USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=16 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 71 SER OG : rot 81:sc= 0.301 USER MOD Set 1.2: A 201 HEM CMB :methyl 150:sc= -1.11 (180deg=-0.816) USER MOD Set 2.1: A 21 THR OG1 : rot 72:sc= 1.04 USER MOD Set 2.2: A 33 THR OG1 : rot -130:sc= 1.08 USER MOD Set 3.1: A 16 ASN : amide:sc= 0.567 K(o=1.3,f=-7.9!) USER MOD Set 3.2: A 17 ASN : amide:sc= 0.703 X(o=1.3,f=0.83) 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 161:sc= 0.0274 USER MOD Single : A 8 THR OG1 : rot -112:sc= 1.97 USER MOD Single : A 13 GLN : amide:sc= 1.13 K(o=1.1,f=-0.053) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=-0.21) USER MOD Single : A 18 SER OG : rot 29:sc= 1.09 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -159:sc= 1.16 USER MOD Single : A 26 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.38) 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 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.907 K(o=-0.91,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot 23:sc= 1.48 USER MOD Single : A 57 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.13) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0746 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= -1.11 K(o=-1.1,f=-3.9) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.487 (180deg=-0.487) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -2.24 (180deg=-3.22) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.222 (180deg=-0.444) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 2.738 -10.777 -17.259 1.00 10.00 N ATOM 2 CA ALA A 3 1.688 -9.858 -17.730 1.00 10.00 C ATOM 3 C ALA A 3 1.523 -8.789 -16.658 1.00 10.00 C ATOM 4 O ALA A 3 2.005 -9.027 -15.552 1.00 10.00 O ATOM 5 CB ALA A 3 1.981 -9.317 -19.132 1.00 10.00 C ATOM 0 HA ALA A 3 0.736 -10.374 -17.859 1.00 10.00 H new ATOM 0 HB1 ALA A 3 1.180 -8.644 -19.437 1.00 10.00 H new ATOM 0 HB2 ALA A 3 2.926 -8.775 -19.122 1.00 10.00 H new ATOM 0 HB3 ALA A 3 2.046 -10.147 -19.836 1.00 10.00 H new ATOM 13 N VAL A 4 0.788 -7.705 -16.925 1.00 10.00 N ATOM 14 CA VAL A 4 -0.003 -7.099 -15.862 1.00 10.00 C ATOM 15 C VAL A 4 -0.951 -8.198 -15.376 1.00 10.00 C ATOM 16 O VAL A 4 -1.404 -9.017 -16.176 1.00 10.00 O ATOM 17 CB VAL A 4 -0.778 -5.882 -16.402 1.00 10.00 C ATOM 18 CG1 VAL A 4 -1.868 -5.389 -15.438 1.00 10.00 C ATOM 19 CG2 VAL A 4 0.185 -4.725 -16.696 1.00 10.00 C ATOM 0 H VAL A 4 0.727 -7.247 -17.834 1.00 10.00 H new ATOM 0 HA VAL A 4 0.618 -6.731 -15.045 1.00 10.00 H new ATOM 0 HB VAL A 4 -1.268 -6.214 -17.317 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -2.378 -4.530 -15.874 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -2.588 -6.189 -15.263 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -1.412 -5.098 -14.492 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -0.377 -3.872 -17.077 1.00 10.00 H new ATOM 0 HG22 VAL A 4 0.701 -4.440 -15.779 1.00 10.00 H new ATOM 0 HG23 VAL A 4 0.916 -5.040 -17.441 1.00 10.00 H new ATOM 29 N LYS A 5 -1.220 -8.240 -14.075 1.00 10.00 N ATOM 30 CA LYS A 5 -2.148 -9.182 -13.484 1.00 10.00 C ATOM 31 C LYS A 5 -2.814 -8.455 -12.322 1.00 10.00 C ATOM 32 O LYS A 5 -2.127 -7.912 -11.461 1.00 10.00 O ATOM 33 CB LYS A 5 -1.404 -10.456 -13.045 1.00 10.00 C ATOM 34 CG LYS A 5 -2.338 -11.396 -12.272 1.00 10.00 C ATOM 35 CD LYS A 5 -1.666 -12.708 -11.841 1.00 10.00 C ATOM 36 CE LYS A 5 -2.140 -13.076 -10.421 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.071 -14.524 -10.139 1.00 10.00 N ATOM 0 H LYS A 5 -0.791 -7.610 -13.397 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.908 -9.514 -14.192 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.007 -10.970 -13.920 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.553 -10.188 -12.420 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.710 -10.879 -11.387 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.203 -11.627 -12.893 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.917 -13.506 -12.540 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.582 -12.598 -11.859 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.531 -12.542 -9.692 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -3.167 -12.736 -10.289 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.403 -14.705 -9.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.674 -15.038 -10.813 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.088 -14.850 -10.235 1.00 10.00 H new ATOM 51 N TYR A 6 -4.145 -8.432 -12.317 1.00 10.00 N ATOM 52 CA TYR A 6 -4.909 -7.860 -11.224 1.00 10.00 C ATOM 53 C TYR A 6 -4.895 -8.820 -10.037 1.00 10.00 C ATOM 54 O TYR A 6 -4.678 -10.019 -10.221 1.00 10.00 O ATOM 55 CB TYR A 6 -6.339 -7.567 -11.681 1.00 10.00 C ATOM 56 CG TYR A 6 -6.457 -6.915 -13.042 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.335 -5.522 -13.159 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.625 -7.701 -14.196 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.266 -4.924 -14.428 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.566 -7.104 -15.467 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.359 -5.718 -15.583 1.00 10.00 C ATOM 62 OH TYR A 6 -6.235 -5.145 -16.812 1.00 10.00 O ATOM 0 H TYR A 6 -4.718 -8.810 -13.071 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.457 -6.918 -10.913 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.899 -8.502 -11.694 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.815 -6.921 -10.943 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.294 -4.908 -12.271 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.799 -8.763 -14.106 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.142 -3.855 -14.516 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.680 -7.709 -16.354 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.323 -5.833 -17.504 1.00 10.00 H new ATOM 72 N TYR A 7 -5.130 -8.304 -8.830 1.00 10.00 N ATOM 73 CA TYR A 7 -5.138 -9.100 -7.611 1.00 10.00 C ATOM 74 C TYR A 7 -6.478 -8.901 -6.904 1.00 10.00 C ATOM 75 O TYR A 7 -7.002 -7.785 -6.877 1.00 10.00 O ATOM 76 CB TYR A 7 -3.946 -8.706 -6.734 1.00 10.00 C ATOM 77 CG TYR A 7 -2.619 -8.651 -7.470 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.989 -9.836 -7.893 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.039 -7.407 -7.781 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.774 -9.776 -8.601 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.826 -7.348 -8.482 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.198 -8.529 -8.902 1.00 10.00 C ATOM 83 OH TYR A 7 0.983 -8.463 -9.577 1.00 10.00 O ATOM 0 H TYR A 7 -5.321 -7.314 -8.674 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.032 -10.161 -7.836 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.143 -7.730 -6.291 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.863 -9.418 -5.913 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.439 -10.793 -7.674 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.530 -6.494 -7.478 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.285 -10.687 -8.913 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.375 -6.391 -8.699 1.00 10.00 H new ATOM 0 HH TYR A 7 1.090 -7.568 -9.962 1.00 10.00 H new ATOM 93 N THR A 8 -7.063 -9.994 -6.408 1.00 10.00 N ATOM 94 CA THR A 8 -8.351 -9.987 -5.726 1.00 10.00 C ATOM 95 C THR A 8 -8.164 -9.415 -4.324 1.00 10.00 C ATOM 96 O THR A 8 -7.070 -9.505 -3.766 1.00 10.00 O ATOM 97 CB THR A 8 -8.904 -11.422 -5.644 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.076 -12.203 -4.805 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.066 -12.084 -7.021 1.00 10.00 C ATOM 0 H THR A 8 -6.645 -10.922 -6.472 1.00 10.00 H new ATOM 0 HA THR A 8 -9.061 -9.371 -6.279 1.00 10.00 H new ATOM 0 HB THR A 8 -9.906 -11.361 -5.219 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.609 -12.877 -5.342 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.459 -13.093 -6.896 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.757 -11.498 -7.627 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.097 -12.131 -7.518 1.00 10.00 H new ATOM 107 N LEU A 9 -9.229 -8.881 -3.722 1.00 10.00 N ATOM 108 CA LEU A 9 -9.220 -8.432 -2.344 1.00 10.00 C ATOM 109 C LEU A 9 -8.662 -9.534 -1.449 1.00 10.00 C ATOM 110 O LEU A 9 -7.894 -9.249 -0.540 1.00 10.00 O ATOM 111 CB LEU A 9 -10.643 -8.025 -1.920 1.00 10.00 C ATOM 112 CG LEU A 9 -10.693 -6.612 -1.311 1.00 10.00 C ATOM 113 CD1 LEU A 9 -12.140 -6.131 -1.155 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.995 -6.567 0.054 1.00 10.00 C ATOM 0 H LEU A 9 -10.126 -8.751 -4.189 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.577 -7.558 -2.243 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.303 -8.068 -2.786 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.022 -8.744 -1.194 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.167 -5.949 -1.998 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -12.146 -5.130 -0.723 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.623 -6.107 -2.132 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.681 -6.813 -0.499 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -10.048 -5.555 0.457 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.489 -7.256 0.738 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.951 -6.857 -0.062 1.00 10.00 H new ATOM 126 N GLU A 10 -9.019 -10.790 -1.736 1.00 10.00 N ATOM 127 CA GLU A 10 -8.513 -11.959 -1.038 1.00 10.00 C ATOM 128 C GLU A 10 -6.992 -12.059 -1.171 1.00 10.00 C ATOM 129 O GLU A 10 -6.269 -11.991 -0.177 1.00 10.00 O ATOM 130 CB GLU A 10 -9.210 -13.210 -1.581 1.00 10.00 C ATOM 131 CG GLU A 10 -9.023 -14.416 -0.648 1.00 10.00 C ATOM 132 CD GLU A 10 -9.774 -14.261 0.668 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.021 -14.267 0.611 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.080 -14.147 1.701 1.00 10.00 O ATOM 0 H GLU A 10 -9.682 -11.019 -2.477 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.733 -11.870 0.026 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.274 -13.008 -1.706 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.813 -13.448 -2.568 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.366 -15.318 -1.154 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.961 -14.550 -0.442 1.00 10.00 H new ATOM 141 N GLU A 11 -6.493 -12.215 -2.402 1.00 10.00 N ATOM 142 CA GLU A 11 -5.063 -12.313 -2.656 1.00 10.00 C ATOM 143 C GLU A 11 -4.333 -11.175 -1.941 1.00 10.00 C ATOM 144 O GLU A 11 -3.354 -11.401 -1.235 1.00 10.00 O ATOM 145 CB GLU A 11 -4.771 -12.265 -4.165 1.00 10.00 C ATOM 146 CG GLU A 11 -4.440 -13.639 -4.764 1.00 10.00 C ATOM 147 CD GLU A 11 -5.664 -14.529 -4.894 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.553 -14.134 -5.681 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.675 -15.584 -4.224 1.00 10.00 O ATOM 0 H GLU A 11 -7.070 -12.276 -3.241 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.706 -13.268 -2.271 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.636 -11.850 -4.682 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.936 -11.587 -4.345 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.988 -13.504 -5.746 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.699 -14.136 -4.138 1.00 10.00 H new ATOM 156 N ILE A 12 -4.820 -9.948 -2.115 1.00 10.00 N ATOM 157 CA ILE A 12 -4.208 -8.782 -1.508 1.00 10.00 C ATOM 158 C ILE A 12 -4.251 -8.908 0.021 1.00 10.00 C ATOM 159 O ILE A 12 -3.222 -8.728 0.668 1.00 10.00 O ATOM 160 CB ILE A 12 -4.878 -7.493 -2.023 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.762 -7.366 -3.554 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.214 -6.273 -1.368 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.838 -6.440 -4.128 1.00 10.00 C ATOM 0 H ILE A 12 -5.645 -9.741 -2.678 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.159 -8.723 -1.797 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.935 -7.539 -1.762 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.775 -6.982 -3.814 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.850 -8.353 -4.009 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.688 -5.362 -1.732 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.328 -6.334 -0.286 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.154 -6.257 -1.620 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.723 -6.376 -5.210 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.825 -6.838 -3.891 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.733 -5.446 -3.692 1.00 10.00 H new ATOM 175 N GLN A 13 -5.409 -9.243 0.604 1.00 10.00 N ATOM 176 CA GLN A 13 -5.588 -9.468 2.031 1.00 10.00 C ATOM 177 C GLN A 13 -4.521 -10.414 2.573 1.00 10.00 C ATOM 178 O GLN A 13 -3.959 -10.149 3.633 1.00 10.00 O ATOM 179 CB GLN A 13 -7.001 -9.994 2.330 1.00 10.00 C ATOM 180 CG GLN A 13 -8.067 -8.897 2.499 1.00 10.00 C ATOM 181 CD GLN A 13 -8.600 -8.820 3.931 1.00 10.00 C ATOM 182 OE1 GLN A 13 -9.293 -9.721 4.390 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.304 -7.750 4.659 1.00 10.00 N ATOM 0 H GLN A 13 -6.270 -9.367 0.072 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.473 -8.511 2.541 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.306 -10.658 1.522 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.967 -10.593 3.240 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.641 -7.933 2.220 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.894 -9.089 1.816 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -7.726 -7.008 4.264 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.654 -7.670 5.614 1.00 10.00 H new ATOM 192 N LYS A 14 -4.213 -11.499 1.858 1.00 10.00 N ATOM 193 CA LYS A 14 -3.183 -12.437 2.294 1.00 10.00 C ATOM 194 C LYS A 14 -1.806 -11.760 2.452 1.00 10.00 C ATOM 195 O LYS A 14 -0.989 -12.211 3.254 1.00 10.00 O ATOM 196 CB LYS A 14 -3.143 -13.662 1.365 1.00 10.00 C ATOM 197 CG LYS A 14 -4.484 -14.415 1.381 1.00 10.00 C ATOM 198 CD LYS A 14 -4.507 -15.649 0.467 1.00 10.00 C ATOM 199 CE LYS A 14 -3.853 -16.866 1.138 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.110 -18.108 0.381 1.00 10.00 N ATOM 0 H LYS A 14 -4.663 -11.747 0.977 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.448 -12.792 3.290 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.914 -13.343 0.348 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.342 -14.333 1.677 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.705 -14.725 2.402 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -5.278 -13.733 1.077 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -5.538 -15.888 0.205 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.986 -15.423 -0.463 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -2.778 -16.704 1.218 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -4.236 -16.972 2.153 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -3.654 -18.909 0.863 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -5.135 -18.275 0.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -3.722 -18.016 -0.580 1.00 10.00 H new ATOM 214 N HIS A 15 -1.542 -10.672 1.722 1.00 10.00 N ATOM 215 CA HIS A 15 -0.298 -9.911 1.780 1.00 10.00 C ATOM 216 C HIS A 15 -0.466 -8.687 2.691 1.00 10.00 C ATOM 217 O HIS A 15 -0.425 -7.543 2.238 1.00 10.00 O ATOM 218 CB HIS A 15 0.131 -9.524 0.359 1.00 10.00 C ATOM 219 CG HIS A 15 0.645 -10.675 -0.464 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.906 -10.777 -1.004 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.049 -11.799 -0.821 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.972 -11.951 -1.655 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.809 -12.616 -1.563 1.00 10.00 N ATOM 0 H HIS A 15 -2.211 -10.288 1.055 1.00 10.00 H new ATOM 0 HA HIS A 15 0.493 -10.524 2.212 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.718 -9.075 -0.155 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.907 -8.761 0.421 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.077 -12.016 -0.573 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.843 -12.311 -2.181 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.595 -13.533 -1.956 1.00 10.00 H new ATOM 231 N ASN A 16 -0.629 -8.942 3.992 1.00 10.00 N ATOM 232 CA ASN A 16 -0.733 -7.911 5.025 1.00 10.00 C ATOM 233 C ASN A 16 0.616 -7.683 5.720 1.00 10.00 C ATOM 234 O ASN A 16 1.204 -6.612 5.604 1.00 10.00 O ATOM 235 CB ASN A 16 -1.867 -8.231 6.015 1.00 10.00 C ATOM 236 CG ASN A 16 -1.789 -9.652 6.564 1.00 10.00 C ATOM 237 OD1 ASN A 16 -1.075 -9.922 7.522 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.452 -10.600 5.916 1.00 10.00 N ATOM 0 H ASN A 16 -0.693 -9.890 4.363 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.996 -6.969 4.544 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.830 -7.524 6.844 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.827 -8.090 5.518 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.372 -11.572 6.213 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.042 -10.357 5.120 1.00 10.00 H new ATOM 245 N ASN A 17 1.115 -8.673 6.464 1.00 10.00 N ATOM 246 CA ASN A 17 2.326 -8.563 7.265 1.00 10.00 C ATOM 247 C ASN A 17 2.889 -9.967 7.484 1.00 10.00 C ATOM 248 O ASN A 17 2.894 -10.496 8.591 1.00 10.00 O ATOM 249 CB ASN A 17 2.071 -7.780 8.571 1.00 10.00 C ATOM 250 CG ASN A 17 0.779 -8.149 9.302 1.00 10.00 C ATOM 251 OD1 ASN A 17 0.707 -9.164 9.984 1.00 10.00 O ATOM 252 ND2 ASN A 17 -0.244 -7.298 9.220 1.00 10.00 N ATOM 0 H ASN A 17 0.675 -9.591 6.524 1.00 10.00 H new ATOM 0 HA ASN A 17 3.080 -7.979 6.738 1.00 10.00 H new ATOM 0 HB2 ASN A 17 2.912 -7.943 9.245 1.00 10.00 H new ATOM 0 HB3 ASN A 17 2.049 -6.715 8.340 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -1.107 -7.487 9.731 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -0.164 -6.458 8.647 1.00 10.00 H new ATOM 259 N SER A 18 3.368 -10.581 6.397 1.00 10.00 N ATOM 260 CA SER A 18 3.999 -11.897 6.404 1.00 10.00 C ATOM 261 C SER A 18 4.830 -12.071 5.131 1.00 10.00 C ATOM 262 O SER A 18 6.055 -12.019 5.174 1.00 10.00 O ATOM 263 CB SER A 18 2.938 -13.001 6.539 1.00 10.00 C ATOM 264 OG SER A 18 2.516 -13.130 7.880 1.00 10.00 O ATOM 0 H SER A 18 3.325 -10.163 5.468 1.00 10.00 H new ATOM 0 HA SER A 18 4.664 -11.977 7.264 1.00 10.00 H new ATOM 0 HB2 SER A 18 2.083 -12.769 5.905 1.00 10.00 H new ATOM 0 HB3 SER A 18 3.347 -13.949 6.189 1.00 10.00 H new ATOM 0 HG SER A 18 2.595 -12.264 8.333 1.00 10.00 H new ATOM 270 N LYS A 19 4.161 -12.283 3.995 1.00 10.00 N ATOM 271 CA LYS A 19 4.822 -12.483 2.711 1.00 10.00 C ATOM 272 C LYS A 19 5.279 -11.146 2.137 1.00 10.00 C ATOM 273 O LYS A 19 6.410 -11.028 1.673 1.00 10.00 O ATOM 274 CB LYS A 19 3.869 -13.224 1.763 1.00 10.00 C ATOM 275 CG LYS A 19 3.833 -14.725 2.114 1.00 10.00 C ATOM 276 CD LYS A 19 4.529 -15.578 1.032 1.00 10.00 C ATOM 277 CE LYS A 19 5.394 -16.710 1.615 1.00 10.00 C ATOM 278 NZ LYS A 19 6.531 -17.041 0.728 1.00 10.00 N ATOM 0 H LYS A 19 3.143 -12.320 3.944 1.00 10.00 H new ATOM 0 HA LYS A 19 5.715 -13.095 2.842 1.00 10.00 H new ATOM 0 HB2 LYS A 19 2.867 -12.801 1.838 1.00 10.00 H new ATOM 0 HB3 LYS A 19 4.194 -13.092 0.731 1.00 10.00 H new ATOM 0 HG2 LYS A 19 4.321 -14.886 3.075 1.00 10.00 H new ATOM 0 HG3 LYS A 19 2.798 -15.049 2.224 1.00 10.00 H new ATOM 0 HD2 LYS A 19 3.773 -16.009 0.376 1.00 10.00 H new ATOM 0 HD3 LYS A 19 5.155 -14.932 0.416 1.00 10.00 H new ATOM 0 HE2 LYS A 19 5.770 -16.413 2.594 1.00 10.00 H new ATOM 0 HE3 LYS A 19 4.779 -17.597 1.765 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 7.091 -17.807 1.153 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 6.171 -17.348 -0.198 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 7.131 -16.201 0.605 1.00 10.00 H new ATOM 292 N SER A 20 4.399 -10.145 2.166 1.00 10.00 N ATOM 293 CA SER A 20 4.736 -8.780 1.815 1.00 10.00 C ATOM 294 C SER A 20 3.597 -7.885 2.301 1.00 10.00 C ATOM 295 O SER A 20 2.520 -8.390 2.620 1.00 10.00 O ATOM 296 CB SER A 20 4.948 -8.644 0.299 1.00 10.00 C ATOM 297 OG SER A 20 6.082 -7.854 0.018 1.00 10.00 O ATOM 0 H SER A 20 3.424 -10.268 2.438 1.00 10.00 H new ATOM 0 HA SER A 20 5.671 -8.482 2.289 1.00 10.00 H new ATOM 0 HB2 SER A 20 5.069 -9.632 -0.145 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.065 -8.195 -0.157 1.00 10.00 H new ATOM 0 HG SER A 20 6.015 -7.497 -0.892 1.00 10.00 H new ATOM 303 N THR A 21 3.849 -6.580 2.347 1.00 10.00 N ATOM 304 CA THR A 21 2.896 -5.534 2.676 1.00 10.00 C ATOM 305 C THR A 21 2.290 -5.006 1.377 1.00 10.00 C ATOM 306 O THR A 21 2.894 -4.154 0.718 1.00 10.00 O ATOM 307 CB THR A 21 3.633 -4.418 3.428 1.00 10.00 C ATOM 308 OG1 THR A 21 4.366 -4.971 4.499 1.00 10.00 O ATOM 309 CG2 THR A 21 2.674 -3.367 3.979 1.00 10.00 C ATOM 0 H THR A 21 4.776 -6.207 2.144 1.00 10.00 H new ATOM 0 HA THR A 21 2.096 -5.916 3.311 1.00 10.00 H new ATOM 0 HB THR A 21 4.299 -3.931 2.716 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.137 -5.463 4.148 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.240 -2.597 4.503 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.120 -2.914 3.157 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.976 -3.838 4.671 1.00 10.00 H new ATOM 317 N TRP A 22 1.122 -5.533 0.998 1.00 10.00 N ATOM 318 CA TRP A 22 0.320 -5.030 -0.105 1.00 10.00 C ATOM 319 C TRP A 22 -0.835 -4.228 0.477 1.00 10.00 C ATOM 320 O TRP A 22 -0.996 -4.174 1.691 1.00 10.00 O ATOM 321 CB TRP A 22 -0.209 -6.192 -0.945 1.00 10.00 C ATOM 322 CG TRP A 22 0.804 -6.991 -1.704 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.139 -6.949 -1.528 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.590 -7.903 -2.821 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.761 -7.761 -2.439 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.859 -8.364 -3.283 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.547 -8.355 -3.518 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.995 -9.215 -4.388 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.428 -9.238 -4.605 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.840 -9.647 -5.059 1.00 10.00 C ATOM 0 H TRP A 22 0.705 -6.339 1.464 1.00 10.00 H new ATOM 0 HA TRP A 22 0.926 -4.396 -0.753 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.751 -6.869 -0.285 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.932 -5.795 -1.658 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.645 -6.360 -0.777 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.770 -7.901 -2.485 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.526 -8.018 -3.212 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.973 -9.533 -4.718 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.317 -9.606 -5.096 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.924 -10.292 -5.921 1.00 10.00 H new ATOM 341 N LEU A 23 -1.630 -3.581 -0.374 1.00 10.00 N ATOM 342 CA LEU A 23 -2.751 -2.738 0.018 1.00 10.00 C ATOM 343 C LEU A 23 -3.376 -2.165 -1.242 1.00 10.00 C ATOM 344 O LEU A 23 -2.786 -2.304 -2.311 1.00 10.00 O ATOM 345 CB LEU A 23 -2.339 -1.623 0.992 1.00 10.00 C ATOM 346 CG LEU A 23 -0.941 -1.026 0.771 1.00 10.00 C ATOM 347 CD1 LEU A 23 -0.923 -0.082 -0.424 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.501 -0.287 2.037 1.00 10.00 C ATOM 0 H LEU A 23 -1.505 -3.633 -1.385 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.477 -3.346 0.557 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.072 -0.819 0.925 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.389 -2.016 2.007 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.246 -1.838 0.559 1.00 10.00 H new ATOM 0 HD11 LEU A 23 0.081 0.323 -0.553 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.212 -0.627 -1.323 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.625 0.735 -0.253 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.491 0.138 1.884 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.209 0.513 2.256 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.472 -0.985 2.874 1.00 10.00 H new ATOM 360 N ILE A 24 -4.549 -1.541 -1.115 1.00 10.00 N ATOM 361 CA ILE A 24 -5.286 -0.954 -2.229 1.00 10.00 C ATOM 362 C ILE A 24 -5.397 0.549 -1.995 1.00 10.00 C ATOM 363 O ILE A 24 -6.055 0.982 -1.042 1.00 10.00 O ATOM 364 CB ILE A 24 -6.664 -1.621 -2.369 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.492 -3.109 -2.699 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.506 -0.940 -3.455 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.701 -3.930 -2.228 1.00 10.00 C ATOM 0 H ILE A 24 -5.019 -1.429 -0.217 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.759 -1.124 -3.168 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.188 -1.516 -1.419 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.363 -3.232 -3.774 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.586 -3.486 -2.224 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.474 -1.435 -3.529 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.654 0.109 -3.197 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.989 -1.009 -4.412 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.547 -4.980 -2.477 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.813 -3.826 -1.149 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.602 -3.568 -2.723 1.00 10.00 H new ATOM 379 N LEU A 25 -4.727 1.323 -2.857 1.00 10.00 N ATOM 380 CA LEU A 25 -4.779 2.777 -2.903 1.00 10.00 C ATOM 381 C LEU A 25 -5.391 3.143 -4.253 1.00 10.00 C ATOM 382 O LEU A 25 -4.712 3.098 -5.274 1.00 10.00 O ATOM 383 CB LEU A 25 -3.367 3.374 -2.753 1.00 10.00 C ATOM 384 CG LEU A 25 -2.740 3.526 -1.361 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.477 2.710 -0.318 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.232 3.222 -1.388 1.00 10.00 C ATOM 0 H LEU A 25 -4.110 0.931 -3.568 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.376 3.179 -2.085 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.691 2.759 -3.347 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.384 4.363 -3.210 1.00 10.00 H new ATOM 0 HG LEU A 25 -2.846 4.570 -1.065 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.001 2.846 0.653 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.514 3.041 -0.263 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.447 1.656 -0.593 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.819 3.339 -0.386 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.073 2.199 -1.729 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.734 3.912 -2.069 1.00 10.00 H new ATOM 398 N HIS A 26 -6.682 3.478 -4.267 1.00 10.00 N ATOM 399 CA HIS A 26 -7.415 3.900 -5.459 1.00 10.00 C ATOM 400 C HIS A 26 -7.439 2.790 -6.508 1.00 10.00 C ATOM 401 O HIS A 26 -7.127 3.019 -7.676 1.00 10.00 O ATOM 402 CB HIS A 26 -6.852 5.201 -6.047 1.00 10.00 C ATOM 403 CG HIS A 26 -6.668 6.292 -5.033 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.622 7.191 -4.620 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.522 6.544 -4.334 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.051 7.978 -3.694 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.773 7.618 -3.481 1.00 10.00 N ATOM 0 H HIS A 26 -7.261 3.463 -3.427 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.441 4.102 -5.153 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.892 4.990 -6.519 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.522 5.555 -6.831 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.589 6.008 -4.426 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.551 8.791 -3.188 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.118 8.045 -2.826 1.00 10.00 H new ATOM 415 N TYR A 27 -7.798 1.580 -6.074 1.00 10.00 N ATOM 416 CA TYR A 27 -7.914 0.401 -6.924 1.00 10.00 C ATOM 417 C TYR A 27 -6.574 0.003 -7.551 1.00 10.00 C ATOM 418 O TYR A 27 -6.551 -0.755 -8.519 1.00 10.00 O ATOM 419 CB TYR A 27 -9.008 0.596 -7.987 1.00 10.00 C ATOM 420 CG TYR A 27 -10.344 1.125 -7.492 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.791 0.870 -6.180 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.151 1.878 -8.365 1.00 10.00 C ATOM 423 CE1 TYR A 27 -11.998 1.425 -5.726 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.374 2.407 -7.918 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.790 2.191 -6.593 1.00 10.00 C ATOM 426 OH TYR A 27 -13.952 2.739 -6.139 1.00 10.00 O ATOM 0 H TYR A 27 -8.021 1.392 -5.097 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.213 -0.431 -6.287 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.629 1.281 -8.746 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.181 -0.361 -8.479 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.204 0.246 -5.522 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.830 2.050 -9.382 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.317 1.262 -4.707 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.994 2.979 -8.592 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.382 3.241 -6.863 1.00 10.00 H new ATOM 436 N LYS A 28 -5.460 0.482 -6.989 1.00 10.00 N ATOM 437 CA LYS A 28 -4.118 0.160 -7.431 1.00 10.00 C ATOM 438 C LYS A 28 -3.406 -0.527 -6.272 1.00 10.00 C ATOM 439 O LYS A 28 -3.447 -0.032 -5.143 1.00 10.00 O ATOM 440 CB LYS A 28 -3.418 1.435 -7.920 1.00 10.00 C ATOM 441 CG LYS A 28 -4.095 1.891 -9.211 1.00 10.00 C ATOM 442 CD LYS A 28 -3.553 3.191 -9.809 1.00 10.00 C ATOM 443 CE LYS A 28 -4.094 3.246 -11.249 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.563 4.579 -11.658 1.00 10.00 N ATOM 0 H LYS A 28 -5.477 1.120 -6.194 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.115 -0.524 -8.280 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.480 2.216 -7.163 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.359 1.244 -8.094 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.995 1.099 -9.954 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.161 2.015 -9.019 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.885 4.055 -9.233 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.463 3.201 -9.800 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.311 2.921 -11.934 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.916 2.537 -11.345 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.912 4.539 -12.637 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.332 4.885 -11.028 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.777 5.257 -11.598 1.00 10.00 H new ATOM 458 N VAL A 29 -2.824 -1.699 -6.551 1.00 10.00 N ATOM 459 CA VAL A 29 -2.071 -2.479 -5.586 1.00 10.00 C ATOM 460 C VAL A 29 -0.591 -2.098 -5.649 1.00 10.00 C ATOM 461 O VAL A 29 -0.023 -1.939 -6.735 1.00 10.00 O ATOM 462 CB VAL A 29 -2.280 -3.985 -5.805 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.855 -4.776 -4.559 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.747 -4.299 -6.103 1.00 10.00 C ATOM 0 H VAL A 29 -2.869 -2.132 -7.473 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.440 -2.251 -4.586 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.667 -4.277 -6.657 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.010 -5.841 -4.733 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.800 -4.592 -4.353 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.452 -4.457 -3.705 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.866 -5.372 -6.254 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.365 -3.980 -5.264 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.057 -3.769 -7.004 1.00 10.00 H new ATOM 474 N TYR A 30 0.020 -1.960 -4.471 1.00 10.00 N ATOM 475 CA TYR A 30 1.394 -1.525 -4.286 1.00 10.00 C ATOM 476 C TYR A 30 2.097 -2.522 -3.366 1.00 10.00 C ATOM 477 O TYR A 30 1.778 -2.571 -2.181 1.00 10.00 O ATOM 478 CB TYR A 30 1.365 -0.118 -3.675 1.00 10.00 C ATOM 479 CG TYR A 30 0.728 0.915 -4.582 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.459 1.451 -5.653 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.643 1.203 -4.474 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.837 2.313 -6.574 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.248 2.093 -5.378 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.503 2.672 -6.409 1.00 10.00 C ATOM 485 OH TYR A 30 -1.083 3.562 -7.263 1.00 10.00 O ATOM 0 H TYR A 30 -0.453 -2.157 -3.589 1.00 10.00 H new ATOM 0 HA TYR A 30 1.939 -1.487 -5.229 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.819 -0.150 -2.732 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.384 0.191 -3.443 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.503 1.201 -5.771 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.232 0.740 -3.696 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.398 2.699 -7.412 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.296 2.331 -5.275 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.659 3.494 -8.144 1.00 10.00 H new ATOM 495 N ASP A 31 3.030 -3.319 -3.900 1.00 10.00 N ATOM 496 CA ASP A 31 3.873 -4.201 -3.099 1.00 10.00 C ATOM 497 C ASP A 31 5.026 -3.369 -2.563 1.00 10.00 C ATOM 498 O ASP A 31 5.901 -2.990 -3.339 1.00 10.00 O ATOM 499 CB ASP A 31 4.434 -5.345 -3.958 1.00 10.00 C ATOM 500 CG ASP A 31 5.459 -6.203 -3.219 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.127 -6.658 -2.101 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.533 -6.464 -3.794 1.00 10.00 O ATOM 0 H ASP A 31 3.218 -3.367 -4.901 1.00 10.00 H new ATOM 0 HA ASP A 31 3.288 -4.638 -2.290 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.612 -5.978 -4.291 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.896 -4.927 -4.852 1.00 10.00 H new ATOM 507 N LEU A 32 5.019 -3.046 -1.267 1.00 10.00 N ATOM 508 CA LEU A 32 6.121 -2.328 -0.666 1.00 10.00 C ATOM 509 C LEU A 32 6.948 -3.300 0.176 1.00 10.00 C ATOM 510 O LEU A 32 7.835 -3.963 -0.354 1.00 10.00 O ATOM 511 CB LEU A 32 5.632 -1.066 0.055 1.00 10.00 C ATOM 512 CG LEU A 32 4.753 -0.184 -0.854 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.301 -0.339 -0.397 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.237 1.265 -0.807 1.00 10.00 C ATOM 0 H LEU A 32 4.260 -3.274 -0.624 1.00 10.00 H new ATOM 0 HA LEU A 32 6.799 -1.940 -1.426 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.065 -1.352 0.941 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.491 -0.489 0.399 1.00 10.00 H new ATOM 0 HG LEU A 32 4.823 -0.495 -1.896 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.655 0.275 -1.024 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.002 -1.384 -0.482 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.210 -0.019 0.641 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.609 1.879 -1.453 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.177 1.636 0.216 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.270 1.315 -1.151 1.00 10.00 H new ATOM 526 N THR A 33 6.676 -3.394 1.481 1.00 10.00 N ATOM 527 CA THR A 33 7.359 -4.249 2.449 1.00 10.00 C ATOM 528 C THR A 33 8.814 -3.828 2.695 1.00 10.00 C ATOM 529 O THR A 33 9.190 -3.472 3.808 1.00 10.00 O ATOM 530 CB THR A 33 7.132 -5.741 2.143 1.00 10.00 C ATOM 531 OG1 THR A 33 6.428 -6.318 3.228 1.00 10.00 O ATOM 532 CG2 THR A 33 8.389 -6.571 1.893 1.00 10.00 C ATOM 0 H THR A 33 5.932 -2.844 1.911 1.00 10.00 H new ATOM 0 HA THR A 33 6.896 -4.097 3.424 1.00 10.00 H new ATOM 0 HB THR A 33 6.577 -5.762 1.205 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.884 -7.136 3.516 1.00 10.00 H new ATOM 0 HG21 THR A 33 8.108 -7.604 1.688 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.929 -6.165 1.037 1.00 10.00 H new ATOM 0 HG23 THR A 33 9.029 -6.537 2.775 1.00 10.00 H new ATOM 540 N LYS A 34 9.636 -3.790 1.651 1.00 10.00 N ATOM 541 CA LYS A 34 11.013 -3.341 1.735 1.00 10.00 C ATOM 542 C LYS A 34 11.066 -1.820 1.837 1.00 10.00 C ATOM 543 O LYS A 34 12.144 -1.266 2.002 1.00 10.00 O ATOM 544 CB LYS A 34 11.777 -3.874 0.519 1.00 10.00 C ATOM 545 CG LYS A 34 11.892 -5.403 0.622 1.00 10.00 C ATOM 546 CD LYS A 34 11.412 -6.106 -0.653 1.00 10.00 C ATOM 547 CE LYS A 34 11.395 -7.623 -0.413 1.00 10.00 C ATOM 548 NZ LYS A 34 11.289 -8.387 -1.673 1.00 10.00 N ATOM 0 H LYS A 34 9.356 -4.075 0.712 1.00 10.00 H new ATOM 0 HA LYS A 34 11.489 -3.730 2.635 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.260 -3.598 -0.400 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.769 -3.425 0.473 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.929 -5.676 0.817 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.305 -5.754 1.471 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.415 -5.757 -0.923 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.071 -5.864 -1.487 1.00 10.00 H new ATOM 0 HE2 LYS A 34 12.304 -7.916 0.112 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.556 -7.877 0.235 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 11.281 -9.405 -1.462 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 10.409 -8.128 -2.163 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.102 -8.166 -2.282 1.00 10.00 H new ATOM 562 N PHE A 35 9.906 -1.156 1.762 1.00 10.00 N ATOM 563 CA PHE A 35 9.787 0.274 1.949 1.00 10.00 C ATOM 564 C PHE A 35 9.118 0.601 3.285 1.00 10.00 C ATOM 565 O PHE A 35 8.776 1.749 3.503 1.00 10.00 O ATOM 566 CB PHE A 35 8.982 0.865 0.788 1.00 10.00 C ATOM 567 CG PHE A 35 9.300 2.312 0.444 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.608 2.671 0.068 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.289 3.293 0.461 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.908 4.002 -0.270 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.592 4.628 0.134 1.00 10.00 C ATOM 572 CZ PHE A 35 9.902 4.981 -0.231 1.00 10.00 C ATOM 0 H PHE A 35 9.016 -1.615 1.566 1.00 10.00 H new ATOM 0 HA PHE A 35 10.784 0.714 1.965 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.151 0.253 -0.098 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.921 0.791 1.029 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.384 1.921 0.039 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.278 3.020 0.726 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.913 4.272 -0.560 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.818 5.381 0.164 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.135 6.005 -0.482 1.00 10.00 H new ATOM 582 N LEU A 36 8.869 -0.367 4.172 1.00 10.00 N ATOM 583 CA LEU A 36 8.168 -0.083 5.426 1.00 10.00 C ATOM 584 C LEU A 36 8.902 0.949 6.284 1.00 10.00 C ATOM 585 O LEU A 36 8.359 2.008 6.583 1.00 10.00 O ATOM 586 CB LEU A 36 7.993 -1.372 6.223 1.00 10.00 C ATOM 587 CG LEU A 36 6.955 -2.292 5.590 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.043 -3.653 6.288 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.546 -1.709 5.682 1.00 10.00 C ATOM 0 H LEU A 36 9.139 -1.343 4.047 1.00 10.00 H new ATOM 0 HA LEU A 36 7.196 0.336 5.165 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.949 -1.892 6.287 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.692 -1.131 7.242 1.00 10.00 H new ATOM 0 HG LEU A 36 7.165 -2.403 4.526 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.310 -4.333 5.854 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.043 -4.066 6.156 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.839 -3.530 7.352 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.837 -2.396 5.219 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.280 -1.564 6.729 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.514 -0.751 5.163 1.00 10.00 H new ATOM 601 N GLU A 37 10.126 0.620 6.700 1.00 10.00 N ATOM 602 CA GLU A 37 10.960 1.523 7.481 1.00 10.00 C ATOM 603 C GLU A 37 11.344 2.757 6.655 1.00 10.00 C ATOM 604 O GLU A 37 11.446 3.857 7.191 1.00 10.00 O ATOM 605 CB GLU A 37 12.197 0.770 8.001 1.00 10.00 C ATOM 606 CG GLU A 37 11.968 0.260 9.432 1.00 10.00 C ATOM 607 CD GLU A 37 13.152 -0.551 9.947 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.295 -0.125 9.676 1.00 10.00 O ATOM 609 OE2 GLU A 37 12.891 -1.583 10.601 1.00 10.00 O ATOM 0 H GLU A 37 10.563 -0.280 6.503 1.00 10.00 H new ATOM 0 HA GLU A 37 10.396 1.880 8.343 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.420 -0.070 7.343 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.064 1.430 7.980 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.793 1.107 10.095 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.069 -0.355 9.458 1.00 10.00 H new ATOM 616 N GLU A 38 11.563 2.570 5.352 1.00 10.00 N ATOM 617 CA GLU A 38 11.996 3.626 4.448 1.00 10.00 C ATOM 618 C GLU A 38 10.900 4.685 4.294 1.00 10.00 C ATOM 619 O GLU A 38 11.176 5.882 4.279 1.00 10.00 O ATOM 620 CB GLU A 38 12.322 3.005 3.088 1.00 10.00 C ATOM 621 CG GLU A 38 13.378 1.885 3.164 1.00 10.00 C ATOM 622 CD GLU A 38 14.710 2.291 2.544 1.00 10.00 C ATOM 623 OE1 GLU A 38 15.131 3.439 2.799 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.278 1.448 1.816 1.00 10.00 O ATOM 0 H GLU A 38 11.442 1.667 4.893 1.00 10.00 H new ATOM 0 HA GLU A 38 12.882 4.113 4.856 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.408 2.603 2.652 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.679 3.786 2.416 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.536 1.610 4.207 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.000 0.999 2.654 1.00 10.00 H new ATOM 631 N HIS A 39 9.653 4.227 4.143 1.00 10.00 N ATOM 632 CA HIS A 39 8.467 5.049 3.979 1.00 10.00 C ATOM 633 C HIS A 39 8.415 6.072 5.114 1.00 10.00 C ATOM 634 O HIS A 39 8.252 5.675 6.270 1.00 10.00 O ATOM 635 CB HIS A 39 7.220 4.153 3.986 1.00 10.00 C ATOM 636 CG HIS A 39 5.919 4.885 4.162 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.215 4.955 5.336 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.250 5.622 3.224 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.140 5.725 5.107 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.108 6.157 3.833 1.00 10.00 N ATOM 0 H HIS A 39 9.442 3.229 4.132 1.00 10.00 H new ATOM 0 HA HIS A 39 8.500 5.580 3.028 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.184 3.597 3.049 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.320 3.421 4.787 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.462 4.506 6.218 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.549 5.766 2.196 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.395 5.967 5.851 1.00 10.00 H new ATOM 648 N PRO A 40 8.533 7.376 4.816 1.00 10.00 N ATOM 649 CA PRO A 40 8.597 8.409 5.833 1.00 10.00 C ATOM 650 C PRO A 40 7.204 8.654 6.424 1.00 10.00 C ATOM 651 O PRO A 40 6.591 9.695 6.201 1.00 10.00 O ATOM 652 CB PRO A 40 9.213 9.626 5.133 1.00 10.00 C ATOM 653 CG PRO A 40 8.831 9.443 3.665 1.00 10.00 C ATOM 654 CD PRO A 40 8.729 7.931 3.485 1.00 10.00 C ATOM 0 HA PRO A 40 9.211 8.140 6.693 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.818 10.559 5.535 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.295 9.656 5.263 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.886 9.935 3.436 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.582 9.872 3.002 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.898 7.672 2.829 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.633 7.532 3.026 1.00 10.00 H new ATOM 662 N GLY A 41 6.714 7.678 7.192 1.00 10.00 N ATOM 663 CA GLY A 41 5.463 7.740 7.920 1.00 10.00 C ATOM 664 C GLY A 41 5.505 6.757 9.083 1.00 10.00 C ATOM 665 O GLY A 41 6.203 7.002 10.062 1.00 10.00 O ATOM 0 H GLY A 41 7.203 6.793 7.323 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.295 8.751 8.290 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.632 7.501 7.257 1.00 10.00 H new ATOM 669 N GLY A 42 4.776 5.640 8.981 1.00 10.00 N ATOM 670 CA GLY A 42 4.738 4.626 10.023 1.00 10.00 C ATOM 671 C GLY A 42 4.743 3.234 9.404 1.00 10.00 C ATOM 672 O GLY A 42 3.826 2.880 8.662 1.00 10.00 O ATOM 0 H GLY A 42 4.198 5.420 8.170 1.00 10.00 H new ATOM 0 HA2 GLY A 42 5.597 4.741 10.684 1.00 10.00 H new ATOM 0 HA3 GLY A 42 3.845 4.756 10.635 1.00 10.00 H new ATOM 676 N GLU A 43 5.760 2.430 9.724 1.00 10.00 N ATOM 677 CA GLU A 43 5.805 1.038 9.311 1.00 10.00 C ATOM 678 C GLU A 43 4.555 0.321 9.828 1.00 10.00 C ATOM 679 O GLU A 43 3.886 -0.396 9.087 1.00 10.00 O ATOM 680 CB GLU A 43 7.130 0.409 9.768 1.00 10.00 C ATOM 681 CG GLU A 43 7.270 0.137 11.278 1.00 10.00 C ATOM 682 CD GLU A 43 6.568 -1.150 11.701 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.599 -2.112 10.903 1.00 10.00 O ATOM 684 OE2 GLU A 43 5.922 -1.167 12.771 1.00 10.00 O ATOM 0 H GLU A 43 6.566 2.729 10.273 1.00 10.00 H new ATOM 0 HA GLU A 43 5.787 0.943 8.225 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.263 -0.533 9.237 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.944 1.065 9.461 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.327 0.074 11.537 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.854 0.976 11.836 1.00 10.00 H new ATOM 691 N ALA A 44 4.209 0.583 11.093 1.00 10.00 N ATOM 692 CA ALA A 44 3.061 0.000 11.757 1.00 10.00 C ATOM 693 C ALA A 44 1.797 0.332 10.983 1.00 10.00 C ATOM 694 O ALA A 44 1.066 -0.579 10.608 1.00 10.00 O ATOM 695 CB ALA A 44 2.967 0.495 13.203 1.00 10.00 C ATOM 0 H ALA A 44 4.737 1.221 11.688 1.00 10.00 H new ATOM 0 HA ALA A 44 3.177 -1.083 11.784 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.099 0.046 13.685 1.00 10.00 H new ATOM 0 HB2 ALA A 44 3.870 0.211 13.744 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.866 1.580 13.210 1.00 10.00 H new ATOM 701 N VAL A 45 1.535 1.619 10.722 1.00 10.00 N ATOM 702 CA VAL A 45 0.340 1.972 9.973 1.00 10.00 C ATOM 703 C VAL A 45 0.372 1.317 8.590 1.00 10.00 C ATOM 704 O VAL A 45 -0.664 0.777 8.195 1.00 10.00 O ATOM 705 CB VAL A 45 0.010 3.479 9.982 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.893 4.314 9.053 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.474 3.714 9.637 1.00 10.00 C ATOM 0 H VAL A 45 2.118 2.405 11.011 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.520 1.554 10.496 1.00 10.00 H new ATOM 0 HB VAL A 45 0.218 3.817 10.997 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.599 5.362 9.116 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.936 4.211 9.353 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.774 3.965 8.027 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.685 4.783 9.649 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.685 3.313 8.645 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.102 3.212 10.372 1.00 10.00 H new ATOM 717 N LEU A 46 1.518 1.264 7.874 1.00 10.00 N ATOM 718 CA LEU A 46 1.474 0.473 6.647 1.00 10.00 C ATOM 719 C LEU A 46 1.063 -0.983 6.922 1.00 10.00 C ATOM 720 O LEU A 46 0.124 -1.480 6.310 1.00 10.00 O ATOM 721 CB LEU A 46 2.804 0.581 5.887 1.00 10.00 C ATOM 722 CG LEU A 46 2.831 1.738 4.874 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.012 1.399 3.624 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.331 3.059 5.461 1.00 10.00 C ATOM 0 H LEU A 46 2.403 1.717 8.102 1.00 10.00 H new ATOM 0 HA LEU A 46 0.699 0.886 6.001 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.615 0.715 6.603 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.993 -0.356 5.363 1.00 10.00 H new ATOM 0 HG LEU A 46 3.879 1.869 4.604 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.050 2.236 2.926 1.00 10.00 H new ATOM 0 HD12 LEU A 46 2.426 0.510 3.148 1.00 10.00 H new ATOM 0 HD13 LEU A 46 0.977 1.210 3.908 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.374 3.836 4.698 1.00 10.00 H new ATOM 0 HD22 LEU A 46 1.302 2.940 5.800 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.960 3.344 6.305 1.00 10.00 H new ATOM 736 N ARG A 47 1.719 -1.661 7.861 1.00 10.00 N ATOM 737 CA ARG A 47 1.529 -3.086 8.118 1.00 10.00 C ATOM 738 C ARG A 47 0.134 -3.412 8.652 1.00 10.00 C ATOM 739 O ARG A 47 -0.350 -4.533 8.480 1.00 10.00 O ATOM 740 CB ARG A 47 2.600 -3.560 9.106 1.00 10.00 C ATOM 741 CG ARG A 47 3.820 -4.087 8.340 1.00 10.00 C ATOM 742 CD ARG A 47 4.954 -4.602 9.237 1.00 10.00 C ATOM 743 NE ARG A 47 4.461 -5.318 10.429 1.00 10.00 N ATOM 744 CZ ARG A 47 4.261 -4.778 11.646 1.00 10.00 C ATOM 745 NH1 ARG A 47 4.670 -3.539 11.921 1.00 10.00 N ATOM 746 NH2 ARG A 47 3.632 -5.488 12.589 1.00 10.00 N ATOM 0 H ARG A 47 2.409 -1.228 8.475 1.00 10.00 H new ATOM 0 HA ARG A 47 1.626 -3.612 7.168 1.00 10.00 H new ATOM 0 HB2 ARG A 47 2.896 -2.738 9.757 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.195 -4.344 9.746 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.500 -4.893 7.680 1.00 10.00 H new ATOM 0 HG3 ARG A 47 4.208 -3.290 7.705 1.00 10.00 H new ATOM 0 HD2 ARG A 47 5.595 -5.267 8.658 1.00 10.00 H new ATOM 0 HD3 ARG A 47 5.571 -3.761 9.553 1.00 10.00 H new ATOM 0 HE ARG A 47 4.253 -6.311 10.322 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.141 -2.987 11.205 1.00 10.00 H new ATOM 0 HH12 ARG A 47 4.511 -3.143 12.848 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.307 -6.433 12.384 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.477 -5.085 13.513 1.00 10.00 H new ATOM 760 N ALA A 48 -0.475 -2.450 9.339 1.00 10.00 N ATOM 761 CA ALA A 48 -1.778 -2.571 9.958 1.00 10.00 C ATOM 762 C ALA A 48 -2.874 -2.482 8.903 1.00 10.00 C ATOM 763 O ALA A 48 -3.790 -3.299 8.903 1.00 10.00 O ATOM 764 CB ALA A 48 -1.922 -1.456 10.992 1.00 10.00 C ATOM 0 H ALA A 48 -0.053 -1.532 9.481 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.874 -3.539 10.450 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.898 -1.528 11.471 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.140 -1.555 11.745 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.831 -0.488 10.499 1.00 10.00 H new ATOM 770 N GLN A 49 -2.792 -1.481 8.019 1.00 10.00 N ATOM 771 CA GLN A 49 -3.790 -1.292 6.977 1.00 10.00 C ATOM 772 C GLN A 49 -3.495 -2.161 5.755 1.00 10.00 C ATOM 773 O GLN A 49 -4.351 -2.331 4.887 1.00 10.00 O ATOM 774 CB GLN A 49 -3.865 0.200 6.633 1.00 10.00 C ATOM 775 CG GLN A 49 -5.072 0.875 7.297 1.00 10.00 C ATOM 776 CD GLN A 49 -6.397 0.465 6.645 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.832 -0.674 6.753 1.00 10.00 O ATOM 778 NE2 GLN A 49 -7.057 1.380 5.946 1.00 10.00 N ATOM 0 H GLN A 49 -2.040 -0.791 8.010 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.766 -1.615 7.339 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.949 0.694 6.955 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.929 0.321 5.552 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -5.094 0.615 8.355 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.959 1.957 7.237 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.684 2.326 5.864 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.937 1.137 5.491 1.00 10.00 H new ATOM 787 N ALA A 50 -2.278 -2.699 5.675 1.00 10.00 N ATOM 788 CA ALA A 50 -1.898 -3.619 4.625 1.00 10.00 C ATOM 789 C ALA A 50 -2.835 -4.816 4.511 1.00 10.00 C ATOM 790 O ALA A 50 -3.456 -5.251 5.478 1.00 10.00 O ATOM 791 CB ALA A 50 -0.456 -4.062 4.805 1.00 10.00 C ATOM 0 H ALA A 50 -1.532 -2.503 6.343 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.986 -3.079 3.682 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.186 -4.754 4.007 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.199 -3.192 4.768 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.346 -4.559 5.769 1.00 10.00 H new ATOM 797 N GLY A 51 -2.912 -5.348 3.295 1.00 10.00 N ATOM 798 CA GLY A 51 -3.855 -6.368 2.909 1.00 10.00 C ATOM 799 C GLY A 51 -5.276 -5.839 3.055 1.00 10.00 C ATOM 800 O GLY A 51 -6.087 -6.433 3.756 1.00 10.00 O ATOM 0 H GLY A 51 -2.295 -5.065 2.533 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.674 -6.672 1.878 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.721 -7.254 3.530 1.00 10.00 H new ATOM 804 N GLY A 52 -5.604 -4.734 2.383 1.00 10.00 N ATOM 805 CA GLY A 52 -6.948 -4.187 2.420 1.00 10.00 C ATOM 806 C GLY A 52 -6.994 -2.821 1.746 1.00 10.00 C ATOM 807 O GLY A 52 -5.994 -2.366 1.180 1.00 10.00 O ATOM 0 H GLY A 52 -4.950 -4.204 1.807 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.637 -4.868 1.920 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.282 -4.099 3.454 1.00 10.00 H new ATOM 811 N ASP A 53 -8.161 -2.170 1.817 1.00 10.00 N ATOM 812 CA ASP A 53 -8.302 -0.779 1.421 1.00 10.00 C ATOM 813 C ASP A 53 -7.534 0.080 2.414 1.00 10.00 C ATOM 814 O ASP A 53 -7.866 0.107 3.602 1.00 10.00 O ATOM 815 CB ASP A 53 -9.771 -0.345 1.367 1.00 10.00 C ATOM 816 CG ASP A 53 -9.902 1.076 0.813 1.00 10.00 C ATOM 817 OD1 ASP A 53 -9.254 1.993 1.368 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.622 1.229 -0.193 1.00 10.00 O ATOM 0 H ASP A 53 -9.025 -2.597 2.150 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.899 -0.655 0.416 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.336 -1.037 0.742 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.205 -0.391 2.366 1.00 10.00 H new ATOM 823 N ALA A 54 -6.524 0.794 1.918 1.00 10.00 N ATOM 824 CA ALA A 54 -5.896 1.857 2.676 1.00 10.00 C ATOM 825 C ALA A 54 -5.968 3.156 1.891 1.00 10.00 C ATOM 826 O ALA A 54 -5.149 4.047 2.103 1.00 10.00 O ATOM 827 CB ALA A 54 -4.462 1.464 3.016 1.00 10.00 C ATOM 0 H ALA A 54 -6.127 0.649 0.990 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.425 2.014 3.616 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -3.991 2.265 3.586 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.466 0.550 3.609 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -3.903 1.296 2.096 1.00 10.00 H new ATOM 833 N THR A 55 -6.945 3.275 0.994 1.00 10.00 N ATOM 834 CA THR A 55 -7.106 4.438 0.147 1.00 10.00 C ATOM 835 C THR A 55 -7.471 5.621 1.041 1.00 10.00 C ATOM 836 O THR A 55 -6.796 6.649 1.027 1.00 10.00 O ATOM 837 CB THR A 55 -8.150 4.139 -0.943 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.768 3.005 -1.699 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.214 5.304 -1.927 1.00 10.00 C ATOM 0 H THR A 55 -7.651 2.555 0.839 1.00 10.00 H new ATOM 0 HA THR A 55 -6.186 4.692 -0.380 1.00 10.00 H new ATOM 0 HB THR A 55 -9.106 3.974 -0.447 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.158 2.449 -1.170 1.00 10.00 H new ATOM 0 HG21 THR A 55 -8.954 5.089 -2.698 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.496 6.213 -1.396 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.237 5.443 -2.391 1.00 10.00 H new ATOM 847 N ALA A 56 -8.500 5.443 1.875 1.00 10.00 N ATOM 848 CA ALA A 56 -8.922 6.469 2.817 1.00 10.00 C ATOM 849 C ALA A 56 -7.765 6.887 3.727 1.00 10.00 C ATOM 850 O ALA A 56 -7.525 8.073 3.918 1.00 10.00 O ATOM 851 CB ALA A 56 -10.120 5.973 3.630 1.00 10.00 C ATOM 0 H ALA A 56 -9.056 4.589 1.912 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.230 7.352 2.258 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.429 6.747 4.332 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -10.946 5.743 2.957 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -9.839 5.075 4.180 1.00 10.00 H new ATOM 857 N ASN A 57 -7.037 5.919 4.290 1.00 10.00 N ATOM 858 CA ASN A 57 -5.924 6.202 5.192 1.00 10.00 C ATOM 859 C ASN A 57 -4.803 6.951 4.467 1.00 10.00 C ATOM 860 O ASN A 57 -4.302 7.958 4.963 1.00 10.00 O ATOM 861 CB ASN A 57 -5.377 4.899 5.800 1.00 10.00 C ATOM 862 CG ASN A 57 -5.983 4.578 7.160 1.00 10.00 C ATOM 863 OD1 ASN A 57 -5.265 4.395 8.136 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.305 4.471 7.236 1.00 10.00 N ATOM 0 H ASN A 57 -7.203 4.925 4.133 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.299 6.837 5.994 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.575 4.074 5.116 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.294 4.977 5.900 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.747 4.231 8.123 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.878 4.629 6.407 1.00 10.00 H new ATOM 871 N PHE A 58 -4.398 6.458 3.295 1.00 10.00 N ATOM 872 CA PHE A 58 -3.414 7.116 2.446 1.00 10.00 C ATOM 873 C PHE A 58 -3.804 8.584 2.223 1.00 10.00 C ATOM 874 O PHE A 58 -3.009 9.499 2.455 1.00 10.00 O ATOM 875 CB PHE A 58 -3.318 6.328 1.134 1.00 10.00 C ATOM 876 CG PHE A 58 -2.537 6.987 0.017 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.140 7.101 0.103 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.197 7.380 -1.161 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.404 7.623 -0.975 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.466 7.914 -2.235 1.00 10.00 C ATOM 881 CZ PHE A 58 -1.068 8.036 -2.143 1.00 10.00 C ATOM 0 H PHE A 58 -4.750 5.582 2.909 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.432 7.127 2.919 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -2.862 5.361 1.347 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.329 6.132 0.777 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.629 6.786 1.001 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.269 7.271 -1.240 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.671 7.707 -0.906 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.978 8.231 -3.132 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.505 8.446 -2.969 1.00 10.00 H new ATOM 891 N GLU A 59 -5.047 8.815 1.807 1.00 10.00 N ATOM 892 CA GLU A 59 -5.559 10.154 1.560 1.00 10.00 C ATOM 893 C GLU A 59 -5.677 10.977 2.846 1.00 10.00 C ATOM 894 O GLU A 59 -5.463 12.184 2.813 1.00 10.00 O ATOM 895 CB GLU A 59 -6.899 10.042 0.839 1.00 10.00 C ATOM 896 CG GLU A 59 -6.681 9.521 -0.587 1.00 10.00 C ATOM 897 CD GLU A 59 -6.586 10.666 -1.595 1.00 10.00 C ATOM 898 OE1 GLU A 59 -7.671 11.143 -1.991 1.00 10.00 O ATOM 899 OE2 GLU A 59 -5.450 11.047 -1.959 1.00 10.00 O ATOM 0 H GLU A 59 -5.727 8.075 1.632 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.850 10.690 0.929 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.560 9.369 1.385 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.389 11.015 0.809 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -5.768 8.927 -0.623 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.502 8.859 -0.863 1.00 10.00 H new ATOM 906 N ALA A 60 -6.002 10.346 3.979 1.00 10.00 N ATOM 907 CA ALA A 60 -6.126 11.021 5.268 1.00 10.00 C ATOM 908 C ALA A 60 -4.852 11.801 5.602 1.00 10.00 C ATOM 909 O ALA A 60 -4.916 12.906 6.134 1.00 10.00 O ATOM 910 CB ALA A 60 -6.459 10.011 6.372 1.00 10.00 C ATOM 0 H ALA A 60 -6.187 9.344 4.024 1.00 10.00 H new ATOM 0 HA ALA A 60 -6.945 11.737 5.203 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.548 10.531 7.326 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.402 9.516 6.140 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -5.665 9.267 6.437 1.00 10.00 H new ATOM 916 N VAL A 61 -3.693 11.222 5.278 1.00 10.00 N ATOM 917 CA VAL A 61 -2.403 11.890 5.394 1.00 10.00 C ATOM 918 C VAL A 61 -2.329 13.044 4.389 1.00 10.00 C ATOM 919 O VAL A 61 -1.924 14.150 4.738 1.00 10.00 O ATOM 920 CB VAL A 61 -1.295 10.862 5.135 1.00 10.00 C ATOM 921 CG1 VAL A 61 0.117 11.465 5.132 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.363 9.735 6.171 1.00 10.00 C ATOM 0 H VAL A 61 -3.628 10.267 4.925 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.277 12.305 6.394 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.476 10.473 4.133 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.848 10.679 4.943 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.188 12.222 4.351 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.319 11.923 6.100 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.571 9.012 5.975 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.236 10.151 7.170 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.331 9.239 6.106 1.00 10.00 H new ATOM 932 N GLY A 62 -2.677 12.766 3.129 1.00 10.00 N ATOM 933 CA GLY A 62 -2.696 13.743 2.048 1.00 10.00 C ATOM 934 C GLY A 62 -1.721 13.336 0.952 1.00 10.00 C ATOM 935 O GLY A 62 -2.126 13.146 -0.198 1.00 10.00 O ATOM 0 H GLY A 62 -2.959 11.832 2.830 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.703 13.822 1.638 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.430 14.727 2.433 1.00 10.00 H new ATOM 939 N HIS A 63 -0.441 13.196 1.325 1.00 10.00 N ATOM 940 CA HIS A 63 0.670 12.815 0.456 1.00 10.00 C ATOM 941 C HIS A 63 0.907 13.843 -0.671 1.00 10.00 C ATOM 942 O HIS A 63 -0.038 14.440 -1.182 1.00 10.00 O ATOM 943 CB HIS A 63 0.456 11.385 -0.075 1.00 10.00 C ATOM 944 CG HIS A 63 0.603 10.301 0.969 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.366 9.819 1.821 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.737 9.576 1.203 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.196 8.852 2.574 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.479 8.657 2.227 1.00 10.00 N ATOM 0 H HIS A 63 -0.143 13.354 2.288 1.00 10.00 H new ATOM 0 HA HIS A 63 1.587 12.817 1.046 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.540 11.318 -0.512 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.169 11.198 -0.878 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.334 10.136 1.873 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.677 9.693 0.684 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.317 8.307 3.352 1.00 10.00 H new ATOM 956 N SER A 64 2.159 14.036 -1.095 1.00 10.00 N ATOM 957 CA SER A 64 2.504 14.958 -2.180 1.00 10.00 C ATOM 958 C SER A 64 2.622 14.237 -3.528 1.00 10.00 C ATOM 959 O SER A 64 2.620 13.007 -3.597 1.00 10.00 O ATOM 960 CB SER A 64 3.780 15.731 -1.818 1.00 10.00 C ATOM 961 OG SER A 64 3.446 16.711 -0.856 1.00 10.00 O ATOM 0 H SER A 64 2.964 13.555 -0.694 1.00 10.00 H new ATOM 0 HA SER A 64 1.693 15.677 -2.297 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.536 15.053 -1.423 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.205 16.199 -2.706 1.00 10.00 H new ATOM 0 HG SER A 64 4.250 17.215 -0.610 1.00 10.00 H new ATOM 967 N THR A 65 2.724 15.019 -4.607 1.00 10.00 N ATOM 968 CA THR A 65 2.884 14.562 -5.982 1.00 10.00 C ATOM 969 C THR A 65 3.995 13.519 -6.087 1.00 10.00 C ATOM 970 O THR A 65 3.795 12.443 -6.642 1.00 10.00 O ATOM 971 CB THR A 65 3.232 15.788 -6.839 1.00 10.00 C ATOM 972 OG1 THR A 65 4.311 16.467 -6.218 1.00 10.00 O ATOM 973 CG2 THR A 65 2.050 16.762 -6.947 1.00 10.00 C ATOM 0 H THR A 65 2.695 16.036 -4.537 1.00 10.00 H new ATOM 0 HA THR A 65 1.962 14.094 -6.327 1.00 10.00 H new ATOM 0 HB THR A 65 3.487 15.447 -7.842 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.552 17.254 -6.750 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.337 17.616 -7.561 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.201 16.254 -7.405 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.772 17.108 -5.952 1.00 10.00 H new ATOM 981 N ASP A 66 5.156 13.842 -5.520 1.00 10.00 N ATOM 982 CA ASP A 66 6.302 12.947 -5.434 1.00 10.00 C ATOM 983 C ASP A 66 5.854 11.564 -4.970 1.00 10.00 C ATOM 984 O ASP A 66 6.136 10.554 -5.600 1.00 10.00 O ATOM 985 CB ASP A 66 7.314 13.540 -4.443 1.00 10.00 C ATOM 986 CG ASP A 66 8.745 13.095 -4.719 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.917 12.117 -5.474 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.646 13.754 -4.157 1.00 10.00 O ATOM 0 H ASP A 66 5.327 14.755 -5.099 1.00 10.00 H new ATOM 0 HA ASP A 66 6.766 12.843 -6.415 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.262 14.628 -4.486 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.037 13.248 -3.430 1.00 10.00 H new ATOM 993 N ALA A 67 5.060 11.532 -3.899 1.00 10.00 N ATOM 994 CA ALA A 67 4.460 10.308 -3.388 1.00 10.00 C ATOM 995 C ALA A 67 3.536 9.667 -4.427 1.00 10.00 C ATOM 996 O ALA A 67 3.649 8.473 -4.686 1.00 10.00 O ATOM 997 CB ALA A 67 3.708 10.563 -2.078 1.00 10.00 C ATOM 0 H ALA A 67 4.816 12.363 -3.361 1.00 10.00 H new ATOM 0 HA ALA A 67 5.270 9.609 -3.181 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.271 9.630 -1.722 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.401 10.948 -1.330 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.916 11.292 -2.249 1.00 10.00 H new ATOM 1003 N ARG A 68 2.619 10.448 -5.015 1.00 10.00 N ATOM 1004 CA ARG A 68 1.696 9.968 -6.045 1.00 10.00 C ATOM 1005 C ARG A 68 2.467 9.242 -7.163 1.00 10.00 C ATOM 1006 O ARG A 68 2.009 8.220 -7.679 1.00 10.00 O ATOM 1007 CB ARG A 68 0.870 11.128 -6.640 1.00 10.00 C ATOM 1008 CG ARG A 68 0.017 11.967 -5.668 1.00 10.00 C ATOM 1009 CD ARG A 68 -1.250 11.238 -5.196 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.300 12.156 -4.701 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.308 12.778 -3.508 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.257 12.657 -2.704 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.344 13.529 -3.122 1.00 10.00 N ATOM 0 H ARG A 68 2.499 11.435 -4.786 1.00 10.00 H new ATOM 0 HA ARG A 68 1.008 9.266 -5.574 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.557 11.802 -7.152 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.206 10.713 -7.398 1.00 10.00 H new ATOM 0 HG2 ARG A 68 0.621 12.233 -4.800 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.268 12.899 -6.156 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.651 10.649 -6.021 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.985 10.538 -4.403 1.00 10.00 H new ATOM 0 HE ARG A 68 -3.090 12.333 -5.321 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -0.455 12.097 -2.994 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -1.252 13.124 -1.797 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.151 13.640 -3.736 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -3.328 13.991 -2.213 1.00 10.00 H new ATOM 1027 N GLU A 69 3.631 9.782 -7.533 1.00 10.00 N ATOM 1028 CA GLU A 69 4.486 9.266 -8.595 1.00 10.00 C ATOM 1029 C GLU A 69 5.293 8.065 -8.090 1.00 10.00 C ATOM 1030 O GLU A 69 5.431 7.046 -8.763 1.00 10.00 O ATOM 1031 CB GLU A 69 5.376 10.413 -9.093 1.00 10.00 C ATOM 1032 CG GLU A 69 4.685 11.227 -10.202 1.00 10.00 C ATOM 1033 CD GLU A 69 4.820 10.595 -11.588 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.777 9.348 -11.666 1.00 10.00 O ATOM 1035 OE2 GLU A 69 4.934 11.379 -12.553 1.00 10.00 O ATOM 0 H GLU A 69 4.012 10.616 -7.086 1.00 10.00 H new ATOM 0 HA GLU A 69 3.892 8.903 -9.434 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.624 11.070 -8.259 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.315 10.008 -9.470 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.628 11.333 -9.960 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.109 12.231 -10.225 1.00 10.00 H new ATOM 1042 N LEU A 70 5.801 8.159 -6.866 1.00 10.00 N ATOM 1043 CA LEU A 70 6.546 7.098 -6.220 1.00 10.00 C ATOM 1044 C LEU A 70 5.682 5.842 -6.166 1.00 10.00 C ATOM 1045 O LEU A 70 6.062 4.807 -6.705 1.00 10.00 O ATOM 1046 CB LEU A 70 7.050 7.604 -4.862 1.00 10.00 C ATOM 1047 CG LEU A 70 7.883 6.658 -3.982 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.516 5.546 -4.794 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.940 7.395 -3.147 1.00 10.00 C ATOM 0 H LEU A 70 5.701 8.994 -6.288 1.00 10.00 H new ATOM 0 HA LEU A 70 7.436 6.815 -6.782 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.647 8.497 -5.044 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.181 7.914 -4.282 1.00 10.00 H new ATOM 0 HG LEU A 70 7.181 6.208 -3.280 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.096 4.899 -4.135 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.735 4.961 -5.281 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.172 5.976 -5.550 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.496 6.675 -2.547 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.626 7.921 -3.811 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.449 8.113 -2.490 1.00 10.00 H new ATOM 1061 N SER A 71 4.494 5.938 -5.575 1.00 10.00 N ATOM 1062 CA SER A 71 3.490 4.886 -5.614 1.00 10.00 C ATOM 1063 C SER A 71 3.468 4.189 -6.976 1.00 10.00 C ATOM 1064 O SER A 71 3.664 2.982 -7.027 1.00 10.00 O ATOM 1065 CB SER A 71 2.114 5.439 -5.232 1.00 10.00 C ATOM 1066 OG SER A 71 2.195 6.059 -3.965 1.00 10.00 O ATOM 0 H SER A 71 4.201 6.761 -5.049 1.00 10.00 H new ATOM 0 HA SER A 71 3.758 4.130 -4.876 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.777 6.157 -5.980 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.379 4.634 -5.209 1.00 10.00 H new ATOM 0 HG SER A 71 2.559 6.963 -4.066 1.00 10.00 H new ATOM 1072 N LYS A 72 3.302 4.918 -8.085 1.00 10.00 N ATOM 1073 CA LYS A 72 3.314 4.311 -9.416 1.00 10.00 C ATOM 1074 C LYS A 72 4.562 3.438 -9.655 1.00 10.00 C ATOM 1075 O LYS A 72 4.444 2.335 -10.178 1.00 10.00 O ATOM 1076 CB LYS A 72 3.181 5.396 -10.494 1.00 10.00 C ATOM 1077 CG LYS A 72 1.786 6.046 -10.474 1.00 10.00 C ATOM 1078 CD LYS A 72 0.964 5.665 -11.721 1.00 10.00 C ATOM 1079 CE LYS A 72 0.777 6.868 -12.659 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.365 7.712 -12.252 1.00 10.00 N ATOM 0 H LYS A 72 3.158 5.928 -8.085 1.00 10.00 H new ATOM 0 HA LYS A 72 2.455 3.643 -9.479 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.942 6.161 -10.337 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.366 4.959 -11.475 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.252 5.735 -9.576 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.890 7.130 -10.423 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.465 4.859 -12.257 1.00 10.00 H new ATOM 0 HD3 LYS A 72 -0.011 5.286 -11.414 1.00 10.00 H new ATOM 0 HE2 LYS A 72 1.687 7.468 -12.666 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.621 6.513 -13.678 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -0.457 8.512 -12.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -1.238 7.147 -12.270 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.205 8.072 -11.289 1.00 10.00 H new ATOM 1094 N THR A 73 5.748 3.881 -9.232 1.00 10.00 N ATOM 1095 CA THR A 73 6.972 3.077 -9.289 1.00 10.00 C ATOM 1096 C THR A 73 6.859 1.775 -8.475 1.00 10.00 C ATOM 1097 O THR A 73 7.499 0.782 -8.812 1.00 10.00 O ATOM 1098 CB THR A 73 8.199 3.942 -8.913 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.629 4.682 -10.039 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.397 3.148 -8.380 1.00 10.00 C ATOM 0 H THR A 73 5.888 4.812 -8.838 1.00 10.00 H new ATOM 0 HA THR A 73 7.119 2.745 -10.317 1.00 10.00 H new ATOM 0 HB THR A 73 7.857 4.589 -8.105 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.405 5.229 -9.794 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.211 3.833 -8.142 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.104 2.607 -7.481 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.730 2.439 -9.138 1.00 10.00 H new ATOM 1108 N PHE A 74 6.032 1.758 -7.427 1.00 10.00 N ATOM 1109 CA PHE A 74 5.738 0.567 -6.629 1.00 10.00 C ATOM 1110 C PHE A 74 4.492 -0.166 -7.127 1.00 10.00 C ATOM 1111 O PHE A 74 4.092 -1.156 -6.513 1.00 10.00 O ATOM 1112 CB PHE A 74 5.546 0.939 -5.148 1.00 10.00 C ATOM 1113 CG PHE A 74 6.819 1.259 -4.396 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.807 0.266 -4.258 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.967 2.490 -3.731 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.994 0.546 -3.562 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.133 2.749 -2.992 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.167 1.798 -2.952 1.00 10.00 C ATOM 0 H PHE A 74 5.538 2.590 -7.103 1.00 10.00 H new ATOM 0 HA PHE A 74 6.593 -0.100 -6.735 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.881 1.801 -5.089 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.043 0.114 -4.644 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.652 -0.713 -4.688 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.186 3.234 -3.789 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.772 -0.200 -3.496 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.235 3.680 -2.454 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.095 2.031 -2.452 1.00 10.00 H new ATOM 1128 N ILE A 75 3.832 0.312 -8.187 1.00 10.00 N ATOM 1129 CA ILE A 75 2.615 -0.334 -8.649 1.00 10.00 C ATOM 1130 C ILE A 75 2.944 -1.758 -9.099 1.00 10.00 C ATOM 1131 O ILE A 75 3.900 -1.962 -9.845 1.00 10.00 O ATOM 1132 CB ILE A 75 1.927 0.503 -9.738 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.414 0.394 -9.546 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.367 0.139 -11.161 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.361 1.064 -10.666 1.00 10.00 C ATOM 0 H ILE A 75 4.118 1.128 -8.727 1.00 10.00 H new ATOM 0 HA ILE A 75 1.895 -0.403 -7.833 1.00 10.00 H new ATOM 0 HB ILE A 75 2.237 1.542 -9.624 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.132 -0.658 -9.491 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.138 0.848 -8.594 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.841 0.770 -11.877 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.441 0.295 -11.261 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.132 -0.907 -11.358 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.430 0.958 -10.482 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.102 2.122 -10.705 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.108 0.593 -11.616 1.00 10.00 H new ATOM 1147 N ILE A 76 2.161 -2.743 -8.657 1.00 10.00 N ATOM 1148 CA ILE A 76 2.306 -4.119 -9.127 1.00 10.00 C ATOM 1149 C ILE A 76 1.188 -4.491 -10.100 1.00 10.00 C ATOM 1150 O ILE A 76 1.317 -5.449 -10.857 1.00 10.00 O ATOM 1151 CB ILE A 76 2.414 -5.086 -7.939 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.371 -4.767 -6.856 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.837 -5.004 -7.372 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.217 -5.883 -5.823 1.00 10.00 C ATOM 0 H ILE A 76 1.417 -2.611 -7.971 1.00 10.00 H new ATOM 0 HA ILE A 76 3.237 -4.203 -9.688 1.00 10.00 H new ATOM 0 HB ILE A 76 2.210 -6.101 -8.281 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.655 -3.846 -6.347 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.407 -4.585 -7.331 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.932 -5.685 -6.526 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.553 -5.283 -8.145 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.039 -3.985 -7.041 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.466 -5.596 -5.087 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.904 -6.800 -6.322 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.171 -6.050 -5.323 1.00 10.00 H new ATOM 1166 N GLY A 77 0.094 -3.729 -10.105 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.042 -3.982 -10.962 1.00 10.00 C ATOM 1168 C GLY A 77 -2.208 -3.176 -10.434 1.00 10.00 C ATOM 1169 O GLY A 77 -2.021 -2.099 -9.866 1.00 10.00 O ATOM 0 H GLY A 77 -0.020 -2.913 -9.504 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.816 -3.698 -11.990 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.285 -5.045 -10.971 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.403 -3.730 -10.597 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.640 -3.091 -10.233 1.00 10.00 C ATOM 1175 C GLU A 78 -5.524 -4.072 -9.473 1.00 10.00 C ATOM 1176 O GLU A 78 -5.266 -5.276 -9.405 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.332 -2.543 -11.493 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.038 -1.062 -11.764 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.256 -0.310 -12.295 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -7.038 -0.929 -13.048 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.387 0.879 -11.933 1.00 10.00 O ATOM 0 H GLU A 78 -3.531 -4.660 -10.997 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.443 -2.247 -9.572 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.016 -3.131 -12.355 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.409 -2.678 -11.393 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.696 -0.589 -10.844 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.224 -0.983 -12.485 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.570 -3.514 -8.883 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.603 -4.247 -8.193 1.00 10.00 C ATOM 1190 C LEU A 79 -8.367 -5.111 -9.192 1.00 10.00 C ATOM 1191 O LEU A 79 -8.745 -4.636 -10.265 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.533 -3.223 -7.552 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.670 -3.877 -6.770 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.114 -4.643 -5.567 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.648 -2.792 -6.332 1.00 10.00 C ATOM 0 H LEU A 79 -6.722 -2.505 -8.875 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.181 -4.903 -7.431 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.958 -2.582 -6.884 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.951 -2.581 -8.327 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.194 -4.595 -7.400 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -9.935 -5.104 -5.018 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.429 -5.417 -5.913 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.581 -3.954 -4.911 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.466 -3.244 -5.772 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.131 -2.070 -5.700 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.047 -2.285 -7.211 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.610 -6.368 -8.824 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.347 -7.316 -9.647 1.00 10.00 C ATOM 1209 C HIS A 80 -10.684 -6.739 -10.122 1.00 10.00 C ATOM 1210 O HIS A 80 -11.400 -6.093 -9.355 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.532 -8.618 -8.870 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.824 -9.829 -9.707 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.006 -10.527 -9.736 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.913 -10.527 -10.454 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.824 -11.600 -10.524 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.564 -11.640 -10.990 1.00 10.00 N ATOM 0 H HIS A 80 -8.296 -6.758 -7.935 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.771 -7.523 -10.549 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.629 -8.807 -8.290 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.346 -8.484 -8.158 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.876 -10.264 -10.602 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.586 -12.331 -10.752 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.163 -12.343 -11.611 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.062 -6.985 -11.384 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.327 -6.509 -11.906 1.00 10.00 C ATOM 1226 C PRO A 81 -13.547 -7.175 -11.258 1.00 10.00 C ATOM 1227 O PRO A 81 -14.662 -6.737 -11.524 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.261 -6.713 -13.420 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.200 -7.797 -13.615 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.272 -7.632 -12.418 1.00 10.00 C ATOM 0 HA PRO A 81 -12.469 -5.456 -11.662 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.225 -7.025 -13.821 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -11.986 -5.791 -13.933 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.646 -8.791 -13.639 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.664 -7.665 -14.555 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.900 -8.598 -12.077 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.402 -7.029 -12.679 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.343 -8.187 -10.403 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.409 -8.907 -9.707 1.00 10.00 C ATOM 1240 C ASP A 82 -14.501 -8.496 -8.228 1.00 10.00 C ATOM 1241 O ASP A 82 -15.247 -9.105 -7.466 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.158 -10.420 -9.859 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.433 -11.244 -9.992 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.300 -10.839 -10.795 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.477 -12.313 -9.346 1.00 10.00 O ATOM 0 H ASP A 82 -12.411 -8.532 -10.174 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.369 -8.651 -10.154 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.534 -10.589 -10.737 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.596 -10.774 -8.995 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.705 -7.503 -7.806 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.608 -7.057 -6.423 1.00 10.00 C ATOM 1252 C ASP A 83 -14.430 -5.780 -6.203 1.00 10.00 C ATOM 1253 O ASP A 83 -15.242 -5.722 -5.280 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.114 -6.886 -6.159 1.00 10.00 C ATOM 1255 CG ASP A 83 -11.728 -6.245 -4.853 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.370 -5.271 -4.413 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -10.686 -6.723 -4.371 1.00 10.00 O ATOM 0 H ASP A 83 -13.099 -6.980 -8.438 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.029 -7.771 -5.715 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.645 -7.869 -6.208 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.691 -6.291 -6.968 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.201 -4.778 -7.061 1.00 10.00 N ATOM 1263 CA ARG A 84 -14.831 -3.463 -6.960 1.00 10.00 C ATOM 1264 C ARG A 84 -16.365 -3.511 -6.935 1.00 10.00 C ATOM 1265 O ARG A 84 -16.945 -2.538 -6.404 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.350 -2.529 -8.083 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.821 -2.919 -9.496 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.867 -3.865 -10.235 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.526 -3.283 -10.440 1.00 10.00 N ATOM 1270 CZ ARG A 84 -12.234 -2.338 -11.349 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -13.208 -1.863 -12.135 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.982 -1.881 -11.476 1.00 10.00 N ATOM 0 H ARG A 84 -13.564 -4.863 -7.853 1.00 10.00 H new ATOM 0 HA ARG A 84 -14.516 -3.064 -5.996 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.694 -1.518 -7.867 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.260 -2.504 -8.073 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -15.800 -3.392 -9.423 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.948 -2.013 -10.088 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.773 -4.792 -9.670 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.297 -4.124 -11.203 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.767 -3.623 -9.849 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -14.159 -2.219 -12.040 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -12.999 -1.145 -12.829 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.241 -2.251 -10.880 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.769 -1.163 -12.169 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.805 7.393 2.987 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.167 10.111 4.608 1.00 10.00 C HETATM 1289 CHB HEM A 201 4.931 7.807 0.300 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.169 4.809 1.330 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.792 6.768 5.822 1.00 10.00 C HETATM 1292 NA HEM A 201 4.280 8.712 2.536 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.626 9.773 3.322 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.566 10.565 2.565 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.840 9.891 1.391 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.000 8.717 1.367 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.793 10.328 0.299 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.032 11.954 2.943 1.00 10.00 C HETATM 1299 CBA HEM A 201 4.856 12.942 3.061 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.155 14.358 2.579 1.00 10.00 C HETATM 1301 O1A HEM A 201 6.310 14.622 2.184 1.00 10.00 O HETATM 1302 O2A HEM A 201 4.195 15.157 2.599 1.00 10.00 O HETATM 1303 NB HEM A 201 3.017 6.473 1.167 1.00 10.00 N HETATM 1304 C1B HEM A 201 3.981 6.788 0.234 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.842 5.863 -0.868 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.774 5.062 -0.562 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.243 5.441 0.719 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.702 5.759 -2.101 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.362 3.838 -1.348 1.00 10.00 C HETATM 1310 CBB HEM A 201 2.179 2.651 -0.751 1.00 10.00 C HETATM 1311 NC HEM A 201 1.243 6.052 3.479 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.733 5.105 2.623 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.358 4.442 3.304 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.408 4.973 4.565 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.587 6.003 4.683 1.00 10.00 C HETATM 1316 CMC HEM A 201 -1.265 3.372 2.770 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.434 4.620 5.620 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.622 3.343 6.022 1.00 10.00 C HETATM 1319 ND HEM A 201 2.526 8.286 4.888 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.691 7.830 5.869 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.905 8.645 7.036 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.832 9.605 6.702 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.225 9.368 5.326 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.273 8.434 8.393 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.425 10.596 7.678 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.519 11.757 8.048 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.926 12.348 9.392 1.00 10.00 C HETATM 1328 O1D HEM A 201 4.116 12.706 9.513 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.048 12.395 10.280 1.00 10.00 O HETATM 0 HMA1 HEM A 201 6.878 11.415 0.304 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.414 9.998 -0.668 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.774 9.886 0.474 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 4.714 4.727 -2.451 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 5.718 6.073 -1.863 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 4.297 6.402 -2.882 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.378 3.495 1.693 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -2.241 3.450 3.249 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -0.835 2.393 2.980 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.294 7.971 8.270 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.159 9.395 8.895 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 1.909 7.784 8.994 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.882 1.784 -1.341 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 2.327 2.553 0.324 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.368 3.116 6.784 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -1.028 2.541 5.584 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.542 12.988 4.104 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.013 12.550 2.491 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.737 12.317 2.195 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.567 11.912 3.892 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.484 11.418 8.092 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.570 12.525 7.276 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.346 10.995 7.252 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.699 10.065 8.589 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.568 11.001 5.070 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.645 7.900 -0.505 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.642 4.047 0.775 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.229 6.529 6.712 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.210 3.922 -2.424 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.035 5.413 6.066 1.00 10.00 H new