USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 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 Set 1.1: A 55 THR OG1 : rot 130:sc= 1.14 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.996 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0218 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -179:sc= 0.799 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 100:sc= 0.707 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0105 (180deg=-0.0831) USER MOD Single : A 1 MET N :NH3+ -175:sc= 2.33 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.15) USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.0942 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.63! C(o=-1.6!,f=-5.4!) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.39 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0708 (180deg=-0.335) USER MOD Single : A 31 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.76) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00457 X(o=-0.0046,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0.733 (180deg=0.647) USER MOD Single : A 49 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.8!) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.333 USER MOD Single : A 60 ASN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.880 -7.225 -4.452 1.00 9.67 N ATOM 2 CA MET A 1 11.735 -7.612 -3.023 1.00 10.38 C ATOM 3 C MET A 1 10.330 -7.821 -2.646 1.00 9.62 C ATOM 4 O MET A 1 9.463 -7.394 -3.376 1.00 9.62 O ATOM 5 CB MET A 1 12.364 -6.522 -2.070 1.00 13.77 C ATOM 6 CG MET A 1 11.723 -5.164 -2.126 1.00 16.29 C ATOM 7 SD MET A 1 12.400 -3.986 -0.892 1.00 17.17 S ATOM 8 CE MET A 1 11.001 -2.830 -1.046 1.00 16.11 C ATOM 0 H1 MET A 1 12.889 -7.171 -4.696 1.00 9.67 H new ATOM 0 H2 MET A 1 11.416 -7.936 -5.053 1.00 9.67 H new ATOM 0 H3 MET A 1 11.436 -6.298 -4.607 1.00 9.67 H new ATOM 0 HA MET A 1 12.271 -8.554 -2.906 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.311 -6.887 -1.044 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.421 -6.416 -2.316 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.856 -4.749 -3.125 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.650 -5.270 -1.965 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.241 -1.898 -0.534 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.811 -2.627 -2.100 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.112 -3.272 -0.596 1.00 16.11 H new ATOM 20 N GLN A 2 10.063 -8.562 -1.565 1.00 9.27 N ATOM 21 CA GLN A 2 8.745 -8.888 -0.996 1.00 9.07 C ATOM 22 C GLN A 2 8.389 -7.768 -0.024 1.00 8.72 C ATOM 23 O GLN A 2 9.224 -7.420 0.778 1.00 8.22 O ATOM 24 CB GLN A 2 8.849 -10.206 -0.190 1.00 14.46 C ATOM 25 CG GLN A 2 9.005 -11.421 -1.182 1.00 17.01 C ATOM 26 CD GLN A 2 9.506 -12.656 -0.378 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.873 -13.676 -0.197 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.745 -12.533 0.179 1.00 19.49 N ATOM 0 H GLN A 2 10.817 -8.982 -1.022 1.00 9.27 H new ATOM 0 HA GLN A 2 8.000 -8.995 -1.784 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.702 -10.164 0.487 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.960 -10.338 0.426 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.052 -11.643 -1.662 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.711 -11.174 -1.975 1.00 17.01 H new ATOM 0 HE21 GLN A 2 11.287 -11.681 0.034 1.00 19.49 H new ATOM 0 HE22 GLN A 2 11.130 -13.293 0.740 1.00 19.49 H new ATOM 37 N ILE A 3 7.123 -7.331 0.022 1.00 5.87 N ATOM 38 CA ILE A 3 6.512 -6.575 1.118 1.00 5.07 C ATOM 39 C ILE A 3 5.205 -7.171 1.390 1.00 4.01 C ATOM 40 O ILE A 3 4.606 -7.822 0.554 1.00 4.61 O ATOM 41 CB ILE A 3 6.280 -5.070 0.908 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.392 -4.830 -0.323 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.758 -4.580 0.925 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.146 -3.387 -0.572 1.00 10.83 C ATOM 0 H ILE A 3 6.468 -7.504 -0.741 1.00 5.87 H new ATOM 0 HA ILE A 3 7.239 -6.639 1.927 1.00 5.07 H new ATOM 0 HB ILE A 3 5.698 -4.504 1.636 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.865 -5.272 -1.200 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.438 -5.340 -0.184 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.785 -3.499 0.785 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.214 -4.833 1.882 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.311 -5.064 0.120 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.514 -3.272 -1.452 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.648 -2.948 0.292 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.096 -2.879 -0.739 1.00 10.83 H new ATOM 56 N PHE A 4 4.673 -6.946 2.632 1.00 4.55 N ATOM 57 CA PHE A 4 3.472 -7.538 3.047 1.00 4.68 C ATOM 58 C PHE A 4 2.442 -6.484 3.220 1.00 5.30 C ATOM 59 O PHE A 4 2.635 -5.551 4.020 1.00 5.58 O ATOM 60 CB PHE A 4 3.591 -8.281 4.337 1.00 4.83 C ATOM 61 CG PHE A 4 4.635 -9.323 4.452 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.663 -10.298 3.442 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.397 -9.467 5.575 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.574 -11.396 3.585 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.281 -10.562 5.673 1.00 10.61 C ATOM 66 CZ PHE A 4 6.433 -11.526 4.672 1.00 8.90 C ATOM 0 H PHE A 4 5.105 -6.342 3.332 1.00 4.55 H new ATOM 0 HA PHE A 4 3.198 -8.256 2.274 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.762 -7.550 5.127 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.629 -8.751 4.540 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.016 -10.223 2.581 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.324 -8.751 6.380 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.594 -12.154 2.816 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.873 -10.661 6.571 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.166 -12.316 4.738 1.00 8.90 H new ATOM 76 N VAL A 5 1.275 -6.542 2.547 1.00 4.44 N ATOM 77 CA VAL A 5 0.102 -5.717 2.803 1.00 3.87 C ATOM 78 C VAL A 5 -0.929 -6.450 3.628 1.00 4.93 C ATOM 79 O VAL A 5 -1.302 -7.566 3.321 1.00 6.84 O ATOM 80 CB VAL A 5 -0.620 -5.209 1.551 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.786 -4.251 1.877 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.407 -4.510 0.669 1.00 9.13 C ATOM 0 H VAL A 5 1.130 -7.197 1.779 1.00 4.44 H new ATOM 0 HA VAL A 5 0.517 -4.860 3.334 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.065 -6.062 1.038 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.259 -3.925 0.951 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.519 -4.768 2.496 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.404 -3.383 2.415 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.081 -4.137 -0.232 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.848 -3.676 1.215 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.190 -5.216 0.392 1.00 9.13 H new ATOM 92 N LYS A 6 -1.283 -5.865 4.791 1.00 6.04 N ATOM 93 CA LYS A 6 -2.066 -6.458 5.814 1.00 6.12 C ATOM 94 C LYS A 6 -3.484 -5.784 5.671 1.00 6.57 C ATOM 95 O LYS A 6 -3.623 -4.495 5.749 1.00 5.76 O ATOM 96 CB LYS A 6 -1.384 -6.119 7.206 1.00 7.45 C ATOM 97 CG LYS A 6 -1.879 -6.900 8.393 1.00 11.12 C ATOM 98 CD LYS A 6 -1.418 -8.385 8.532 1.00 14.54 C ATOM 99 CE LYS A 6 0.093 -8.501 8.708 1.00 18.84 C ATOM 100 NZ LYS A 6 0.599 -9.892 9.034 1.00 20.55 N ATOM 0 H LYS A 6 -0.998 -4.913 5.022 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.150 -7.543 5.747 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.311 -6.283 7.111 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.528 -5.058 7.409 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.573 -6.369 9.294 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.969 -6.888 8.370 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.918 -8.841 9.386 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.724 -8.944 7.647 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.577 -8.161 7.792 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.403 -7.823 9.503 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.632 -9.867 9.151 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.158 -10.224 9.916 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.354 -10.541 8.259 1.00 20.55 H new ATOM 114 N THR A 7 -4.538 -6.531 5.470 1.00 7.41 N ATOM 115 CA THR A 7 -5.868 -5.997 5.130 1.00 7.48 C ATOM 116 C THR A 7 -6.760 -5.622 6.292 1.00 8.75 C ATOM 117 O THR A 7 -6.417 -5.694 7.470 1.00 8.58 O ATOM 118 CB THR A 7 -6.653 -6.776 3.936 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.081 -8.030 4.431 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.713 -7.038 2.810 1.00 9.17 C ATOM 0 H THR A 7 -4.515 -7.549 5.535 1.00 7.41 H new ATOM 0 HA THR A 7 -5.593 -5.034 4.699 1.00 7.48 H new ATOM 0 HB THR A 7 -7.493 -6.171 3.596 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.558 -8.515 3.726 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.239 -7.560 2.011 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.325 -6.092 2.432 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.886 -7.654 3.162 1.00 9.17 H new ATOM 128 N LEU A 8 -7.970 -5.040 5.987 1.00 9.84 N ATOM 129 CA LEU A 8 -8.958 -4.661 6.979 1.00 14.15 C ATOM 130 C LEU A 8 -9.588 -5.797 7.730 1.00 17.37 C ATOM 131 O LEU A 8 -9.940 -5.761 8.870 1.00 17.01 O ATOM 132 CB LEU A 8 -10.075 -3.841 6.286 1.00 16.63 C ATOM 133 CG LEU A 8 -9.502 -2.577 5.596 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.272 -2.341 4.286 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.461 -1.450 6.563 1.00 18.59 C ATOM 0 H LEU A 8 -8.258 -4.833 5.031 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.414 -4.082 7.725 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.581 -4.463 5.547 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.824 -3.548 7.022 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.461 -2.696 5.294 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.880 -1.454 3.788 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.153 -3.206 3.633 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.329 -2.196 4.507 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.057 -0.564 6.073 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.469 -1.240 6.920 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.826 -1.718 7.408 1.00 18.59 H new ATOM 147 N THR A 9 -9.628 -6.906 7.059 1.00 18.33 N ATOM 148 CA THR A 9 -9.877 -8.237 7.602 1.00 19.24 C ATOM 149 C THR A 9 -8.604 -8.992 7.948 1.00 19.48 C ATOM 150 O THR A 9 -8.594 -10.219 7.991 1.00 23.14 O ATOM 151 CB THR A 9 -10.729 -9.052 6.581 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.142 -9.200 5.303 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.070 -8.267 6.380 1.00 19.70 C ATOM 0 H THR A 9 -9.480 -6.924 6.050 1.00 18.33 H new ATOM 0 HA THR A 9 -10.419 -8.112 8.539 1.00 19.24 H new ATOM 0 HB THR A 9 -10.844 -10.055 6.993 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.739 -9.723 4.728 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.702 -8.801 5.670 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.589 -8.182 7.335 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.854 -7.271 5.995 1.00 19.70 H new ATOM 161 N GLY A 10 -7.371 -8.357 8.098 1.00 19.43 N ATOM 162 CA GLY A 10 -6.222 -9.118 8.618 1.00 18.74 C ATOM 163 C GLY A 10 -5.679 -10.123 7.691 1.00 17.62 C ATOM 164 O GLY A 10 -5.214 -11.159 8.166 1.00 19.74 O ATOM 0 H GLY A 10 -7.184 -7.380 7.873 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.428 -8.418 8.879 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.522 -9.618 9.539 1.00 18.74 H new ATOM 168 N LYS A 11 -5.644 -9.932 6.342 1.00 13.56 N ATOM 169 CA LYS A 11 -5.078 -10.905 5.446 1.00 11.91 C ATOM 170 C LYS A 11 -3.747 -10.415 5.009 1.00 10.18 C ATOM 171 O LYS A 11 -3.601 -9.243 4.694 1.00 9.10 O ATOM 172 CB LYS A 11 -5.979 -11.115 4.178 1.00 13.43 C ATOM 173 CG LYS A 11 -5.424 -12.039 3.075 1.00 16.69 C ATOM 174 CD LYS A 11 -6.295 -12.032 1.861 1.00 17.92 C ATOM 175 CE LYS A 11 -5.762 -12.841 0.734 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.688 -12.791 -0.401 1.00 21.93 N ATOM 0 H LYS A 11 -6.010 -9.100 5.879 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.001 -11.858 5.970 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.938 -11.516 4.506 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.176 -10.138 3.736 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.418 -11.719 2.804 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.342 -13.056 3.459 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.282 -12.409 2.131 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.427 -11.003 1.526 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.785 -12.462 0.434 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.619 -13.874 1.052 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.170 -12.988 -1.281 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.434 -13.504 -0.272 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.118 -11.846 -0.457 1.00 21.93 H new ATOM 190 N THR A 12 -2.771 -11.289 4.917 1.00 9.63 N ATOM 191 CA THR A 12 -1.447 -10.983 4.443 1.00 9.85 C ATOM 192 C THR A 12 -1.231 -11.229 2.957 1.00 11.66 C ATOM 193 O THR A 12 -1.373 -12.334 2.432 1.00 12.33 O ATOM 194 CB THR A 12 -0.309 -11.559 5.212 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.362 -11.023 6.560 1.00 10.91 O ATOM 196 CG2 THR A 12 1.079 -11.211 4.660 1.00 9.63 C ATOM 0 H THR A 12 -2.885 -12.268 5.181 1.00 9.63 H new ATOM 0 HA THR A 12 -1.427 -9.909 4.628 1.00 9.85 H new ATOM 0 HB THR A 12 -0.424 -12.641 5.154 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.771 -11.683 7.159 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.845 -11.673 5.283 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.168 -11.583 3.639 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.212 -10.129 4.665 1.00 9.63 H new ATOM 204 N ILE A 13 -0.843 -10.209 2.233 1.00 10.42 N ATOM 205 CA ILE A 13 -0.605 -10.317 0.782 1.00 11.84 C ATOM 206 C ILE A 13 0.862 -10.012 0.603 1.00 10.55 C ATOM 207 O ILE A 13 1.319 -8.961 1.041 1.00 11.92 O ATOM 208 CB ILE A 13 -1.589 -9.402 -0.056 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.016 -9.937 0.218 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.320 -9.622 -1.570 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.097 -9.276 -0.659 1.00 16.46 C ATOM 0 H ILE A 13 -0.679 -9.277 2.613 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.825 -11.310 0.390 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.464 -8.352 0.209 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.031 -11.014 0.050 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.261 -9.775 1.268 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.994 -8.995 -2.154 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.288 -9.356 -1.799 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.489 -10.669 -1.821 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.072 -9.698 -0.415 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.109 -8.202 -0.473 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.875 -9.460 -1.710 1.00 16.46 H new ATOM 223 N THR A 14 1.624 -10.882 -0.073 1.00 9.39 N ATOM 224 CA THR A 14 3.007 -10.744 -0.428 1.00 9.63 C ATOM 225 C THR A 14 3.116 -10.252 -1.828 1.00 11.20 C ATOM 226 O THR A 14 2.455 -10.731 -2.678 1.00 11.63 O ATOM 227 CB THR A 14 3.831 -12.040 -0.368 1.00 10.38 C ATOM 228 OG1 THR A 14 3.609 -12.677 0.915 1.00 16.30 O ATOM 229 CG2 THR A 14 5.271 -11.673 -0.459 1.00 11.66 C ATOM 0 H THR A 14 1.239 -11.767 -0.404 1.00 9.39 H new ATOM 0 HA THR A 14 3.409 -10.054 0.314 1.00 9.63 H new ATOM 0 HB THR A 14 3.544 -12.711 -1.178 1.00 10.38 H new ATOM 0 HG1 THR A 14 4.012 -12.133 1.624 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.880 -12.576 -0.419 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.455 -11.153 -1.399 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.534 -11.021 0.374 1.00 11.66 H new ATOM 237 N LEU A 15 3.862 -9.164 -2.121 1.00 8.29 N ATOM 238 CA LEU A 15 3.949 -8.513 -3.387 1.00 9.03 C ATOM 239 C LEU A 15 5.314 -8.501 -3.949 1.00 8.59 C ATOM 240 O LEU A 15 6.296 -8.788 -3.241 1.00 7.79 O ATOM 241 CB LEU A 15 3.462 -7.031 -3.315 1.00 11.08 C ATOM 242 CG LEU A 15 1.972 -6.914 -3.082 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.524 -5.428 -2.777 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.107 -7.544 -4.163 1.00 15.27 C ATOM 0 H LEU A 15 4.444 -8.712 -1.416 1.00 8.29 H new ATOM 0 HA LEU A 15 3.301 -9.101 -4.037 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.992 -6.518 -2.513 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.721 -6.523 -4.244 1.00 11.08 H new ATOM 0 HG LEU A 15 1.795 -7.511 -2.187 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.446 -5.398 -2.617 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.033 -5.071 -1.882 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.783 -4.789 -3.621 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.055 -7.411 -3.911 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.314 -7.065 -5.120 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.331 -8.608 -4.234 1.00 15.27 H new ATOM 256 N GLU A 16 5.463 -8.212 -5.275 1.00 11.04 N ATOM 257 CA GLU A 16 6.781 -8.068 -5.849 1.00 11.50 C ATOM 258 C GLU A 16 6.909 -6.623 -6.329 1.00 10.13 C ATOM 259 O GLU A 16 6.241 -6.117 -7.260 1.00 9.83 O ATOM 260 CB GLU A 16 7.057 -9.063 -6.957 1.00 17.22 C ATOM 261 CG GLU A 16 8.526 -9.099 -7.477 1.00 23.33 C ATOM 262 CD GLU A 16 9.578 -9.358 -6.436 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.555 -10.414 -5.693 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.579 -8.569 -6.440 1.00 28.86 O ATOM 0 H GLU A 16 4.691 -8.082 -5.929 1.00 11.04 H new ATOM 0 HA GLU A 16 7.535 -8.288 -5.093 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.791 -10.059 -6.602 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.399 -8.838 -7.796 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.602 -9.870 -8.244 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.745 -8.146 -7.960 1.00 23.33 H new ATOM 271 N VAL A 17 7.768 -5.930 -5.581 1.00 8.99 N ATOM 272 CA VAL A 17 8.117 -4.496 -5.787 1.00 8.85 C ATOM 273 C VAL A 17 9.598 -4.263 -5.737 1.00 8.04 C ATOM 274 O VAL A 17 10.351 -5.065 -5.211 1.00 8.99 O ATOM 275 CB VAL A 17 7.524 -3.534 -4.688 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.997 -3.632 -4.626 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.151 -3.858 -3.340 1.00 10.54 C ATOM 0 H VAL A 17 8.261 -6.347 -4.791 1.00 8.99 H new ATOM 0 HA VAL A 17 7.692 -4.274 -6.766 1.00 8.85 H new ATOM 0 HB VAL A 17 7.766 -2.505 -4.954 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.620 -2.956 -3.858 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.575 -3.355 -5.592 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.708 -4.654 -4.383 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.742 -3.193 -2.579 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.930 -4.892 -3.075 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.231 -3.721 -3.399 1.00 10.54 H new ATOM 287 N GLU A 18 10.070 -3.195 -6.402 1.00 7.29 N ATOM 288 CA GLU A 18 11.391 -2.601 -6.054 1.00 7.08 C ATOM 289 C GLU A 18 11.310 -1.479 -5.036 1.00 6.45 C ATOM 290 O GLU A 18 10.194 -0.961 -4.886 1.00 5.28 O ATOM 291 CB GLU A 18 12.064 -2.114 -7.345 1.00 10.28 C ATOM 292 CG GLU A 18 12.163 -3.178 -8.494 1.00 12.65 C ATOM 293 CD GLU A 18 12.905 -2.641 -9.760 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.486 -1.671 -10.413 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.886 -3.278 -10.180 1.00 18.17 O ATOM 0 H GLU A 18 9.579 -2.729 -7.165 1.00 7.29 H new ATOM 0 HA GLU A 18 11.985 -3.380 -5.576 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.513 -1.251 -7.719 1.00 10.28 H new ATOM 0 HB3 GLU A 18 13.070 -1.770 -7.103 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.684 -4.060 -8.121 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.159 -3.496 -8.775 1.00 12.65 H new ATOM 302 N PRO A 19 12.325 -1.072 -4.361 1.00 7.24 N ATOM 303 CA PRO A 19 12.202 0.092 -3.454 1.00 7.07 C ATOM 304 C PRO A 19 12.052 1.461 -4.218 1.00 6.65 C ATOM 305 O PRO A 19 11.749 2.461 -3.557 1.00 6.37 O ATOM 306 CB PRO A 19 13.520 0.061 -2.699 1.00 7.61 C ATOM 307 CG PRO A 19 14.464 -0.914 -3.470 1.00 8.16 C ATOM 308 CD PRO A 19 13.550 -1.859 -4.170 1.00 7.49 C ATOM 0 HA PRO A 19 11.312 0.027 -2.829 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.957 1.058 -2.644 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.370 -0.278 -1.674 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.094 -0.376 -4.178 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.130 -1.441 -2.787 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.967 -2.190 -5.121 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.364 -2.753 -3.575 1.00 7.49 H new ATOM 316 N SER A 20 12.275 1.476 -5.518 1.00 6.80 N ATOM 317 CA SER A 20 12.034 2.663 -6.373 1.00 6.28 C ATOM 318 C SER A 20 10.638 2.610 -7.077 1.00 8.45 C ATOM 319 O SER A 20 10.346 3.360 -8.018 1.00 7.26 O ATOM 320 CB SER A 20 13.027 2.652 -7.550 1.00 8.57 C ATOM 321 OG SER A 20 13.114 1.375 -8.161 1.00 11.13 O ATOM 0 H SER A 20 12.631 0.669 -6.031 1.00 6.80 H new ATOM 0 HA SER A 20 12.121 3.529 -5.717 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.718 3.388 -8.292 1.00 8.57 H new ATOM 0 HB3 SER A 20 14.013 2.952 -7.195 1.00 8.57 H new ATOM 0 HG SER A 20 13.752 1.410 -8.904 1.00 11.13 H new ATOM 327 N ASP A 21 9.752 1.728 -6.598 1.00 7.50 N ATOM 328 CA ASP A 21 8.396 1.695 -7.078 1.00 7.70 C ATOM 329 C ASP A 21 7.580 2.641 -6.221 1.00 7.08 C ATOM 330 O ASP A 21 7.919 2.895 -5.063 1.00 8.11 O ATOM 331 CB ASP A 21 7.739 0.244 -7.134 1.00 11.00 C ATOM 332 CG ASP A 21 8.209 -0.571 -8.332 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.226 -0.014 -9.466 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.497 -1.800 -8.134 1.00 14.36 O ATOM 0 H ASP A 21 9.965 1.036 -5.880 1.00 7.50 H new ATOM 0 HA ASP A 21 8.406 2.012 -8.121 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.980 -0.294 -6.217 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.654 0.343 -7.170 1.00 11.00 H new ATOM 339 N THR A 22 6.474 3.161 -6.731 1.00 5.37 N ATOM 340 CA THR A 22 5.635 4.121 -6.004 1.00 6.01 C ATOM 341 C THR A 22 4.541 3.478 -5.246 1.00 8.01 C ATOM 342 O THR A 22 4.149 2.343 -5.427 1.00 8.11 O ATOM 343 CB THR A 22 5.094 5.133 -6.925 1.00 8.92 C ATOM 344 OG1 THR A 22 4.330 4.559 -7.998 1.00 10.22 O ATOM 345 CG2 THR A 22 6.265 5.907 -7.482 1.00 9.65 C ATOM 0 H THR A 22 6.126 2.933 -7.662 1.00 5.37 H new ATOM 0 HA THR A 22 6.281 4.604 -5.271 1.00 6.01 H new ATOM 0 HB THR A 22 4.408 5.778 -6.376 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.993 5.273 -8.578 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.902 6.669 -8.172 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.807 6.384 -6.666 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.932 5.227 -8.011 1.00 9.65 H new ATOM 353 N ILE A 23 3.978 4.251 -4.248 1.00 8.32 N ATOM 354 CA ILE A 23 2.879 3.723 -3.423 1.00 9.92 C ATOM 355 C ILE A 23 1.629 3.381 -4.279 1.00 10.01 C ATOM 356 O ILE A 23 0.974 2.358 -4.151 1.00 8.71 O ATOM 357 CB ILE A 23 2.590 4.612 -2.228 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.854 5.174 -1.536 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.653 3.840 -1.276 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.886 4.129 -1.050 1.00 12.30 C ATOM 0 H ILE A 23 4.269 5.202 -4.019 1.00 8.32 H new ATOM 0 HA ILE A 23 3.205 2.774 -2.998 1.00 9.92 H new ATOM 0 HB ILE A 23 2.089 5.516 -2.574 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.352 5.851 -2.230 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.540 5.770 -0.679 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.429 4.458 -0.406 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.727 3.596 -1.796 1.00 10.90 H new ATOM 0 HG23 ILE A 23 2.141 2.921 -0.952 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.728 4.639 -0.582 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.417 3.464 -0.325 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.242 3.547 -1.900 1.00 12.30 H new ATOM 372 N GLU A 24 1.427 4.253 -5.344 1.00 9.54 N ATOM 373 CA GLU A 24 0.318 4.055 -6.225 1.00 11.81 C ATOM 374 C GLU A 24 0.379 2.706 -6.930 1.00 11.14 C ATOM 375 O GLU A 24 -0.637 2.077 -7.103 1.00 10.62 O ATOM 376 CB GLU A 24 0.182 5.135 -7.237 1.00 19.24 C ATOM 377 CG GLU A 24 -1.178 5.051 -8.060 1.00 27.76 C ATOM 378 CD GLU A 24 -1.258 6.121 -9.104 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.245 6.337 -9.817 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.383 6.706 -9.327 1.00 36.51 O ATOM 0 H GLU A 24 2.020 5.053 -5.564 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.563 4.080 -5.583 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.238 6.102 -6.737 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.022 5.084 -7.929 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.257 4.073 -8.534 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.023 5.144 -7.378 1.00 27.76 H new ATOM 387 N ASN A 25 1.593 2.188 -7.349 1.00 9.43 N ATOM 388 CA ASN A 25 1.854 0.925 -7.934 1.00 10.96 C ATOM 389 C ASN A 25 1.278 -0.228 -7.024 1.00 9.68 C ATOM 390 O ASN A 25 0.676 -1.205 -7.480 1.00 9.33 O ATOM 391 CB ASN A 25 3.395 0.657 -8.194 1.00 16.78 C ATOM 392 CG ASN A 25 3.483 -0.681 -8.941 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.121 -1.590 -8.389 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.890 -0.909 -10.156 1.00 24.70 N ATOM 0 H ASN A 25 2.449 2.734 -7.253 1.00 9.43 H new ATOM 0 HA ASN A 25 1.358 0.934 -8.904 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.835 1.461 -8.784 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.946 0.614 -7.254 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.975 -1.823 -10.601 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.364 -0.165 -10.614 1.00 24.70 H new ATOM 401 N VAL A 26 1.422 -0.128 -5.712 1.00 6.52 N ATOM 402 CA VAL A 26 0.929 -1.111 -4.718 1.00 5.53 C ATOM 403 C VAL A 26 -0.623 -1.149 -4.665 1.00 4.42 C ATOM 404 O VAL A 26 -1.328 -2.162 -4.669 1.00 3.40 O ATOM 405 CB VAL A 26 1.498 -0.906 -3.336 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.008 -1.983 -2.323 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.026 -0.877 -3.381 1.00 8.12 C ATOM 0 H VAL A 26 1.900 0.662 -5.279 1.00 6.52 H new ATOM 0 HA VAL A 26 1.290 -2.078 -5.067 1.00 5.53 H new ATOM 0 HB VAL A 26 1.131 0.058 -2.984 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.447 -1.789 -1.345 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.079 -1.944 -2.247 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.312 -2.971 -2.667 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.417 -0.728 -2.374 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.396 -1.822 -3.778 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.356 -0.060 -4.023 1.00 8.12 H new ATOM 417 N LYS A 27 -1.210 -0.008 -4.791 1.00 2.64 N ATOM 418 CA LYS A 27 -2.623 0.055 -4.869 1.00 4.14 C ATOM 419 C LYS A 27 -3.268 -0.562 -6.094 1.00 5.58 C ATOM 420 O LYS A 27 -4.327 -1.255 -5.991 1.00 4.11 O ATOM 421 CB LYS A 27 -3.199 1.481 -4.709 1.00 3.97 C ATOM 422 CG LYS A 27 -2.760 2.095 -3.445 1.00 7.45 C ATOM 423 CD LYS A 27 -3.238 3.531 -3.301 1.00 9.02 C ATOM 424 CE LYS A 27 -2.713 4.128 -2.026 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.115 5.528 -1.800 1.00 15.47 N ATOM 0 H LYS A 27 -0.731 0.891 -4.842 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.886 -0.566 -4.012 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.880 2.101 -5.547 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.288 1.441 -4.738 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.134 1.505 -2.608 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.672 2.070 -3.391 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.901 4.121 -4.153 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.328 3.561 -3.303 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.058 3.524 -1.187 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.624 4.072 -2.034 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.645 5.891 -0.946 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.838 6.105 -2.620 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.146 5.577 -1.674 1.00 15.47 H new ATOM 439 N ALA A 28 -2.618 -0.417 -7.276 1.00 6.61 N ATOM 440 CA ALA A 28 -2.963 -1.149 -8.450 1.00 7.74 C ATOM 441 C ALA A 28 -2.785 -2.614 -8.329 1.00 9.17 C ATOM 442 O ALA A 28 -3.665 -3.325 -8.791 1.00 11.45 O ATOM 443 CB ALA A 28 -2.115 -0.506 -9.568 1.00 7.68 C ATOM 0 H ALA A 28 -1.837 0.226 -7.408 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.030 -1.079 -8.662 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.317 -1.009 -10.513 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.371 0.550 -9.657 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.057 -0.604 -9.324 1.00 7.68 H new ATOM 449 N LYS A 29 -1.727 -3.167 -7.717 1.00 8.96 N ATOM 450 CA LYS A 29 -1.610 -4.619 -7.466 1.00 7.90 C ATOM 451 C LYS A 29 -2.731 -5.182 -6.573 1.00 6.92 C ATOM 452 O LYS A 29 -3.318 -6.245 -6.925 1.00 6.87 O ATOM 453 CB LYS A 29 -0.209 -4.903 -6.862 1.00 10.28 C ATOM 454 CG LYS A 29 0.917 -4.673 -7.778 1.00 14.94 C ATOM 455 CD LYS A 29 2.279 -4.555 -7.169 1.00 19.69 C ATOM 456 CE LYS A 29 3.513 -4.480 -8.120 1.00 22.63 C ATOM 457 NZ LYS A 29 3.497 -5.704 -8.951 1.00 24.98 N ATOM 0 H LYS A 29 -0.930 -2.627 -7.382 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.724 -5.136 -8.419 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.075 -4.276 -5.980 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.178 -5.939 -6.524 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.939 -5.490 -8.499 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.716 -3.759 -8.338 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.287 -3.662 -6.544 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.422 -5.409 -6.507 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.463 -3.589 -8.746 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.438 -4.416 -7.547 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.421 -5.822 -9.413 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.302 -6.530 -8.349 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.756 -5.622 -9.676 1.00 24.98 H new ATOM 471 N ILE A 30 -3.076 -4.496 -5.467 1.00 4.57 N ATOM 472 CA ILE A 30 -4.112 -4.806 -4.467 1.00 5.58 C ATOM 473 C ILE A 30 -5.511 -4.710 -5.097 1.00 7.26 C ATOM 474 O ILE A 30 -6.373 -5.494 -4.729 1.00 9.46 O ATOM 475 CB ILE A 30 -4.039 -4.033 -3.155 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.793 -4.501 -2.382 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.354 -4.141 -2.327 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.810 -5.970 -1.902 1.00 2.00 C ATOM 0 H ILE A 30 -2.591 -3.631 -5.230 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.903 -5.833 -4.167 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.939 -2.968 -3.364 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.919 -4.357 -3.017 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.665 -3.856 -1.513 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.250 -3.573 -1.403 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.184 -3.739 -2.908 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.550 -5.187 -2.090 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.884 -6.190 -1.370 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.658 -6.125 -1.234 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.900 -6.633 -2.763 1.00 2.00 H new ATOM 490 N GLN A 31 -5.782 -3.884 -6.092 1.00 7.06 N ATOM 491 CA GLN A 31 -6.986 -3.914 -6.955 1.00 8.67 C ATOM 492 C GLN A 31 -7.097 -5.178 -7.747 1.00 10.90 C ATOM 493 O GLN A 31 -8.104 -5.899 -7.668 1.00 9.63 O ATOM 494 CB GLN A 31 -6.894 -2.676 -7.932 1.00 9.12 C ATOM 495 CG GLN A 31 -7.826 -2.713 -9.180 1.00 10.76 C ATOM 496 CD GLN A 31 -7.321 -1.696 -10.222 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.138 -1.605 -10.533 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.271 -0.960 -10.810 1.00 14.76 N ATOM 0 H GLN A 31 -5.145 -3.129 -6.346 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.874 -3.868 -6.325 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.119 -1.774 -7.363 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.864 -2.587 -8.277 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.839 -3.715 -9.609 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.850 -2.477 -8.891 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.245 -1.063 -10.525 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.021 -0.296 -11.543 1.00 14.76 H new ATOM 507 N ASP A 32 -6.032 -5.699 -8.409 1.00 10.93 N ATOM 508 CA ASP A 32 -6.037 -6.940 -9.077 1.00 14.01 C ATOM 509 C ASP A 32 -6.101 -8.100 -8.023 1.00 14.04 C ATOM 510 O ASP A 32 -6.712 -9.125 -8.358 1.00 13.39 O ATOM 511 CB ASP A 32 -4.788 -7.012 -10.020 1.00 18.01 C ATOM 512 CG ASP A 32 -5.100 -6.161 -11.227 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.969 -6.557 -12.003 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.394 -5.168 -11.566 1.00 26.29 O ATOM 0 H ASP A 32 -5.135 -5.217 -8.469 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.919 -7.050 -9.708 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.897 -6.646 -9.509 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.586 -8.042 -10.315 1.00 18.01 H new ATOM 519 N LYS A 33 -5.513 -7.983 -6.789 1.00 14.22 N ATOM 520 CA LYS A 33 -5.656 -8.979 -5.712 1.00 14.00 C ATOM 521 C LYS A 33 -7.048 -9.060 -5.068 1.00 12.37 C ATOM 522 O LYS A 33 -7.523 -10.156 -4.795 1.00 12.17 O ATOM 523 CB LYS A 33 -4.599 -8.908 -4.615 1.00 18.62 C ATOM 524 CG LYS A 33 -3.115 -9.009 -5.132 1.00 24.00 C ATOM 525 CD LYS A 33 -2.603 -10.482 -5.130 1.00 27.61 C ATOM 526 CE LYS A 33 -1.160 -10.557 -5.765 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.681 -11.963 -5.621 1.00 30.06 N ATOM 0 H LYS A 33 -4.929 -7.188 -6.529 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.496 -9.900 -6.273 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.719 -7.970 -4.073 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.778 -9.713 -3.903 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.053 -8.603 -6.142 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.468 -8.398 -4.503 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.580 -10.866 -4.110 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.290 -11.114 -5.693 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.187 -10.267 -6.815 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.483 -9.867 -5.261 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.271 -12.049 -6.031 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.649 -12.217 -4.613 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.331 -12.604 -6.119 1.00 30.06 H new ATOM 541 N GLU A 34 -7.613 -7.929 -4.626 1.00 10.11 N ATOM 542 CA GLU A 34 -8.676 -7.903 -3.635 1.00 10.07 C ATOM 543 C GLU A 34 -9.874 -7.163 -4.125 1.00 9.32 C ATOM 544 O GLU A 34 -10.859 -7.003 -3.396 1.00 11.61 O ATOM 545 CB GLU A 34 -8.302 -7.162 -2.333 1.00 14.77 C ATOM 546 CG GLU A 34 -7.289 -7.936 -1.583 1.00 18.75 C ATOM 547 CD GLU A 34 -7.819 -9.126 -0.877 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.644 -8.940 0.100 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.446 -10.296 -1.200 1.00 25.19 O ATOM 0 H GLU A 34 -7.337 -7.003 -4.954 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.864 -8.961 -3.450 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.914 -6.171 -2.568 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.191 -7.019 -1.718 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.511 -8.257 -2.275 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.815 -7.279 -0.854 1.00 18.75 H new ATOM 556 N GLY A 35 -9.825 -6.585 -5.360 1.00 7.22 N ATOM 557 CA GLY A 35 -11.014 -6.045 -5.980 1.00 6.29 C ATOM 558 C GLY A 35 -11.296 -4.604 -5.718 1.00 6.93 C ATOM 559 O GLY A 35 -12.393 -4.115 -6.064 1.00 7.41 O ATOM 0 H GLY A 35 -8.976 -6.494 -5.918 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.934 -6.188 -7.058 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.871 -6.629 -5.644 1.00 6.29 H new ATOM 563 N ILE A 36 -10.391 -3.911 -5.036 1.00 5.86 N ATOM 564 CA ILE A 36 -10.663 -2.580 -4.526 1.00 6.07 C ATOM 565 C ILE A 36 -10.063 -1.549 -5.533 1.00 6.36 C ATOM 566 O ILE A 36 -8.809 -1.530 -5.681 1.00 6.18 O ATOM 567 CB ILE A 36 -9.901 -2.443 -3.188 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.187 -3.636 -2.286 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.369 -1.076 -2.608 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.246 -3.711 -1.076 1.00 9.49 C ATOM 0 H ILE A 36 -9.455 -4.257 -4.824 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.732 -2.411 -4.395 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.817 -2.450 -3.298 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.218 -3.581 -1.935 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.097 -4.554 -2.867 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.875 -0.897 -1.653 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.112 -0.278 -3.305 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.449 -1.094 -2.460 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.499 -4.582 -0.471 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.216 -3.796 -1.421 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.354 -2.808 -0.475 1.00 9.49 H new ATOM 582 N PRO A 37 -10.893 -0.700 -6.219 1.00 8.65 N ATOM 583 CA PRO A 37 -10.322 0.381 -7.091 1.00 9.18 C ATOM 584 C PRO A 37 -9.227 1.190 -6.487 1.00 9.85 C ATOM 585 O PRO A 37 -9.341 1.440 -5.274 1.00 8.51 O ATOM 586 CB PRO A 37 -11.627 1.204 -7.443 1.00 11.42 C ATOM 587 CG PRO A 37 -12.688 0.138 -7.427 1.00 9.27 C ATOM 588 CD PRO A 37 -12.351 -0.787 -6.289 1.00 8.33 C ATOM 0 HA PRO A 37 -9.789 -0.009 -7.958 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.825 1.987 -6.711 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.552 1.690 -8.416 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.676 0.577 -7.290 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.708 -0.403 -8.373 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.820 -0.469 -5.358 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.686 -1.806 -6.483 1.00 8.33 H new ATOM 596 N PRO A 38 -8.165 1.667 -7.090 1.00 8.71 N ATOM 597 CA PRO A 38 -6.939 2.277 -6.447 1.00 9.08 C ATOM 598 C PRO A 38 -7.302 3.509 -5.633 1.00 9.28 C ATOM 599 O PRO A 38 -6.656 3.822 -4.621 1.00 6.50 O ATOM 600 CB PRO A 38 -5.992 2.567 -7.621 1.00 10.31 C ATOM 601 CG PRO A 38 -6.895 2.622 -8.832 1.00 10.81 C ATOM 602 CD PRO A 38 -8.005 1.613 -8.482 1.00 12.00 C ATOM 0 HA PRO A 38 -6.460 1.618 -5.723 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.461 3.508 -7.479 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.237 1.787 -7.724 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.295 3.623 -8.992 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.366 2.341 -9.743 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.935 1.867 -8.990 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.731 0.608 -8.803 1.00 12.00 H new ATOM 610 N ASP A 39 -8.410 4.200 -5.944 1.00 11.20 N ATOM 611 CA ASP A 39 -8.718 5.396 -5.219 1.00 14.96 C ATOM 612 C ASP A 39 -9.590 5.147 -3.968 1.00 13.99 C ATOM 613 O ASP A 39 -10.105 6.042 -3.308 1.00 13.75 O ATOM 614 CB ASP A 39 -9.357 6.433 -6.175 1.00 24.16 C ATOM 615 CG ASP A 39 -8.442 6.671 -7.332 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.424 7.372 -7.096 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.776 6.336 -8.488 1.00 35.55 O ATOM 0 H ASP A 39 -9.076 3.944 -6.673 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.781 5.798 -4.833 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.322 6.071 -6.529 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.542 7.367 -5.645 1.00 24.16 H new ATOM 622 N GLN A 40 -9.779 3.848 -3.697 1.00 11.60 N ATOM 623 CA GLN A 40 -10.559 3.447 -2.551 1.00 10.76 C ATOM 624 C GLN A 40 -9.627 2.937 -1.459 1.00 8.01 C ATOM 625 O GLN A 40 -10.072 2.394 -0.458 1.00 8.96 O ATOM 626 CB GLN A 40 -11.559 2.435 -3.043 1.00 11.14 C ATOM 627 CG GLN A 40 -12.741 2.362 -1.988 1.00 14.85 C ATOM 628 CD GLN A 40 -13.658 1.243 -2.558 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.793 0.132 -2.040 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.337 1.570 -3.671 1.00 18.16 N ATOM 0 H GLN A 40 -9.404 3.080 -4.253 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.110 4.270 -2.095 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.940 2.721 -4.023 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.089 1.458 -3.157 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.376 2.115 -0.991 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.268 3.313 -1.908 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.216 2.492 -4.090 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.973 0.896 -4.097 1.00 18.16 H new ATOM 639 N GLN A 41 -8.279 3.079 -1.536 1.00 6.52 N ATOM 640 CA GLN A 41 -7.296 2.554 -0.595 1.00 3.87 C ATOM 641 C GLN A 41 -6.414 3.645 0.000 1.00 4.79 C ATOM 642 O GLN A 41 -5.863 4.508 -0.692 1.00 6.34 O ATOM 643 CB GLN A 41 -6.328 1.604 -1.349 1.00 4.20 C ATOM 644 CG GLN A 41 -7.040 0.382 -2.023 1.00 3.20 C ATOM 645 CD GLN A 41 -6.039 -0.448 -2.835 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.921 -0.744 -2.381 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.357 -0.660 -4.103 1.00 7.13 N ATOM 0 H GLN A 41 -7.841 3.592 -2.301 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.860 2.059 0.195 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.799 2.172 -2.114 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.577 1.235 -0.650 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.503 -0.243 -1.259 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.840 0.735 -2.674 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.284 -0.406 -4.446 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.675 -1.077 -4.737 1.00 7.13 H new ATOM 656 N ARG A 42 -6.100 3.609 1.311 1.00 5.73 N ATOM 657 CA ARG A 42 -4.947 4.307 1.887 1.00 6.97 C ATOM 658 C ARG A 42 -4.090 3.172 2.530 1.00 7.15 C ATOM 659 O ARG A 42 -4.614 2.166 2.939 1.00 7.33 O ATOM 660 CB ARG A 42 -5.413 5.214 2.980 1.00 13.23 C ATOM 661 CG ARG A 42 -6.039 6.517 2.340 1.00 21.27 C ATOM 662 CD ARG A 42 -6.443 7.621 3.412 1.00 26.14 C ATOM 663 NE ARG A 42 -6.892 8.764 2.540 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.886 9.589 2.909 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.341 9.587 4.165 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.416 10.436 1.998 1.00 36.39 N ATOM 0 H ARG A 42 -6.646 3.090 1.998 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.405 4.896 1.147 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.153 4.707 3.600 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.579 5.478 3.631 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.324 6.947 1.639 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.922 6.241 1.764 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.239 7.275 4.072 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.601 7.899 4.046 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.428 8.916 1.644 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.933 8.955 4.854 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.096 10.217 4.435 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.061 10.444 1.042 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.171 11.067 2.267 1.00 36.39 H new ATOM 680 N LEU A 43 -2.729 3.280 2.535 1.00 4.65 N ATOM 681 CA LEU A 43 -1.792 2.419 3.197 1.00 3.51 C ATOM 682 C LEU A 43 -1.067 3.148 4.300 1.00 5.56 C ATOM 683 O LEU A 43 -0.598 4.313 4.170 1.00 4.19 O ATOM 684 CB LEU A 43 -0.751 1.955 2.199 1.00 3.74 C ATOM 685 CG LEU A 43 -1.320 1.101 1.118 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.312 0.944 -0.078 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.772 -0.288 1.642 1.00 6.41 C ATOM 0 H LEU A 43 -2.260 4.033 2.033 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.347 1.580 3.617 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.271 2.826 1.752 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.025 1.398 2.724 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.209 1.614 0.751 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.758 0.316 -0.849 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.087 1.925 -0.495 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.608 0.482 0.280 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.179 -0.873 0.817 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.917 -0.811 2.071 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.538 -0.157 2.407 1.00 6.41 H new ATOM 699 N ILE A 44 -0.921 2.483 5.457 1.00 4.58 N ATOM 700 CA ILE A 44 -0.204 3.032 6.625 1.00 5.55 C ATOM 701 C ILE A 44 1.066 2.246 6.835 1.00 5.46 C ATOM 702 O ILE A 44 1.110 1.033 6.866 1.00 6.04 O ATOM 703 CB ILE A 44 -0.987 3.077 7.940 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.307 3.842 7.704 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.156 3.496 9.184 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.193 4.035 8.945 1.00 13.90 C ATOM 0 H ILE A 44 -1.297 1.547 5.612 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.017 4.076 6.375 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.251 2.060 8.231 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.069 4.823 7.293 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.884 3.311 6.947 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.797 3.498 10.066 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.661 2.789 9.331 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.252 4.495 9.029 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.093 4.583 8.668 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.471 3.061 9.349 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.644 4.597 9.700 1.00 13.90 H new ATOM 718 N PHE A 45 2.165 2.980 6.858 1.00 6.75 N ATOM 719 CA PHE A 45 3.454 2.353 7.279 1.00 4.70 C ATOM 720 C PHE A 45 4.072 3.265 8.387 1.00 6.34 C ATOM 721 O PHE A 45 4.102 4.512 8.310 1.00 5.45 O ATOM 722 CB PHE A 45 4.500 2.229 6.065 1.00 5.51 C ATOM 723 CG PHE A 45 5.813 1.581 6.431 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.929 0.236 6.841 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.974 2.376 6.572 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.117 -0.288 7.337 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.207 1.875 7.046 1.00 6.64 C ATOM 728 CZ PHE A 45 8.256 0.545 7.468 1.00 6.84 C ATOM 0 H PHE A 45 2.218 3.967 6.607 1.00 6.75 H new ATOM 0 HA PHE A 45 3.254 1.343 7.637 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.038 1.655 5.262 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.699 3.226 5.671 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.065 -0.408 6.767 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.915 3.420 6.303 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.172 -1.328 7.622 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.086 2.502 7.081 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.165 0.150 7.896 1.00 6.84 H new ATOM 738 N ALA A 46 4.527 2.686 9.442 1.00 6.53 N ATOM 739 CA ALA A 46 5.170 3.318 10.671 1.00 7.15 C ATOM 740 C ALA A 46 4.370 4.327 11.449 1.00 9.00 C ATOM 741 O ALA A 46 4.775 5.374 11.928 1.00 11.15 O ATOM 742 CB ALA A 46 6.582 3.760 10.307 1.00 8.99 C ATOM 0 H ALA A 46 4.483 1.671 9.532 1.00 6.53 H new ATOM 0 HA ALA A 46 5.209 2.535 11.428 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.056 4.215 11.177 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.163 2.895 9.988 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.538 4.487 9.496 1.00 8.99 H new ATOM 748 N GLY A 47 3.025 4.023 11.586 1.00 9.35 N ATOM 749 CA GLY A 47 2.037 4.982 12.101 1.00 11.68 C ATOM 750 C GLY A 47 1.556 6.088 11.124 1.00 11.14 C ATOM 751 O GLY A 47 0.712 6.896 11.466 1.00 13.93 O ATOM 0 H GLY A 47 2.628 3.116 11.340 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.164 4.422 12.436 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.461 5.467 12.980 1.00 11.68 H new ATOM 755 N LYS A 48 2.110 6.130 9.896 1.00 10.47 N ATOM 756 CA LYS A 48 2.065 7.235 8.998 1.00 8.82 C ATOM 757 C LYS A 48 1.341 6.850 7.630 1.00 7.68 C ATOM 758 O LYS A 48 1.587 5.827 7.051 1.00 6.47 O ATOM 759 CB LYS A 48 3.456 7.779 8.601 1.00 9.74 C ATOM 760 CG LYS A 48 4.264 7.994 9.842 1.00 14.14 C ATOM 761 CD LYS A 48 5.692 8.626 9.653 1.00 16.32 C ATOM 762 CE LYS A 48 6.440 8.726 10.984 1.00 20.04 C ATOM 763 NZ LYS A 48 6.674 7.382 11.544 1.00 23.92 N ATOM 0 H LYS A 48 2.622 5.336 9.510 1.00 10.47 H new ATOM 0 HA LYS A 48 1.518 7.997 9.553 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.961 7.075 7.939 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.352 8.715 8.052 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.693 8.636 10.513 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.380 7.033 10.343 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.270 8.021 8.954 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.597 9.618 9.212 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.392 9.236 10.836 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.863 9.325 11.689 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.337 7.449 12.342 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.773 6.982 11.875 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.077 6.765 10.810 1.00 23.92 H new ATOM 777 N GLN A 49 0.359 7.619 7.261 1.00 8.89 N ATOM 778 CA GLN A 49 -0.279 7.727 5.943 1.00 7.18 C ATOM 779 C GLN A 49 0.726 8.050 4.848 1.00 8.23 C ATOM 780 O GLN A 49 1.772 8.648 5.106 1.00 9.70 O ATOM 781 CB GLN A 49 -1.325 8.847 5.964 1.00 11.67 C ATOM 782 CG GLN A 49 -2.437 8.535 6.968 1.00 15.82 C ATOM 783 CD GLN A 49 -3.435 7.506 6.419 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.377 6.870 5.330 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.450 7.300 7.232 1.00 20.67 N ATOM 0 H GLN A 49 -0.072 8.258 7.929 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.737 6.761 5.730 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.848 9.791 6.225 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.752 8.970 4.969 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.997 8.157 7.891 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.966 9.454 7.221 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.508 7.808 8.115 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.179 6.632 6.979 1.00 20.67 H new ATOM 794 N LEU A 50 0.413 7.598 3.608 1.00 6.51 N ATOM 795 CA LEU A 50 1.294 7.830 2.494 1.00 7.41 C ATOM 796 C LEU A 50 0.736 8.602 1.345 1.00 8.27 C ATOM 797 O LEU A 50 -0.426 8.604 0.997 1.00 8.34 O ATOM 798 CB LEU A 50 1.848 6.419 1.948 1.00 7.13 C ATOM 799 CG LEU A 50 2.359 5.421 3.051 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.789 4.109 2.326 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.567 5.939 3.940 1.00 9.11 C ATOM 0 H LEU A 50 -0.436 7.081 3.381 1.00 6.51 H new ATOM 0 HA LEU A 50 2.079 8.466 2.903 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.055 5.932 1.381 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.664 6.613 1.252 1.00 7.13 H new ATOM 0 HG LEU A 50 1.536 5.283 3.752 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.151 3.389 3.060 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.934 3.689 1.797 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.583 4.331 1.613 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.838 5.173 4.667 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.424 6.153 3.301 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.270 6.847 4.464 1.00 9.11 H new ATOM 813 N GLU A 51 1.598 9.323 0.633 1.00 9.43 N ATOM 814 CA GLU A 51 1.183 10.030 -0.605 1.00 11.90 C ATOM 815 C GLU A 51 1.530 9.070 -1.836 1.00 11.49 C ATOM 816 O GLU A 51 2.306 8.148 -1.746 1.00 9.88 O ATOM 817 CB GLU A 51 1.896 11.366 -0.777 1.00 16.56 C ATOM 818 CG GLU A 51 1.229 12.570 0.008 1.00 26.06 C ATOM 819 CD GLU A 51 -0.185 12.837 -0.461 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.332 13.354 -1.624 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.144 12.697 0.339 1.00 32.13 O ATOM 0 H GLU A 51 2.581 9.441 0.877 1.00 9.43 H new ATOM 0 HA GLU A 51 0.117 10.251 -0.551 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.928 11.259 -0.444 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.928 11.613 -1.838 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.221 12.347 1.075 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.831 13.468 -0.126 1.00 26.06 H new ATOM 828 N ASP A 52 0.867 9.273 -2.995 1.00 12.71 N ATOM 829 CA ASP A 52 0.826 8.343 -4.102 1.00 16.56 C ATOM 830 C ASP A 52 2.089 8.396 -4.970 1.00 15.83 C ATOM 831 O ASP A 52 2.596 7.308 -5.260 1.00 17.21 O ATOM 832 CB ASP A 52 -0.561 8.584 -4.847 1.00 21.05 C ATOM 833 CG ASP A 52 -1.758 8.126 -4.031 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.638 6.997 -3.505 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.827 8.809 -4.060 1.00 25.82 O ATOM 0 H ASP A 52 0.333 10.124 -3.174 1.00 12.71 H new ATOM 0 HA ASP A 52 0.850 7.306 -3.766 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.666 9.645 -5.073 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.553 8.054 -5.800 1.00 21.05 H new ATOM 840 N GLY A 53 2.619 9.563 -5.393 1.00 15.00 N ATOM 841 CA GLY A 53 3.830 9.641 -6.292 1.00 11.77 C ATOM 842 C GLY A 53 5.191 9.453 -5.681 1.00 11.10 C ATOM 843 O GLY A 53 6.178 9.363 -6.377 1.00 11.25 O ATOM 0 H GLY A 53 2.240 10.474 -5.136 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.711 8.891 -7.074 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.818 10.615 -6.781 1.00 11.77 H new ATOM 847 N ARG A 54 5.224 9.403 -4.337 1.00 8.53 N ATOM 848 CA ARG A 54 6.298 8.968 -3.464 1.00 9.05 C ATOM 849 C ARG A 54 6.593 7.511 -3.610 1.00 8.96 C ATOM 850 O ARG A 54 5.847 6.671 -4.077 1.00 11.60 O ATOM 851 CB ARG A 54 5.885 9.308 -2.007 1.00 7.97 C ATOM 852 CG ARG A 54 5.734 10.785 -1.672 1.00 9.62 C ATOM 853 CD ARG A 54 6.987 11.591 -2.007 1.00 12.20 C ATOM 854 NE ARG A 54 6.679 12.945 -1.586 1.00 18.23 N ATOM 855 CZ ARG A 54 7.249 13.529 -0.506 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.157 12.972 0.276 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.798 14.770 -0.184 1.00 23.38 N ATOM 0 H ARG A 54 4.412 9.698 -3.794 1.00 8.53 H new ATOM 0 HA ARG A 54 7.217 9.487 -3.736 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.938 8.812 -1.796 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.627 8.879 -1.333 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.885 11.194 -2.220 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.509 10.893 -0.611 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.860 11.202 -1.482 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.211 11.549 -3.073 1.00 12.20 H new ATOM 0 HE ARG A 54 6.002 13.481 -2.129 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.483 12.025 0.085 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.532 13.490 1.071 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.069 15.209 -0.746 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.189 15.262 0.620 1.00 23.38 H new ATOM 871 N THR A 55 7.905 7.195 -3.370 1.00 9.05 N ATOM 872 CA THR A 55 8.443 5.810 -3.428 1.00 9.03 C ATOM 873 C THR A 55 8.476 5.080 -2.069 1.00 8.15 C ATOM 874 O THR A 55 8.401 5.631 -0.989 1.00 5.91 O ATOM 875 CB THR A 55 9.853 5.743 -4.007 1.00 11.15 C ATOM 876 OG1 THR A 55 10.675 6.738 -3.407 1.00 11.95 O ATOM 877 CG2 THR A 55 9.721 6.235 -5.418 1.00 11.71 C ATOM 0 H THR A 55 8.609 7.894 -3.133 1.00 9.05 H new ATOM 0 HA THR A 55 7.734 5.306 -4.085 1.00 9.03 H new ATOM 0 HB THR A 55 10.260 4.740 -3.876 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.509 6.329 -3.094 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.697 6.216 -5.903 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.032 5.591 -5.965 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.338 7.255 -5.413 1.00 11.71 H new ATOM 885 N LEU A 56 8.635 3.790 -2.224 1.00 6.91 N ATOM 886 CA LEU A 56 8.900 2.876 -1.138 1.00 8.29 C ATOM 887 C LEU A 56 10.251 3.170 -0.419 1.00 8.05 C ATOM 888 O LEU A 56 10.401 3.018 0.793 1.00 10.17 O ATOM 889 CB LEU A 56 8.969 1.470 -1.803 1.00 6.60 C ATOM 890 CG LEU A 56 7.500 1.042 -2.205 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.433 -0.027 -3.265 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.732 0.575 -0.956 1.00 8.64 C ATOM 0 H LEU A 56 8.583 3.332 -3.134 1.00 6.91 H new ATOM 0 HA LEU A 56 8.126 2.963 -0.375 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.612 1.497 -2.683 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.402 0.744 -1.114 1.00 6.60 H new ATOM 0 HG LEU A 56 7.040 1.930 -2.638 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.390 -0.261 -3.481 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.920 0.329 -4.173 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.940 -0.924 -2.910 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.721 0.282 -1.239 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.246 -0.277 -0.510 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.684 1.389 -0.233 1.00 8.64 H new ATOM 904 N SER A 57 11.293 3.709 -1.141 1.00 8.92 N ATOM 905 CA SER A 57 12.493 4.261 -0.490 1.00 9.00 C ATOM 906 C SER A 57 12.305 5.471 0.374 1.00 9.44 C ATOM 907 O SER A 57 12.926 5.649 1.427 1.00 10.91 O ATOM 908 CB SER A 57 13.509 4.619 -1.526 1.00 10.32 C ATOM 909 OG SER A 57 12.916 5.314 -2.587 1.00 13.59 O ATOM 0 H SER A 57 11.308 3.763 -2.159 1.00 8.92 H new ATOM 0 HA SER A 57 12.804 3.458 0.178 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.292 5.231 -1.078 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.987 3.714 -1.901 1.00 10.32 H new ATOM 0 HG SER A 57 13.599 5.540 -3.253 1.00 13.59 H new ATOM 915 N ASP A 58 11.427 6.417 0.015 1.00 9.11 N ATOM 916 CA ASP A 58 11.305 7.685 0.611 1.00 7.91 C ATOM 917 C ASP A 58 10.699 7.556 2.044 1.00 9.12 C ATOM 918 O ASP A 58 10.920 8.347 2.947 1.00 8.61 O ATOM 919 CB ASP A 58 10.205 8.426 -0.204 1.00 8.41 C ATOM 920 CG ASP A 58 10.261 9.906 0.002 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.323 10.521 -0.042 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.198 10.469 0.199 1.00 10.05 O ATOM 0 H ASP A 58 10.761 6.276 -0.745 1.00 9.11 H new ATOM 0 HA ASP A 58 12.278 8.176 0.639 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.326 8.202 -1.264 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.223 8.055 0.090 1.00 8.41 H new ATOM 927 N TYR A 59 9.871 6.542 2.222 1.00 7.97 N ATOM 928 CA TYR A 59 9.139 6.136 3.402 1.00 8.45 C ATOM 929 C TYR A 59 9.966 5.081 4.085 1.00 10.98 C ATOM 930 O TYR A 59 9.605 4.585 5.168 1.00 12.95 O ATOM 931 CB TYR A 59 7.742 5.610 2.920 1.00 7.94 C ATOM 932 CG TYR A 59 6.884 6.810 2.586 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.629 7.789 3.521 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.176 6.896 1.363 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.700 8.812 3.325 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.283 7.969 1.111 1.00 6.52 C ATOM 937 CZ TYR A 59 5.109 8.954 2.080 1.00 6.76 C ATOM 938 OH TYR A 59 4.228 10.025 1.997 1.00 7.63 O ATOM 0 H TYR A 59 9.675 5.909 1.446 1.00 7.97 H new ATOM 0 HA TYR A 59 8.963 6.942 4.115 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.857 4.968 2.047 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.271 5.009 3.698 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.175 7.764 4.452 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.318 6.134 0.611 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.446 9.483 4.132 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.743 8.022 0.177 1.00 6.52 H new ATOM 0 HH TYR A 59 4.535 10.648 1.306 1.00 7.63 H new ATOM 948 N ASN A 60 11.188 4.658 3.555 1.00 12.38 N ATOM 949 CA ASN A 60 12.133 3.662 4.140 1.00 13.94 C ATOM 950 C ASN A 60 11.428 2.298 4.355 1.00 14.16 C ATOM 951 O ASN A 60 11.411 1.701 5.487 1.00 14.26 O ATOM 952 CB ASN A 60 12.830 4.272 5.418 1.00 19.23 C ATOM 953 CG ASN A 60 13.617 5.515 5.168 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.864 5.475 5.217 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.841 6.643 5.036 1.00 24.09 N ATOM 0 H ASN A 60 11.534 5.031 2.671 1.00 12.38 H new ATOM 0 HA ASN A 60 12.942 3.444 3.443 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.065 4.487 6.164 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.492 3.520 5.848 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.282 7.560 4.968 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.825 6.562 5.006 1.00 24.09 H new ATOM 962 N ILE A 61 10.806 1.730 3.292 1.00 11.08 N ATOM 963 CA ILE A 61 10.004 0.555 3.311 1.00 11.78 C ATOM 964 C ILE A 61 10.930 -0.510 2.721 1.00 13.74 C ATOM 965 O ILE A 61 11.300 -0.409 1.526 1.00 14.60 O ATOM 966 CB ILE A 61 8.592 0.628 2.553 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.827 1.769 3.254 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.930 -0.747 2.516 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.447 2.059 2.613 1.00 11.42 C ATOM 0 H ILE A 61 10.877 2.131 2.357 1.00 11.08 H new ATOM 0 HA ILE A 61 9.667 0.351 4.327 1.00 11.78 H new ATOM 0 HB ILE A 61 8.650 0.871 1.492 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.686 1.513 4.304 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.432 2.675 3.225 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.974 -0.677 1.998 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.577 -1.448 1.989 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.766 -1.099 3.534 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.959 2.871 3.152 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.583 2.345 1.570 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.826 1.165 2.666 1.00 11.42 H new ATOM 981 N GLN A 62 11.255 -1.495 3.458 1.00 13.97 N ATOM 982 CA GLN A 62 12.343 -2.378 3.255 1.00 15.52 C ATOM 983 C GLN A 62 11.718 -3.788 2.980 1.00 13.94 C ATOM 984 O GLN A 62 10.506 -4.033 3.136 1.00 12.15 O ATOM 985 CB GLN A 62 13.249 -2.387 4.530 1.00 19.53 C ATOM 986 CG GLN A 62 14.096 -1.067 4.698 1.00 26.38 C ATOM 987 CD GLN A 62 15.084 -0.718 3.577 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.704 -0.470 2.435 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.366 -0.680 3.894 1.00 32.71 N ATOM 0 H GLN A 62 10.722 -1.730 4.296 1.00 13.97 H new ATOM 0 HA GLN A 62 12.972 -2.076 2.418 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.623 -2.524 5.412 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.924 -3.241 4.482 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.403 -0.233 4.809 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.656 -1.142 5.630 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.662 -0.889 4.847 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.060 -0.442 3.185 1.00 32.71 H new ATOM 998 N LYS A 63 12.549 -4.738 2.641 1.00 11.73 N ATOM 999 CA LYS A 63 12.179 -6.121 2.387 1.00 11.97 C ATOM 1000 C LYS A 63 11.466 -6.807 3.553 1.00 10.41 C ATOM 1001 O LYS A 63 11.987 -6.954 4.660 1.00 9.59 O ATOM 1002 CB LYS A 63 13.399 -7.011 1.961 1.00 13.73 C ATOM 1003 CG LYS A 63 13.164 -8.545 1.764 1.00 16.98 C ATOM 1004 CD LYS A 63 14.487 -9.266 1.416 1.00 20.19 C ATOM 1005 CE LYS A 63 14.321 -10.785 1.698 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.572 -11.448 1.419 1.00 25.97 N ATOM 0 H LYS A 63 13.549 -4.570 2.527 1.00 11.73 H new ATOM 0 HA LYS A 63 11.475 -6.041 1.559 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.791 -6.612 1.026 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.179 -6.888 2.712 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.741 -8.972 2.673 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.437 -8.706 0.968 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.741 -9.103 0.369 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.306 -8.859 2.010 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.031 -10.947 2.736 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.527 -11.200 1.077 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.474 -12.467 1.604 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.828 -11.300 0.422 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.317 -11.055 2.030 1.00 25.97 H new ATOM 1020 N GLU A 64 10.176 -7.259 3.307 1.00 10.04 N ATOM 1021 CA GLU A 64 9.250 -7.977 4.167 1.00 10.94 C ATOM 1022 C GLU A 64 8.609 -7.023 5.192 1.00 9.74 C ATOM 1023 O GLU A 64 8.131 -7.462 6.254 1.00 9.42 O ATOM 1024 CB GLU A 64 9.849 -9.192 4.839 1.00 18.31 C ATOM 1025 CG GLU A 64 10.245 -10.320 3.847 1.00 24.16 C ATOM 1026 CD GLU A 64 11.073 -11.418 4.480 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.170 -11.087 5.087 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.662 -12.629 4.342 1.00 31.72 O ATOM 0 H GLU A 64 9.752 -7.092 2.394 1.00 10.04 H new ATOM 0 HA GLU A 64 8.471 -8.368 3.513 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.732 -8.888 5.401 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.133 -9.588 5.559 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.340 -10.756 3.425 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.805 -9.885 3.019 1.00 24.16 H new ATOM 1035 N SER A 65 8.616 -5.683 4.972 1.00 6.85 N ATOM 1036 CA SER A 65 7.875 -4.780 5.872 1.00 6.90 C ATOM 1037 C SER A 65 6.377 -4.902 5.775 1.00 4.72 C ATOM 1038 O SER A 65 5.779 -5.401 4.855 1.00 3.91 O ATOM 1039 CB SER A 65 8.158 -3.322 5.468 1.00 7.28 C ATOM 1040 OG SER A 65 9.543 -3.027 5.511 1.00 10.56 O ATOM 0 H SER A 65 9.109 -5.223 4.207 1.00 6.85 H new ATOM 0 HA SER A 65 8.205 -5.052 6.875 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.779 -3.143 4.462 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.621 -2.648 6.136 1.00 7.28 H new ATOM 0 HG SER A 65 9.994 -3.465 4.759 1.00 10.56 H new ATOM 1046 N THR A 66 5.606 -4.480 6.812 1.00 4.48 N ATOM 1047 CA THR A 66 4.143 -4.567 6.827 1.00 3.80 C ATOM 1048 C THR A 66 3.524 -3.242 6.554 1.00 4.60 C ATOM 1049 O THR A 66 3.670 -2.299 7.313 1.00 5.33 O ATOM 1050 CB THR A 66 3.522 -5.117 8.158 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.937 -6.446 8.440 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.977 -5.180 8.041 1.00 3.40 C ATOM 0 H THR A 66 5.996 -4.069 7.660 1.00 4.48 H new ATOM 0 HA THR A 66 3.919 -5.287 6.040 1.00 3.80 H new ATOM 0 HB THR A 66 3.856 -4.440 8.944 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.527 -6.746 9.278 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.557 -5.563 8.971 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.585 -4.181 7.851 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.701 -5.840 7.219 1.00 3.40 H new ATOM 1060 N LEU A 67 2.655 -3.189 5.476 1.00 4.17 N ATOM 1061 CA LEU A 67 1.850 -2.057 5.033 1.00 3.85 C ATOM 1062 C LEU A 67 0.443 -2.317 5.372 1.00 3.80 C ATOM 1063 O LEU A 67 -0.105 -3.408 5.107 1.00 5.54 O ATOM 1064 CB LEU A 67 1.903 -1.849 3.528 1.00 7.18 C ATOM 1065 CG LEU A 67 3.235 -1.279 2.934 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.499 -2.107 3.234 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.043 -1.046 1.449 1.00 11.66 C ATOM 0 H LEU A 67 2.514 -4.004 4.879 1.00 4.17 H new ATOM 0 HA LEU A 67 2.251 -1.172 5.527 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.700 -2.806 3.047 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.093 -1.174 3.251 1.00 7.18 H new ATOM 0 HG LEU A 67 3.433 -0.337 3.445 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.365 -1.627 2.779 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.645 -2.171 4.312 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.383 -3.110 2.824 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.963 -0.649 1.021 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.794 -1.989 0.962 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.233 -0.333 1.294 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.204 -1.439 6.101 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.562 -1.638 6.608 1.00 4.17 C ATOM 1081 C HIS A 68 -2.640 -0.938 5.759 1.00 5.32 C ATOM 1082 O HIS A 68 -2.598 0.271 5.637 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.736 -1.204 8.084 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.720 -1.750 9.014 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.661 -1.493 9.039 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.969 -2.713 9.976 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.171 -2.332 9.990 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.197 -3.104 10.615 1.00 16.30 N ATOM 0 H HIS A 68 0.199 -0.542 6.370 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.706 -2.716 6.539 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.707 -0.116 8.134 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.724 -1.513 8.425 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.948 -3.110 10.200 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.222 -2.390 10.231 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.313 -3.790 11.361 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.647 -1.663 5.294 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.779 -1.169 4.468 1.00 3.97 C ATOM 1098 C LEU A 69 -5.715 -0.448 5.352 1.00 5.07 C ATOM 1099 O LEU A 69 -6.227 -0.920 6.379 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.543 -2.290 3.778 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.550 -1.855 2.685 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.916 -1.050 1.556 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.121 -3.193 2.147 1.00 9.96 C ATOM 0 H LEU A 69 -3.716 -2.663 5.482 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.364 -0.526 3.691 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.821 -2.971 3.328 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -6.084 -2.855 4.537 1.00 6.08 H new ATOM 0 HG LEU A 69 -7.306 -1.188 3.098 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.681 -0.780 0.828 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.467 -0.144 1.963 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.147 -1.649 1.069 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.849 -2.988 1.362 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.310 -3.798 1.741 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.606 -3.735 2.959 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.011 0.750 4.888 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.139 1.521 5.337 1.00 6.26 C ATOM 1117 C VAL A 70 -8.090 1.778 4.142 1.00 9.22 C ATOM 1118 O VAL A 70 -7.663 1.973 3.036 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.515 2.788 5.937 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.658 3.781 6.218 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.787 2.408 7.251 1.00 8.54 C ATOM 0 H VAL A 70 -5.457 1.220 4.172 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.762 1.029 6.085 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.793 3.241 5.257 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.248 4.696 6.646 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.173 4.016 5.287 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.363 3.335 6.920 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.338 3.299 7.689 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.503 1.980 7.953 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.007 1.677 7.037 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.457 1.763 4.315 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.442 1.979 3.285 1.00 16.06 C ATOM 1133 C LEU A 71 -10.736 3.474 3.110 1.00 18.09 C ATOM 1134 O LEU A 71 -11.173 4.190 4.035 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.734 1.168 3.776 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.798 0.925 2.650 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.426 2.175 2.082 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.205 -0.021 1.574 1.00 19.57 C ATOM 0 H LEU A 71 -9.880 1.590 5.227 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.103 1.635 2.308 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.416 0.205 4.176 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.204 1.713 4.594 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.651 0.432 3.116 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.147 1.902 1.311 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.934 2.721 2.877 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.651 2.806 1.647 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.944 -0.190 0.791 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.315 0.434 1.140 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.939 -0.973 2.033 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.493 3.975 1.878 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.645 5.396 1.545 1.00 25.83 C ATOM 1152 C ARG A 72 -12.058 5.700 1.162 1.00 27.74 C ATOM 1153 O ARG A 72 -12.596 5.262 0.116 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.671 5.791 0.391 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.428 7.268 0.097 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.576 7.981 -0.643 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.104 9.342 -1.030 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.467 9.613 -2.181 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.084 8.719 -3.071 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.090 10.854 -2.458 1.00 35.02 N ATOM 0 H ARG A 72 -10.187 3.401 1.093 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.395 5.984 2.428 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.704 5.336 0.607 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.043 5.331 -0.524 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.246 7.786 1.039 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.519 7.360 -0.498 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.869 7.414 -1.527 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.456 8.051 -0.003 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.275 10.112 -0.383 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.267 7.729 -2.910 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.604 9.018 -3.920 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.284 11.606 -1.796 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.606 11.057 -3.333 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.675 6.462 2.059 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.092 6.796 2.102 1.00 30.76 C ATOM 1176 C LEU A 73 -14.248 8.172 1.393 1.00 32.18 C ATOM 1177 O LEU A 73 -13.309 8.972 1.365 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.533 6.907 3.627 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.618 5.511 4.268 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.248 5.546 5.725 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.550 4.522 3.458 1.00 29.11 C ATOM 0 H LEU A 73 -12.161 6.892 2.828 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.710 6.044 1.611 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.818 7.522 4.174 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.500 7.405 3.696 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.582 5.172 4.280 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.284 4.535 6.130 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.635 6.174 6.371 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.258 5.953 5.675 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.572 3.553 3.956 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.560 4.930 3.412 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.161 4.401 2.447 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.410 8.618 0.838 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.545 9.963 0.327 1.00 35.33 C ATOM 1195 C ARG A 74 -15.440 11.013 1.414 1.00 36.22 C ATOM 1196 O ARG A 74 -14.667 11.897 1.318 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.845 10.328 -0.518 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.194 9.338 -1.610 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.996 9.200 -2.666 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.478 8.444 -3.797 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.733 8.022 -4.835 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.479 8.479 -5.063 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.182 7.079 -5.703 1.00 41.93 N ATOM 0 H ARG A 74 -16.250 8.047 0.745 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.705 9.974 -0.368 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.692 10.409 0.163 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.703 11.310 -0.969 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.408 8.365 -1.168 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.100 9.661 -2.123 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.654 10.185 -2.985 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.142 8.699 -2.209 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.470 8.209 -3.811 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.066 9.169 -4.436 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.948 8.133 -5.862 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.108 6.670 -5.578 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.593 6.780 -6.480 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.252 10.970 2.478 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.258 11.877 3.617 1.00 36.07 C ATOM 1219 C GLY A 75 -15.240 11.636 4.720 1.00 36.16 C ATOM 1220 O GLY A 75 -15.168 12.424 5.678 1.00 36.26 O ATOM 0 H GLY A 75 -16.968 10.249 2.565 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.110 12.889 3.240 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.251 11.846 4.065 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.388 10.615 4.543 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.180 10.421 5.256 1.00 36.19 C ATOM 1226 C GLY A 76 -11.997 11.053 4.505 1.00 36.20 C ATOM 1227 O GLY A 76 -10.859 10.536 4.578 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.105 12.134 3.928 1.00 0.00 O ATOM 0 H GLY A 76 -14.560 9.881 3.856 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.264 10.862 6.249 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.001 9.355 5.395 1.00 36.19 H new TER 1232 GLY A 76