741 -13.542 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.940 -6.912 -13.957 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.829 -6.886 -12.916 1.00 10.00 C ATOM 0 HA PRO A 81 -12.793 -4.733 -11.612 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.858 -5.879 -13.879 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.480 -4.800 -13.965 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.483 -7.857 -13.943 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.550 -6.784 -14.967 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.425 -7.884 -12.746 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.000 -6.257 -13.240 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.693 -7.694 -10.829 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.737 -8.452 -10.138 1.00 10.00 C ATOM 1240 C ASP A 82 -15.110 -7.793 -8.804 1.00 10.00 C ATOM 1241 O ASP A 82 -16.268 -7.800 -8.399 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.260 -9.892 -9.920 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.340 -10.754 -9.284 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.305 -11.070 -10.011 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.141 -11.125 -8.109 1.00 10.00 O ATOM 0 H ASP A 82 -12.794 -8.174 -10.874 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.634 -8.461 -10.757 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.964 -10.326 -10.875 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.375 -9.890 -9.284 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.108 -7.218 -8.130 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.289 -6.510 -6.865 1.00 10.00 C ATOM 1252 C ASP A 83 -15.159 -5.257 -7.053 1.00 10.00 C ATOM 1253 O ASP A 83 -15.996 -4.948 -6.207 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.903 -6.171 -6.301 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.957 -5.374 -5.004 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.374 -4.198 -5.051 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.501 -5.940 -3.992 1.00 10.00 O ATOM 0 H ASP A 83 -13.141 -7.233 -8.453 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.818 -7.143 -6.153 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.353 -7.096 -6.128 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.345 -5.603 -7.045 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.921 -4.545 -8.160 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.473 -3.223 -8.438 1.00 10.00 C ATOM 1264 C ARG A 84 -17.004 -3.174 -8.398 1.00 10.00 C ATOM 1265 O ARG A 84 -17.519 -2.160 -7.876 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.982 -2.728 -9.812 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.213 -1.411 -9.708 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.829 -1.625 -9.080 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.900 -2.371 -9.949 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.230 -1.826 -10.978 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.516 -0.578 -11.365 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.277 -2.510 -11.617 1.00 10.00 N ATOM 0 H ARG A 84 -14.319 -4.888 -8.909 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.116 -2.571 -7.641 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.342 -3.486 -10.262 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.836 -2.597 -10.476 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.101 -0.973 -10.700 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.782 -0.701 -9.108 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.392 -0.655 -8.842 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.945 -2.162 -8.139 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.757 -3.363 -9.757 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.239 -0.047 -10.880 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.011 -0.158 -12.145 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.049 -3.460 -11.325 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.778 -2.082 -12.396 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.938 7.128 3.122 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.207 9.928 4.768 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.091 7.688 0.457 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.395 4.551 1.375 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.888 6.466 5.891 1.00 10.00 C HETATM 1292 NA HEM A 201 4.413 8.522 2.709 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.738 9.582 3.516 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.755 10.343 2.827 1.00 10.00 C HETATM 1295 C3A HEM A 201 6.023 9.707 1.635 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.159 8.553 1.557 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.992 10.186 0.576 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.317 11.679 3.254 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.379 12.834 2.887 1.00 10.00 C HETATM 1300 CGA HEM A 201 6.107 14.171 2.873 1.00 10.00 C HETATM 1301 O1A HEM A 201 6.973 14.357 3.755 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.798 14.970 1.962 1.00 10.00 O HETATM 1303 NB HEM A 201 3.206 6.270 1.278 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.149 6.663 0.349 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.993 5.823 -0.817 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.919 5.009 -0.557 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.444 5.248 0.778 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.846 5.831 -2.063 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.323 4.003 -1.512 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.338 4.334 -2.359 1.00 10.00 C HETATM 1311 NC HEM A 201 1.438 5.738 3.562 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.965 4.792 2.679 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.105 4.075 3.337 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.201 4.604 4.596 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.755 5.670 4.749 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.978 2.983 2.773 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.272 4.231 5.594 1.00 10.00 C HETATM 1318 CBC HEM A 201 -2.124 5.177 6.047 1.00 10.00 C HETATM 1319 ND HEM A 201 2.602 8.042 5.005 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.747 7.570 5.968 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.884 8.434 7.120 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.792 9.417 6.797 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.244 9.168 5.444 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.195 8.305 8.459 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.331 10.443 7.774 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.463 11.684 7.955 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.740 12.738 6.890 1.00 10.00 C HETATM 1328 O1D HEM A 201 2.593 12.400 5.696 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.110 13.859 7.295 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.094 11.269 0.640 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.616 9.915 -0.411 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.964 9.720 0.735 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.239 6.834 -2.228 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.242 5.532 -2.920 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.674 5.132 -1.942 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.285 2.312 3.575 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.420 2.422 2.024 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.861 3.425 2.312 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.222 7.834 8.323 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.061 9.294 8.896 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 1.805 7.694 9.124 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 0.928 3.586 -3.037 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 0.947 5.352 -2.370 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.899 4.913 6.767 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -2.037 6.204 5.692 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.557 12.875 3.601 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.941 12.649 1.906 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 7.287 11.834 2.781 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.485 11.675 4.331 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 2.643 12.111 8.942 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 1.412 11.399 7.917 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.320 10.756 7.439 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.460 9.964 8.745 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.562 10.833 5.238 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.801 7.820 -0.346 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.891 3.788 0.800 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.297 6.216 6.760 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.703 2.981 -1.513 1.00 10.00 H new HETATM 0 HAC HEM A 201 -1.357 3.203 5.947 1.00 10.00 H new