USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 502 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 34 SER OG : rot 108:sc= 0.0367 USER MOD Set 1.2: A 39 THR OG1 : rot -160:sc= -1.31 USER MOD Set 1.3: A 41 GLN : amide:sc= 0.928 K(o=-0.35,f=-0.86) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 1.09 K(o=2.1,f=-8.1!) USER MOD Set 2.2: A 62 TYR OH : rot 30:sc= 1.06 USER MOD Set 3.1: A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 11 CYS SG : rot 180:sc= 0.366 USER MOD Set 3.3: A 14 CYS SG : rot 95:sc= -0.336 USER MOD Set 4.1: A 7 THR OG1 : rot -115:sc= 0.497 USER MOD Set 4.2: A 65 THR OG1 : rot -170:sc= 0.358 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.03 (180deg=0.655) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 3 HIS : no HE2:sc= -0.303 K(o=-0.3,f=-2.9!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= 1.21 (180deg=0.735) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.000288 X(o=-0.00029,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0951 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 73:sc= 0.867 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0887 USER MOD Single : A 54 THR OG1 : rot 76:sc= 0.317 USER MOD Single : A 63 LYS NZ :NH3+ -156:sc=-0.00451 (180deg=-0.253) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.311 -3.858 -0.710 1.00 0.00 N ATOM 2 CA MET A 1 0.620 -3.028 -1.510 1.00 0.00 C ATOM 3 C MET A 1 0.161 -1.577 -1.516 1.00 0.00 C ATOM 4 O MET A 1 0.890 -0.682 -1.096 1.00 0.00 O ATOM 5 CB MET A 1 0.703 -3.555 -2.945 1.00 0.00 C ATOM 6 CG MET A 1 1.710 -2.814 -3.814 1.00 0.00 C ATOM 7 SD MET A 1 2.904 -3.921 -4.589 1.00 0.00 S ATOM 8 CE MET A 1 3.995 -2.738 -5.377 1.00 0.00 C ATOM 0 H1 MET A 1 0.185 -4.707 -0.371 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.654 -3.309 0.104 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.119 -4.141 -1.301 1.00 0.00 H new ATOM 0 HA MET A 1 1.610 -3.083 -1.056 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.968 -4.612 -2.919 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.282 -3.484 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.178 -2.260 -4.588 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.241 -2.082 -3.205 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.790 -3.269 -5.901 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.428 -2.139 -6.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.431 -2.086 -4.621 1.00 0.00 H new ATOM 20 N THR A 2 -1.053 -1.354 -1.992 1.00 0.00 N ATOM 21 CA THR A 2 -1.621 -0.019 -2.040 1.00 0.00 C ATOM 22 C THR A 2 -3.126 -0.087 -1.833 1.00 0.00 C ATOM 23 O THR A 2 -3.752 -1.110 -2.129 1.00 0.00 O ATOM 24 CB THR A 2 -1.336 0.668 -3.392 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.097 0.186 -3.945 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.283 2.179 -3.228 1.00 0.00 C ATOM 0 H THR A 2 -1.666 -2.085 -2.352 1.00 0.00 H new ATOM 0 HA THR A 2 -1.156 0.565 -1.245 1.00 0.00 H new ATOM 0 HB THR A 2 -2.148 0.424 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.072 0.628 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.081 2.643 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.239 2.537 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.491 2.441 -2.527 1.00 0.00 H new ATOM 34 N HIS A 3 -3.704 0.977 -1.299 1.00 0.00 N ATOM 35 CA HIS A 3 -5.149 1.055 -1.191 1.00 0.00 C ATOM 36 C HIS A 3 -5.720 1.705 -2.440 1.00 0.00 C ATOM 37 O HIS A 3 -5.338 2.812 -2.821 1.00 0.00 O ATOM 38 CB HIS A 3 -5.602 1.849 0.034 1.00 0.00 C ATOM 39 CG HIS A 3 -5.038 1.389 1.347 1.00 0.00 C ATOM 40 ND1 HIS A 3 -5.247 2.073 2.526 1.00 0.00 N ATOM 41 CD2 HIS A 3 -4.276 0.316 1.671 1.00 0.00 C ATOM 42 CE1 HIS A 3 -4.647 1.442 3.515 1.00 0.00 C ATOM 43 NE2 HIS A 3 -4.050 0.374 3.024 1.00 0.00 N ATOM 0 H HIS A 3 -3.201 1.788 -0.938 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.518 0.035 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.331 2.895 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.690 1.807 0.091 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.784 2.935 2.618 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.914 -0.442 0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.645 1.748 4.551 1.00 0.00 H new ATOM 52 N LEU A 4 -6.628 1.001 -3.068 1.00 0.00 N ATOM 53 CA LEU A 4 -7.313 1.491 -4.249 1.00 0.00 C ATOM 54 C LEU A 4 -8.663 2.036 -3.830 1.00 0.00 C ATOM 55 O LEU A 4 -9.247 1.564 -2.860 1.00 0.00 O ATOM 56 CB LEU A 4 -7.492 0.366 -5.272 1.00 0.00 C ATOM 57 CG LEU A 4 -7.384 0.786 -6.740 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.961 0.606 -7.245 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.357 -0.013 -7.595 1.00 0.00 C ATOM 0 H LEU A 4 -6.918 0.067 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.721 2.278 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.744 -0.402 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.468 -0.093 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.644 1.842 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.905 0.910 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.284 1.220 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.673 -0.441 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.267 0.298 -8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.126 -1.075 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.375 0.165 -7.250 1.00 0.00 H new ATOM 71 N LYS A 5 -9.160 3.021 -4.538 1.00 0.00 N ATOM 72 CA LYS A 5 -10.403 3.656 -4.140 1.00 0.00 C ATOM 73 C LYS A 5 -11.530 3.260 -5.068 1.00 0.00 C ATOM 74 O LYS A 5 -11.402 3.339 -6.288 1.00 0.00 O ATOM 75 CB LYS A 5 -10.252 5.175 -4.116 1.00 0.00 C ATOM 76 CG LYS A 5 -11.241 5.869 -3.194 1.00 0.00 C ATOM 77 CD LYS A 5 -11.836 7.104 -3.844 1.00 0.00 C ATOM 78 CE LYS A 5 -13.276 7.323 -3.408 1.00 0.00 C ATOM 79 NZ LYS A 5 -13.431 8.555 -2.590 1.00 0.00 N ATOM 0 H LYS A 5 -8.733 3.400 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.646 3.315 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.238 5.426 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.379 5.561 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.039 5.176 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.741 6.150 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.239 7.978 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.794 7.002 -4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.915 7.390 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.615 6.461 -2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.428 8.666 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.842 8.481 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.132 9.381 -3.147 1.00 0.00 H new ATOM 93 N ILE A 6 -12.625 2.818 -4.488 1.00 0.00 N ATOM 94 CA ILE A 6 -13.802 2.490 -5.259 1.00 0.00 C ATOM 95 C ILE A 6 -14.724 3.701 -5.287 1.00 0.00 C ATOM 96 O ILE A 6 -15.056 4.263 -4.244 1.00 0.00 O ATOM 97 CB ILE A 6 -14.540 1.275 -4.669 1.00 0.00 C ATOM 98 CG1 ILE A 6 -13.544 0.176 -4.273 1.00 0.00 C ATOM 99 CG2 ILE A 6 -15.567 0.739 -5.659 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.758 -0.394 -5.437 1.00 0.00 C ATOM 0 H ILE A 6 -12.724 2.678 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.497 2.227 -6.272 1.00 0.00 H new ATOM 0 HB ILE A 6 -15.067 1.597 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.846 0.580 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.087 -0.633 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.078 -0.120 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.295 1.518 -5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.063 0.435 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.077 -1.164 -5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.446 -0.830 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.185 0.402 -5.914 1.00 0.00 H new ATOM 112 N THR A 7 -15.110 4.118 -6.478 1.00 0.00 N ATOM 113 CA THR A 7 -15.876 5.338 -6.640 1.00 0.00 C ATOM 114 C THR A 7 -17.282 5.045 -7.132 1.00 0.00 C ATOM 115 O THR A 7 -17.498 4.146 -7.958 1.00 0.00 O ATOM 116 CB THR A 7 -15.167 6.302 -7.604 1.00 0.00 C ATOM 117 OG1 THR A 7 -13.845 5.813 -7.871 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.085 7.697 -7.012 1.00 0.00 C ATOM 0 H THR A 7 -14.905 3.628 -7.349 1.00 0.00 H new ATOM 0 HA THR A 7 -15.950 5.813 -5.662 1.00 0.00 H new ATOM 0 HB THR A 7 -15.740 6.357 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.185 6.446 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.579 8.361 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.091 8.071 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.526 7.663 -6.077 1.00 0.00 H new ATOM 126 N GLY A 8 -18.232 5.808 -6.609 1.00 0.00 N ATOM 127 CA GLY A 8 -19.626 5.550 -6.870 1.00 0.00 C ATOM 128 C GLY A 8 -20.151 4.479 -5.943 1.00 0.00 C ATOM 129 O GLY A 8 -21.025 4.731 -5.113 1.00 0.00 O ATOM 0 H GLY A 8 -18.055 6.609 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.202 6.466 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.756 5.237 -7.906 1.00 0.00 H new ATOM 133 N MET A 9 -19.591 3.286 -6.072 1.00 0.00 N ATOM 134 CA MET A 9 -19.976 2.163 -5.230 1.00 0.00 C ATOM 135 C MET A 9 -19.134 2.150 -3.963 1.00 0.00 C ATOM 136 O MET A 9 -17.949 1.836 -4.002 1.00 0.00 O ATOM 137 CB MET A 9 -19.849 0.847 -5.993 1.00 0.00 C ATOM 138 CG MET A 9 -20.214 0.990 -7.452 1.00 0.00 C ATOM 139 SD MET A 9 -21.693 0.066 -7.907 1.00 0.00 S ATOM 140 CE MET A 9 -22.979 1.207 -7.395 1.00 0.00 C ATOM 0 H MET A 9 -18.865 3.070 -6.755 1.00 0.00 H new ATOM 0 HA MET A 9 -21.022 2.278 -4.945 1.00 0.00 H new ATOM 0 HB2 MET A 9 -18.826 0.480 -5.911 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.494 0.099 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 9 -20.368 2.045 -7.680 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.378 0.650 -8.064 1.00 0.00 H new ATOM 0 HE1 MET A 9 -23.956 0.775 -7.612 1.00 0.00 H new ATOM 0 HE2 MET A 9 -22.895 1.394 -6.324 1.00 0.00 H new ATOM 0 HE3 MET A 9 -22.869 2.146 -7.937 1.00 0.00 H new ATOM 150 N THR A 10 -19.745 2.490 -2.845 1.00 0.00 N ATOM 151 CA THR A 10 -19.012 2.675 -1.604 1.00 0.00 C ATOM 152 C THR A 10 -19.488 1.718 -0.518 1.00 0.00 C ATOM 153 O THR A 10 -19.559 2.081 0.657 1.00 0.00 O ATOM 154 CB THR A 10 -19.153 4.115 -1.099 1.00 0.00 C ATOM 155 OG1 THR A 10 -19.610 4.960 -2.165 1.00 0.00 O ATOM 156 CG2 THR A 10 -17.827 4.632 -0.564 1.00 0.00 C ATOM 0 H THR A 10 -20.750 2.645 -2.769 1.00 0.00 H new ATOM 0 HA THR A 10 -17.965 2.463 -1.821 1.00 0.00 H new ATOM 0 HB THR A 10 -19.880 4.127 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 10 -19.701 5.879 -1.838 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.951 5.656 -0.211 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.497 4.001 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.081 4.610 -1.358 1.00 0.00 H new ATOM 164 N CYS A 11 -19.807 0.493 -0.902 1.00 0.00 N ATOM 165 CA CYS A 11 -20.342 -0.470 0.049 1.00 0.00 C ATOM 166 C CYS A 11 -19.981 -1.905 -0.330 1.00 0.00 C ATOM 167 O CYS A 11 -19.707 -2.207 -1.492 1.00 0.00 O ATOM 168 CB CYS A 11 -21.859 -0.321 0.140 1.00 0.00 C ATOM 169 SG CYS A 11 -22.711 -0.545 -1.440 1.00 0.00 S ATOM 0 H CYS A 11 -19.707 0.143 -1.855 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.893 -0.262 1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -22.244 -1.047 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -22.095 0.668 0.532 1.00 0.00 H new ATOM 0 HG CYS A 11 -23.992 -0.403 -1.266 1.00 0.00 H new ATOM 175 N ASP A 12 -19.981 -2.768 0.685 1.00 0.00 N ATOM 176 CA ASP A 12 -19.613 -4.183 0.564 1.00 0.00 C ATOM 177 C ASP A 12 -20.353 -4.883 -0.573 1.00 0.00 C ATOM 178 O ASP A 12 -19.746 -5.617 -1.349 1.00 0.00 O ATOM 179 CB ASP A 12 -19.903 -4.893 1.896 1.00 0.00 C ATOM 180 CG ASP A 12 -19.959 -6.405 1.780 1.00 0.00 C ATOM 181 OD1 ASP A 12 -21.057 -6.941 1.523 1.00 0.00 O ATOM 182 OD2 ASP A 12 -18.899 -7.056 1.915 1.00 0.00 O ATOM 0 H ASP A 12 -20.242 -2.501 1.634 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.550 -4.234 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.133 -4.621 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.853 -4.532 2.291 1.00 0.00 H new ATOM 187 N SER A 13 -21.655 -4.638 -0.673 1.00 0.00 N ATOM 188 CA SER A 13 -22.487 -5.276 -1.692 1.00 0.00 C ATOM 189 C SER A 13 -21.943 -5.034 -3.101 1.00 0.00 C ATOM 190 O SER A 13 -22.062 -5.890 -3.980 1.00 0.00 O ATOM 191 CB SER A 13 -23.919 -4.757 -1.576 1.00 0.00 C ATOM 192 OG SER A 13 -24.265 -4.574 -0.213 1.00 0.00 O ATOM 0 H SER A 13 -22.161 -4.000 -0.059 1.00 0.00 H new ATOM 0 HA SER A 13 -22.472 -6.352 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 13 -24.016 -3.814 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.608 -5.462 -2.042 1.00 0.00 H new ATOM 0 HG SER A 13 -25.184 -4.240 -0.151 1.00 0.00 H new ATOM 198 N CYS A 14 -21.332 -3.880 -3.300 1.00 0.00 N ATOM 199 CA CYS A 14 -20.745 -3.534 -4.584 1.00 0.00 C ATOM 200 C CYS A 14 -19.275 -3.941 -4.627 1.00 0.00 C ATOM 201 O CYS A 14 -18.771 -4.406 -5.650 1.00 0.00 O ATOM 202 CB CYS A 14 -20.890 -2.033 -4.822 1.00 0.00 C ATOM 203 SG CYS A 14 -22.606 -1.487 -4.985 1.00 0.00 S ATOM 0 H CYS A 14 -21.229 -3.161 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 14 -21.269 -4.074 -5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.424 -1.496 -3.996 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.344 -1.763 -5.726 1.00 0.00 H new ATOM 0 HG CYS A 14 -23.040 -1.069 -3.833 1.00 0.00 H new ATOM 209 N ALA A 15 -18.605 -3.782 -3.492 1.00 0.00 N ATOM 210 CA ALA A 15 -17.185 -4.085 -3.371 1.00 0.00 C ATOM 211 C ALA A 15 -16.905 -5.571 -3.571 1.00 0.00 C ATOM 212 O ALA A 15 -15.818 -5.949 -4.006 1.00 0.00 O ATOM 213 CB ALA A 15 -16.672 -3.630 -2.014 1.00 0.00 C ATOM 0 H ALA A 15 -19.031 -3.440 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.659 -3.544 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.610 -3.860 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.820 -2.555 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.218 -4.149 -1.226 1.00 0.00 H new ATOM 219 N ALA A 16 -17.891 -6.405 -3.263 1.00 0.00 N ATOM 220 CA ALA A 16 -17.748 -7.850 -3.403 1.00 0.00 C ATOM 221 C ALA A 16 -17.445 -8.230 -4.847 1.00 0.00 C ATOM 222 O ALA A 16 -16.538 -9.019 -5.117 1.00 0.00 O ATOM 223 CB ALA A 16 -19.008 -8.556 -2.920 1.00 0.00 C ATOM 0 H ALA A 16 -18.801 -6.105 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.909 -8.171 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.886 -9.634 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.180 -8.316 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.861 -8.224 -3.512 1.00 0.00 H new ATOM 229 N HIS A 17 -18.191 -7.641 -5.773 1.00 0.00 N ATOM 230 CA HIS A 17 -18.010 -7.921 -7.191 1.00 0.00 C ATOM 231 C HIS A 17 -16.664 -7.402 -7.672 1.00 0.00 C ATOM 232 O HIS A 17 -15.998 -8.038 -8.489 1.00 0.00 O ATOM 233 CB HIS A 17 -19.133 -7.288 -8.008 1.00 0.00 C ATOM 234 CG HIS A 17 -19.474 -8.062 -9.240 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.605 -7.477 -10.477 1.00 0.00 N ATOM 236 CD2 HIS A 17 -19.703 -9.385 -9.424 1.00 0.00 C ATOM 237 CE1 HIS A 17 -19.896 -8.404 -11.370 1.00 0.00 C ATOM 238 NE2 HIS A 17 -19.961 -9.571 -10.758 1.00 0.00 N ATOM 0 H HIS A 17 -18.927 -6.966 -5.567 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.039 -9.002 -7.330 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -20.022 -7.201 -7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.842 -6.277 -8.291 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -19.495 -6.482 -10.674 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -19.686 -10.150 -8.662 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.054 -8.236 -12.425 1.00 0.00 H new ATOM 247 N VAL A 18 -16.269 -6.243 -7.156 1.00 0.00 N ATOM 248 CA VAL A 18 -14.977 -5.661 -7.482 1.00 0.00 C ATOM 249 C VAL A 18 -13.856 -6.577 -6.999 1.00 0.00 C ATOM 250 O VAL A 18 -12.902 -6.845 -7.726 1.00 0.00 O ATOM 251 CB VAL A 18 -14.813 -4.261 -6.849 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.470 -3.647 -7.222 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.957 -3.347 -7.266 1.00 0.00 C ATOM 0 H VAL A 18 -16.829 -5.688 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.922 -5.553 -8.565 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.841 -4.375 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.380 -2.662 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.665 -4.289 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.403 -3.550 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.824 -2.366 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.964 -3.245 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.904 -3.775 -6.936 1.00 0.00 H new ATOM 263 N LYS A 19 -13.998 -7.068 -5.774 1.00 0.00 N ATOM 264 CA LYS A 19 -13.031 -7.988 -5.194 1.00 0.00 C ATOM 265 C LYS A 19 -12.956 -9.272 -6.008 1.00 0.00 C ATOM 266 O LYS A 19 -11.871 -9.780 -6.282 1.00 0.00 O ATOM 267 CB LYS A 19 -13.412 -8.308 -3.746 1.00 0.00 C ATOM 268 CG LYS A 19 -12.424 -9.222 -3.040 1.00 0.00 C ATOM 269 CD LYS A 19 -13.135 -10.216 -2.140 1.00 0.00 C ATOM 270 CE LYS A 19 -12.242 -10.680 -1.006 1.00 0.00 C ATOM 271 NZ LYS A 19 -11.879 -12.114 -1.138 1.00 0.00 N ATOM 0 H LYS A 19 -14.780 -6.841 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.051 -7.511 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.494 -7.376 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.397 -8.774 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.830 -9.759 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.731 -8.624 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.035 -9.758 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.454 -11.077 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.335 -10.076 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.750 -10.520 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.892 -12.251 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.505 -12.687 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.985 -12.409 -2.130 1.00 0.00 H new ATOM 285 N GLU A 20 -14.114 -9.784 -6.397 1.00 0.00 N ATOM 286 CA GLU A 20 -14.184 -10.999 -7.195 1.00 0.00 C ATOM 287 C GLU A 20 -13.502 -10.795 -8.544 1.00 0.00 C ATOM 288 O GLU A 20 -12.740 -11.654 -9.006 1.00 0.00 O ATOM 289 CB GLU A 20 -15.648 -11.418 -7.371 1.00 0.00 C ATOM 290 CG GLU A 20 -15.918 -12.271 -8.599 1.00 0.00 C ATOM 291 CD GLU A 20 -17.338 -12.120 -9.100 1.00 0.00 C ATOM 292 OE1 GLU A 20 -18.278 -12.271 -8.292 1.00 0.00 O ATOM 293 OE2 GLU A 20 -17.521 -11.848 -10.307 1.00 0.00 O ATOM 0 H GLU A 20 -15.021 -9.375 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.655 -11.799 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.964 -11.969 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.265 -10.521 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.224 -11.993 -9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.728 -13.318 -8.361 1.00 0.00 H new ATOM 300 N ALA A 21 -13.752 -9.644 -9.154 1.00 0.00 N ATOM 301 CA ALA A 21 -13.136 -9.311 -10.427 1.00 0.00 C ATOM 302 C ALA A 21 -11.628 -9.205 -10.267 1.00 0.00 C ATOM 303 O ALA A 21 -10.868 -9.610 -11.143 1.00 0.00 O ATOM 304 CB ALA A 21 -13.709 -8.015 -10.973 1.00 0.00 C ATOM 0 H ALA A 21 -14.377 -8.927 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.355 -10.106 -11.140 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.236 -7.781 -11.927 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.784 -8.125 -11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.519 -7.207 -10.266 1.00 0.00 H new ATOM 310 N LEU A 22 -11.205 -8.667 -9.131 1.00 0.00 N ATOM 311 CA LEU A 22 -9.790 -8.542 -8.823 1.00 0.00 C ATOM 312 C LEU A 22 -9.169 -9.916 -8.618 1.00 0.00 C ATOM 313 O LEU A 22 -8.088 -10.201 -9.122 1.00 0.00 O ATOM 314 CB LEU A 22 -9.583 -7.677 -7.579 1.00 0.00 C ATOM 315 CG LEU A 22 -9.540 -6.169 -7.840 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.959 -5.399 -6.599 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.149 -5.745 -8.287 1.00 0.00 C ATOM 0 H LEU A 22 -11.826 -8.309 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.298 -8.057 -9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.386 -7.886 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.651 -7.974 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.244 -5.939 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.922 -4.329 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.975 -5.680 -6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.281 -5.634 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.137 -4.670 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.426 -5.990 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.886 -6.271 -9.205 1.00 0.00 H new ATOM 329 N GLU A 23 -9.872 -10.768 -7.886 1.00 0.00 N ATOM 330 CA GLU A 23 -9.386 -12.106 -7.588 1.00 0.00 C ATOM 331 C GLU A 23 -9.365 -12.972 -8.841 1.00 0.00 C ATOM 332 O GLU A 23 -8.613 -13.945 -8.923 1.00 0.00 O ATOM 333 CB GLU A 23 -10.254 -12.755 -6.519 1.00 0.00 C ATOM 334 CG GLU A 23 -9.904 -12.310 -5.111 1.00 0.00 C ATOM 335 CD GLU A 23 -10.492 -13.217 -4.056 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.641 -12.980 -3.630 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.809 -14.178 -3.646 1.00 0.00 O ATOM 0 H GLU A 23 -10.786 -10.554 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.365 -12.020 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.300 -12.520 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.152 -13.838 -6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.820 -12.284 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.265 -11.294 -4.954 1.00 0.00 H new ATOM 344 N LYS A 24 -10.185 -12.607 -9.822 1.00 0.00 N ATOM 345 CA LYS A 24 -10.210 -13.323 -11.090 1.00 0.00 C ATOM 346 C LYS A 24 -8.967 -12.969 -11.903 1.00 0.00 C ATOM 347 O LYS A 24 -8.551 -13.714 -12.793 1.00 0.00 O ATOM 348 CB LYS A 24 -11.501 -12.998 -11.860 1.00 0.00 C ATOM 349 CG LYS A 24 -11.310 -12.115 -13.085 1.00 0.00 C ATOM 350 CD LYS A 24 -12.644 -11.640 -13.641 1.00 0.00 C ATOM 351 CE LYS A 24 -12.456 -10.565 -14.699 1.00 0.00 C ATOM 352 NZ LYS A 24 -12.217 -11.144 -16.048 1.00 0.00 N ATOM 0 H LYS A 24 -10.837 -11.824 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.201 -14.397 -10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.966 -13.933 -12.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.198 -12.507 -11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.696 -11.253 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.770 -12.668 -13.853 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.182 -12.485 -14.071 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.259 -11.250 -12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.340 -9.928 -14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.615 -9.929 -14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.094 -10.376 -16.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.359 -11.731 -16.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.031 -11.730 -16.323 1.00 0.00 H new ATOM 366 N VAL A 25 -8.362 -11.843 -11.554 1.00 0.00 N ATOM 367 CA VAL A 25 -7.128 -11.404 -12.176 1.00 0.00 C ATOM 368 C VAL A 25 -5.938 -12.063 -11.478 1.00 0.00 C ATOM 369 O VAL A 25 -5.708 -11.846 -10.288 1.00 0.00 O ATOM 370 CB VAL A 25 -6.993 -9.865 -12.118 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.601 -9.413 -12.544 1.00 0.00 C ATOM 372 CG2 VAL A 25 -8.054 -9.209 -12.987 1.00 0.00 C ATOM 0 H VAL A 25 -8.714 -11.212 -10.834 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.145 -11.701 -13.225 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.142 -9.554 -11.084 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.540 -8.326 -12.492 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.857 -9.851 -11.879 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.410 -9.739 -13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.947 -8.125 -12.936 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.933 -9.538 -14.019 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.044 -9.493 -12.629 1.00 0.00 H new ATOM 382 N PRO A 26 -5.171 -12.881 -12.216 1.00 0.00 N ATOM 383 CA PRO A 26 -4.055 -13.657 -11.656 1.00 0.00 C ATOM 384 C PRO A 26 -2.955 -12.783 -11.058 1.00 0.00 C ATOM 385 O PRO A 26 -2.178 -13.236 -10.219 1.00 0.00 O ATOM 386 CB PRO A 26 -3.518 -14.438 -12.859 1.00 0.00 C ATOM 387 CG PRO A 26 -4.628 -14.435 -13.851 1.00 0.00 C ATOM 388 CD PRO A 26 -5.338 -13.129 -13.656 1.00 0.00 C ATOM 0 HA PRO A 26 -4.387 -14.286 -10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.624 -13.967 -13.267 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.243 -15.455 -12.578 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.246 -14.525 -14.868 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.302 -15.276 -13.688 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.896 -12.334 -14.257 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.389 -13.194 -13.936 1.00 0.00 H new ATOM 396 N GLY A 27 -2.900 -11.527 -11.483 1.00 0.00 N ATOM 397 CA GLY A 27 -1.892 -10.613 -10.977 1.00 0.00 C ATOM 398 C GLY A 27 -2.154 -10.203 -9.541 1.00 0.00 C ATOM 399 O GLY A 27 -1.293 -9.615 -8.885 1.00 0.00 O ATOM 0 H GLY A 27 -3.536 -11.124 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.911 -11.084 -11.045 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.863 -9.724 -11.607 1.00 0.00 H new ATOM 403 N VAL A 28 -3.344 -10.512 -9.045 1.00 0.00 N ATOM 404 CA VAL A 28 -3.709 -10.188 -7.680 1.00 0.00 C ATOM 405 C VAL A 28 -3.447 -11.378 -6.762 1.00 0.00 C ATOM 406 O VAL A 28 -4.045 -12.444 -6.919 1.00 0.00 O ATOM 407 CB VAL A 28 -5.191 -9.774 -7.587 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.607 -9.537 -6.143 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.447 -8.534 -8.428 1.00 0.00 C ATOM 0 H VAL A 28 -4.074 -10.989 -9.574 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.094 -9.347 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.796 -10.592 -7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.657 -9.246 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.466 -10.453 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.997 -8.742 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.498 -8.254 -8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.826 -7.715 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.201 -8.743 -9.469 1.00 0.00 H new ATOM 419 N GLN A 29 -2.534 -11.193 -5.815 1.00 0.00 N ATOM 420 CA GLN A 29 -2.208 -12.236 -4.853 1.00 0.00 C ATOM 421 C GLN A 29 -3.255 -12.272 -3.745 1.00 0.00 C ATOM 422 O GLN A 29 -3.668 -13.344 -3.299 1.00 0.00 O ATOM 423 CB GLN A 29 -0.816 -11.998 -4.258 1.00 0.00 C ATOM 424 CG GLN A 29 0.058 -13.240 -4.223 1.00 0.00 C ATOM 425 CD GLN A 29 0.466 -13.616 -2.813 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.230 -12.905 -2.162 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.044 -14.733 -2.334 1.00 0.00 N ATOM 0 H GLN A 29 -2.006 -10.328 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.206 -13.197 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.311 -11.226 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.926 -11.614 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.479 -14.072 -4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.951 -13.070 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.674 -15.293 -2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.191 -15.037 -1.389 1.00 0.00 H new ATOM 436 N SER A 30 -3.688 -11.092 -3.318 1.00 0.00 N ATOM 437 CA SER A 30 -4.713 -10.969 -2.288 1.00 0.00 C ATOM 438 C SER A 30 -5.467 -9.650 -2.446 1.00 0.00 C ATOM 439 O SER A 30 -4.862 -8.606 -2.701 1.00 0.00 O ATOM 440 CB SER A 30 -4.089 -11.048 -0.888 1.00 0.00 C ATOM 441 OG SER A 30 -2.671 -11.149 -0.953 1.00 0.00 O ATOM 0 H SER A 30 -3.342 -10.200 -3.672 1.00 0.00 H new ATOM 0 HA SER A 30 -5.413 -11.796 -2.404 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.366 -10.163 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.492 -11.910 -0.357 1.00 0.00 H new ATOM 0 HG SER A 30 -2.304 -11.196 -0.045 1.00 0.00 H new ATOM 447 N ALA A 31 -6.788 -9.706 -2.320 1.00 0.00 N ATOM 448 CA ALA A 31 -7.617 -8.516 -2.448 1.00 0.00 C ATOM 449 C ALA A 31 -8.527 -8.352 -1.237 1.00 0.00 C ATOM 450 O ALA A 31 -9.523 -9.060 -1.099 1.00 0.00 O ATOM 451 CB ALA A 31 -8.443 -8.577 -3.724 1.00 0.00 C ATOM 0 H ALA A 31 -7.307 -10.563 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.957 -7.650 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.057 -7.680 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.778 -8.639 -4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.087 -9.456 -3.699 1.00 0.00 H new ATOM 457 N LEU A 32 -8.177 -7.421 -0.361 1.00 0.00 N ATOM 458 CA LEU A 32 -8.970 -7.156 0.832 1.00 0.00 C ATOM 459 C LEU A 32 -9.680 -5.813 0.713 1.00 0.00 C ATOM 460 O LEU A 32 -9.097 -4.764 0.984 1.00 0.00 O ATOM 461 CB LEU A 32 -8.078 -7.167 2.078 1.00 0.00 C ATOM 462 CG LEU A 32 -7.356 -8.489 2.351 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.887 -8.386 1.967 1.00 0.00 C ATOM 464 CD2 LEU A 32 -7.498 -8.879 3.814 1.00 0.00 C ATOM 0 H LEU A 32 -7.347 -6.835 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.720 -7.942 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.332 -6.378 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.690 -6.920 2.946 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.816 -9.265 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.391 -9.335 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.804 -8.151 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.413 -7.598 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.979 -9.821 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.063 -8.101 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.554 -8.995 4.059 1.00 0.00 H new ATOM 476 N VAL A 33 -10.938 -5.846 0.311 1.00 0.00 N ATOM 477 CA VAL A 33 -11.699 -4.622 0.113 1.00 0.00 C ATOM 478 C VAL A 33 -12.462 -4.256 1.382 1.00 0.00 C ATOM 479 O VAL A 33 -13.154 -5.090 1.966 1.00 0.00 O ATOM 480 CB VAL A 33 -12.685 -4.748 -1.067 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.206 -3.379 -1.480 1.00 0.00 C ATOM 482 CG2 VAL A 33 -12.026 -5.449 -2.248 1.00 0.00 C ATOM 0 H VAL A 33 -11.454 -6.704 0.115 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.986 -3.832 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.531 -5.352 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.900 -3.490 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.721 -2.917 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.371 -2.749 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.739 -5.527 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.159 -4.875 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.708 -6.447 -1.947 1.00 0.00 H new ATOM 492 N SER A 34 -12.312 -3.011 1.809 1.00 0.00 N ATOM 493 CA SER A 34 -12.932 -2.528 3.030 1.00 0.00 C ATOM 494 C SER A 34 -14.230 -1.777 2.733 1.00 0.00 C ATOM 495 O SER A 34 -14.209 -0.692 2.145 1.00 0.00 O ATOM 496 CB SER A 34 -11.955 -1.609 3.773 1.00 0.00 C ATOM 497 OG SER A 34 -10.772 -1.402 3.014 1.00 0.00 O ATOM 0 H SER A 34 -11.758 -2.309 1.318 1.00 0.00 H new ATOM 0 HA SER A 34 -13.176 -3.388 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.434 -0.651 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.700 -2.048 4.738 1.00 0.00 H new ATOM 0 HG SER A 34 -10.761 -0.485 2.669 1.00 0.00 H new ATOM 503 N TYR A 35 -15.353 -2.372 3.140 1.00 0.00 N ATOM 504 CA TYR A 35 -16.675 -1.745 3.023 1.00 0.00 C ATOM 505 C TYR A 35 -16.713 -0.362 3.697 1.00 0.00 C ATOM 506 O TYR A 35 -17.113 0.613 3.063 1.00 0.00 O ATOM 507 CB TYR A 35 -17.751 -2.677 3.618 1.00 0.00 C ATOM 508 CG TYR A 35 -18.973 -1.974 4.193 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.804 -1.215 3.379 1.00 0.00 C ATOM 510 CD2 TYR A 35 -19.290 -2.066 5.543 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.915 -0.571 3.894 1.00 0.00 C ATOM 512 CE2 TYR A 35 -20.399 -1.425 6.065 1.00 0.00 C ATOM 513 CZ TYR A 35 -21.209 -0.695 5.254 1.00 0.00 C ATOM 514 OH TYR A 35 -22.316 -0.041 5.748 1.00 0.00 O ATOM 0 H TYR A 35 -15.374 -3.301 3.560 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.884 -1.590 1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.081 -3.367 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.294 -3.277 4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.579 -1.126 2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.658 -2.649 6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.549 0.022 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -20.622 -1.505 7.119 1.00 0.00 H new ATOM 0 HH TYR A 35 -22.399 -0.217 6.708 1.00 0.00 H new ATOM 524 N PRO A 36 -16.300 -0.243 4.984 1.00 0.00 N ATOM 525 CA PRO A 36 -16.366 1.031 5.719 1.00 0.00 C ATOM 526 C PRO A 36 -15.563 2.151 5.059 1.00 0.00 C ATOM 527 O PRO A 36 -15.949 3.319 5.115 1.00 0.00 O ATOM 528 CB PRO A 36 -15.775 0.696 7.094 1.00 0.00 C ATOM 529 CG PRO A 36 -15.023 -0.572 6.900 1.00 0.00 C ATOM 530 CD PRO A 36 -15.758 -1.321 5.835 1.00 0.00 C ATOM 0 HA PRO A 36 -17.389 1.406 5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.119 1.493 7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.560 0.577 7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.994 -0.375 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.981 -1.147 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.095 -1.982 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.550 -1.943 6.252 1.00 0.00 H new ATOM 538 N LYS A 37 -14.461 1.793 4.419 1.00 0.00 N ATOM 539 CA LYS A 37 -13.576 2.786 3.837 1.00 0.00 C ATOM 540 C LYS A 37 -13.890 2.997 2.364 1.00 0.00 C ATOM 541 O LYS A 37 -13.601 4.055 1.803 1.00 0.00 O ATOM 542 CB LYS A 37 -12.121 2.355 4.010 1.00 0.00 C ATOM 543 CG LYS A 37 -11.422 3.028 5.177 1.00 0.00 C ATOM 544 CD LYS A 37 -11.196 4.506 4.910 1.00 0.00 C ATOM 545 CE LYS A 37 -11.996 5.374 5.866 1.00 0.00 C ATOM 546 NZ LYS A 37 -11.130 6.325 6.607 1.00 0.00 N ATOM 0 H LYS A 37 -14.160 0.827 4.290 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.732 3.732 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.085 1.275 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.574 2.576 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.020 2.907 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.465 2.539 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.135 4.736 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.478 4.738 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.750 5.929 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.527 4.739 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.714 6.899 7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.426 5.795 7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.642 6.948 5.932 1.00 0.00 H new ATOM 560 N GLY A 38 -14.497 1.992 1.748 1.00 0.00 N ATOM 561 CA GLY A 38 -14.766 2.043 0.327 1.00 0.00 C ATOM 562 C GLY A 38 -13.493 1.889 -0.476 1.00 0.00 C ATOM 563 O GLY A 38 -13.398 2.361 -1.612 1.00 0.00 O ATOM 0 H GLY A 38 -14.809 1.138 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.467 1.253 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.244 2.991 0.078 1.00 0.00 H new ATOM 567 N THR A 39 -12.509 1.228 0.117 1.00 0.00 N ATOM 568 CA THR A 39 -11.210 1.079 -0.520 1.00 0.00 C ATOM 569 C THR A 39 -10.817 -0.388 -0.627 1.00 0.00 C ATOM 570 O THR A 39 -11.236 -1.213 0.178 1.00 0.00 O ATOM 571 CB THR A 39 -10.111 1.844 0.246 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.240 1.625 1.657 1.00 0.00 O ATOM 573 CG2 THR A 39 -10.187 3.337 -0.049 1.00 0.00 C ATOM 0 H THR A 39 -12.585 0.788 1.034 1.00 0.00 H new ATOM 0 HA THR A 39 -11.300 1.502 -1.521 1.00 0.00 H new ATOM 0 HB THR A 39 -9.144 1.468 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.769 2.334 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.403 3.857 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.052 3.504 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.161 3.719 0.258 1.00 0.00 H new ATOM 581 N ALA A 40 -10.015 -0.703 -1.627 1.00 0.00 N ATOM 582 CA ALA A 40 -9.546 -2.059 -1.832 1.00 0.00 C ATOM 583 C ALA A 40 -8.062 -2.162 -1.513 1.00 0.00 C ATOM 584 O ALA A 40 -7.230 -1.544 -2.177 1.00 0.00 O ATOM 585 CB ALA A 40 -9.817 -2.503 -3.262 1.00 0.00 C ATOM 0 H ALA A 40 -9.673 -0.032 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.089 -2.720 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.459 -3.523 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.889 -2.465 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.298 -1.840 -3.954 1.00 0.00 H new ATOM 591 N GLN A 41 -7.736 -2.922 -0.483 1.00 0.00 N ATOM 592 CA GLN A 41 -6.349 -3.138 -0.112 1.00 0.00 C ATOM 593 C GLN A 41 -5.805 -4.335 -0.872 1.00 0.00 C ATOM 594 O GLN A 41 -5.958 -5.482 -0.446 1.00 0.00 O ATOM 595 CB GLN A 41 -6.221 -3.354 1.398 1.00 0.00 C ATOM 596 CG GLN A 41 -6.783 -2.209 2.223 1.00 0.00 C ATOM 597 CD GLN A 41 -7.418 -2.670 3.519 1.00 0.00 C ATOM 598 OE1 GLN A 41 -6.965 -2.318 4.606 1.00 0.00 O ATOM 599 NE2 GLN A 41 -8.472 -3.464 3.414 1.00 0.00 N ATOM 0 H GLN A 41 -8.413 -3.400 0.112 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.767 -2.254 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.736 -4.275 1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.169 -3.491 1.650 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.983 -1.503 2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.525 -1.672 1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.818 -3.734 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.938 -3.806 4.254 1.00 0.00 H new ATOM 608 N LEU A 42 -5.196 -4.066 -2.011 1.00 0.00 N ATOM 609 CA LEU A 42 -4.734 -5.123 -2.890 1.00 0.00 C ATOM 610 C LEU A 42 -3.251 -5.397 -2.700 1.00 0.00 C ATOM 611 O LEU A 42 -2.443 -4.479 -2.525 1.00 0.00 O ATOM 612 CB LEU A 42 -5.008 -4.767 -4.356 1.00 0.00 C ATOM 613 CG LEU A 42 -5.486 -3.335 -4.610 1.00 0.00 C ATOM 614 CD1 LEU A 42 -4.368 -2.503 -5.218 1.00 0.00 C ATOM 615 CD2 LEU A 42 -6.705 -3.338 -5.518 1.00 0.00 C ATOM 0 H LEU A 42 -5.009 -3.122 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.287 -6.026 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.095 -4.933 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.758 -5.456 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.768 -2.888 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.724 -1.488 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.520 -2.478 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.058 -2.946 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.033 -2.313 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.448 -3.801 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.509 -3.902 -5.046 1.00 0.00 H new ATOM 627 N ALA A 43 -2.909 -6.672 -2.712 1.00 0.00 N ATOM 628 CA ALA A 43 -1.526 -7.104 -2.738 1.00 0.00 C ATOM 629 C ALA A 43 -1.253 -7.781 -4.073 1.00 0.00 C ATOM 630 O ALA A 43 -1.399 -8.996 -4.211 1.00 0.00 O ATOM 631 CB ALA A 43 -1.229 -8.042 -1.575 1.00 0.00 C ATOM 0 H ALA A 43 -3.584 -7.437 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.869 -6.241 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.185 -8.353 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.417 -7.526 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.872 -8.920 -1.642 1.00 0.00 H new ATOM 637 N ILE A 44 -0.898 -6.982 -5.062 1.00 0.00 N ATOM 638 CA ILE A 44 -0.705 -7.477 -6.417 1.00 0.00 C ATOM 639 C ILE A 44 0.749 -7.850 -6.663 1.00 0.00 C ATOM 640 O ILE A 44 1.628 -7.516 -5.868 1.00 0.00 O ATOM 641 CB ILE A 44 -1.143 -6.434 -7.465 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.541 -5.063 -7.142 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.661 -6.352 -7.524 1.00 0.00 C ATOM 644 CD1 ILE A 44 -0.426 -4.154 -8.347 1.00 0.00 C ATOM 0 H ILE A 44 -0.736 -5.981 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.327 -8.366 -6.520 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.775 -6.747 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.155 -4.574 -6.386 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.449 -5.203 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.957 -5.612 -8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.068 -7.325 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.048 -6.060 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.008 -3.201 -8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.213 -4.622 -9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.416 -3.983 -8.770 1.00 0.00 H new ATOM 656 N VAL A 45 0.986 -8.571 -7.744 1.00 0.00 N ATOM 657 CA VAL A 45 2.337 -8.914 -8.156 1.00 0.00 C ATOM 658 C VAL A 45 2.921 -7.793 -9.008 1.00 0.00 C ATOM 659 O VAL A 45 2.330 -7.412 -10.023 1.00 0.00 O ATOM 660 CB VAL A 45 2.364 -10.237 -8.955 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.786 -10.607 -9.350 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.725 -11.359 -8.151 1.00 0.00 C ATOM 0 H VAL A 45 0.255 -8.933 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 45 2.938 -9.045 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 45 1.787 -10.092 -9.868 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.776 -11.542 -9.911 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.209 -9.816 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.393 -10.729 -8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.753 -12.283 -8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.274 -11.497 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.690 -11.102 -7.927 1.00 0.00 H new ATOM 672 N PRO A 46 4.065 -7.227 -8.585 1.00 0.00 N ATOM 673 CA PRO A 46 4.774 -6.190 -9.343 1.00 0.00 C ATOM 674 C PRO A 46 4.954 -6.572 -10.810 1.00 0.00 C ATOM 675 O PRO A 46 5.680 -7.515 -11.140 1.00 0.00 O ATOM 676 CB PRO A 46 6.124 -6.102 -8.635 1.00 0.00 C ATOM 677 CG PRO A 46 5.836 -6.508 -7.235 1.00 0.00 C ATOM 678 CD PRO A 46 4.750 -7.544 -7.317 1.00 0.00 C ATOM 0 HA PRO A 46 4.229 -5.246 -9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.858 -6.762 -9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.531 -5.092 -8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.727 -6.914 -6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.515 -5.653 -6.639 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.159 -8.554 -7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.070 -7.481 -6.467 1.00 0.00 H new ATOM 686 N GLY A 47 4.283 -5.830 -11.675 1.00 0.00 N ATOM 687 CA GLY A 47 4.236 -6.154 -13.085 1.00 0.00 C ATOM 688 C GLY A 47 2.841 -5.926 -13.617 1.00 0.00 C ATOM 689 O GLY A 47 2.649 -5.443 -14.736 1.00 0.00 O ATOM 0 H GLY A 47 3.760 -4.993 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.949 -5.538 -13.633 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.528 -7.193 -13.239 1.00 0.00 H new ATOM 693 N THR A 48 1.865 -6.290 -12.797 1.00 0.00 N ATOM 694 CA THR A 48 0.477 -5.962 -13.051 1.00 0.00 C ATOM 695 C THR A 48 0.246 -4.495 -12.735 1.00 0.00 C ATOM 696 O THR A 48 0.389 -4.068 -11.589 1.00 0.00 O ATOM 697 CB THR A 48 -0.467 -6.838 -12.203 1.00 0.00 C ATOM 698 OG1 THR A 48 0.248 -7.984 -11.708 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.666 -7.296 -13.021 1.00 0.00 C ATOM 0 H THR A 48 2.017 -6.820 -11.939 1.00 0.00 H new ATOM 0 HA THR A 48 0.259 -6.155 -14.101 1.00 0.00 H new ATOM 0 HB THR A 48 -0.829 -6.242 -11.366 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.864 -7.704 -10.999 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.316 -7.912 -12.400 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.219 -6.426 -13.374 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.322 -7.879 -13.876 1.00 0.00 H new ATOM 707 N SER A 49 -0.087 -3.725 -13.753 1.00 0.00 N ATOM 708 CA SER A 49 -0.203 -2.291 -13.604 1.00 0.00 C ATOM 709 C SER A 49 -1.471 -1.917 -12.841 1.00 0.00 C ATOM 710 O SER A 49 -2.572 -2.316 -13.216 1.00 0.00 O ATOM 711 CB SER A 49 -0.186 -1.636 -14.985 1.00 0.00 C ATOM 712 OG SER A 49 0.175 -2.584 -15.980 1.00 0.00 O ATOM 0 H SER A 49 -0.282 -4.071 -14.693 1.00 0.00 H new ATOM 0 HA SER A 49 0.644 -1.927 -13.023 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.168 -1.221 -15.209 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.520 -0.806 -14.992 1.00 0.00 H new ATOM 0 HG SER A 49 0.180 -2.150 -16.859 1.00 0.00 H new ATOM 718 N PRO A 50 -1.334 -1.154 -11.745 1.00 0.00 N ATOM 719 CA PRO A 50 -2.478 -0.715 -10.942 1.00 0.00 C ATOM 720 C PRO A 50 -3.402 0.208 -11.721 1.00 0.00 C ATOM 721 O PRO A 50 -4.583 0.336 -11.403 1.00 0.00 O ATOM 722 CB PRO A 50 -1.843 0.023 -9.756 1.00 0.00 C ATOM 723 CG PRO A 50 -0.409 -0.395 -9.753 1.00 0.00 C ATOM 724 CD PRO A 50 -0.056 -0.685 -11.183 1.00 0.00 C ATOM 0 HA PRO A 50 -3.103 -1.554 -10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.938 1.103 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.332 -0.244 -8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.226 0.393 -9.347 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.261 -1.276 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.311 0.203 -11.697 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.723 -1.443 -11.262 1.00 0.00 H new ATOM 732 N ASP A 51 -2.861 0.808 -12.770 1.00 0.00 N ATOM 733 CA ASP A 51 -3.637 1.665 -13.646 1.00 0.00 C ATOM 734 C ASP A 51 -4.605 0.809 -14.432 1.00 0.00 C ATOM 735 O ASP A 51 -5.666 1.262 -14.863 1.00 0.00 O ATOM 736 CB ASP A 51 -2.704 2.417 -14.597 1.00 0.00 C ATOM 737 CG ASP A 51 -3.332 3.663 -15.182 1.00 0.00 C ATOM 738 OD1 ASP A 51 -4.049 3.552 -16.197 1.00 0.00 O ATOM 739 OD2 ASP A 51 -3.085 4.764 -14.651 1.00 0.00 O ATOM 0 H ASP A 51 -1.880 0.715 -13.035 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.191 2.395 -13.056 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.795 2.692 -14.062 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.408 1.751 -15.408 1.00 0.00 H new ATOM 744 N ALA A 52 -4.237 -0.456 -14.586 1.00 0.00 N ATOM 745 CA ALA A 52 -5.057 -1.392 -15.319 1.00 0.00 C ATOM 746 C ALA A 52 -6.227 -1.827 -14.460 1.00 0.00 C ATOM 747 O ALA A 52 -7.324 -2.057 -14.955 1.00 0.00 O ATOM 748 CB ALA A 52 -4.245 -2.588 -15.785 1.00 0.00 C ATOM 0 H ALA A 52 -3.375 -0.851 -14.211 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.441 -0.897 -16.211 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.890 -3.274 -16.334 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.439 -2.249 -16.436 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.822 -3.100 -14.920 1.00 0.00 H new ATOM 754 N LEU A 53 -5.980 -1.911 -13.161 1.00 0.00 N ATOM 755 CA LEU A 53 -7.010 -2.280 -12.205 1.00 0.00 C ATOM 756 C LEU A 53 -8.029 -1.158 -12.098 1.00 0.00 C ATOM 757 O LEU A 53 -9.235 -1.400 -12.084 1.00 0.00 O ATOM 758 CB LEU A 53 -6.393 -2.574 -10.835 1.00 0.00 C ATOM 759 CG LEU A 53 -5.183 -3.515 -10.856 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.488 -3.525 -9.501 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.606 -4.925 -11.252 1.00 0.00 C ATOM 0 H LEU A 53 -5.068 -1.727 -12.744 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.509 -3.185 -12.552 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.092 -1.631 -10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.160 -3.008 -10.194 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.477 -3.148 -11.601 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.632 -4.199 -9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.148 -2.518 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.186 -3.865 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.733 -5.578 -11.261 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.334 -5.302 -10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.054 -4.905 -12.245 1.00 0.00 H new ATOM 773 N THR A 54 -7.533 0.072 -12.053 1.00 0.00 N ATOM 774 CA THR A 54 -8.393 1.241 -12.047 1.00 0.00 C ATOM 775 C THR A 54 -9.285 1.253 -13.284 1.00 0.00 C ATOM 776 O THR A 54 -10.507 1.393 -13.184 1.00 0.00 O ATOM 777 CB THR A 54 -7.558 2.537 -11.996 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.667 2.497 -10.875 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.449 3.767 -11.896 1.00 0.00 C ATOM 0 H THR A 54 -6.536 0.283 -12.020 1.00 0.00 H new ATOM 0 HA THR A 54 -9.019 1.193 -11.156 1.00 0.00 H new ATOM 0 HB THR A 54 -6.985 2.605 -12.921 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.916 1.900 -11.075 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.830 4.663 -11.862 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.105 3.812 -12.765 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.051 3.707 -10.989 1.00 0.00 H new ATOM 787 N ALA A 55 -8.669 1.078 -14.445 1.00 0.00 N ATOM 788 CA ALA A 55 -9.407 1.063 -15.698 1.00 0.00 C ATOM 789 C ALA A 55 -10.328 -0.145 -15.782 1.00 0.00 C ATOM 790 O ALA A 55 -11.393 -0.080 -16.396 1.00 0.00 O ATOM 791 CB ALA A 55 -8.451 1.098 -16.882 1.00 0.00 C ATOM 0 H ALA A 55 -7.663 0.945 -14.544 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.030 1.957 -15.732 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.021 1.086 -17.811 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.849 2.006 -16.837 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.797 0.227 -16.847 1.00 0.00 H new ATOM 797 N ALA A 56 -9.916 -1.248 -15.172 1.00 0.00 N ATOM 798 CA ALA A 56 -10.744 -2.446 -15.130 1.00 0.00 C ATOM 799 C ALA A 56 -12.009 -2.198 -14.324 1.00 0.00 C ATOM 800 O ALA A 56 -13.106 -2.505 -14.778 1.00 0.00 O ATOM 801 CB ALA A 56 -9.974 -3.625 -14.554 1.00 0.00 C ATOM 0 H ALA A 56 -9.016 -1.338 -14.701 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.026 -2.691 -16.154 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.617 -4.505 -14.535 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.101 -3.827 -15.174 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.652 -3.389 -13.540 1.00 0.00 H new ATOM 807 N VAL A 57 -11.857 -1.625 -13.134 1.00 0.00 N ATOM 808 CA VAL A 57 -13.003 -1.347 -12.281 1.00 0.00 C ATOM 809 C VAL A 57 -13.881 -0.254 -12.890 1.00 0.00 C ATOM 810 O VAL A 57 -15.108 -0.373 -12.904 1.00 0.00 O ATOM 811 CB VAL A 57 -12.577 -0.942 -10.857 1.00 0.00 C ATOM 812 CG1 VAL A 57 -13.791 -0.662 -9.979 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.711 -2.025 -10.229 1.00 0.00 C ATOM 0 H VAL A 57 -10.957 -1.346 -12.742 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.578 -2.271 -12.210 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.992 -0.025 -10.932 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.460 -0.379 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.374 0.151 -10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.409 -1.558 -9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.420 -1.721 -9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.274 -2.957 -10.177 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.818 -2.174 -10.836 1.00 0.00 H new ATOM 823 N ALA A 58 -13.256 0.800 -13.413 1.00 0.00 N ATOM 824 CA ALA A 58 -14.003 1.874 -14.051 1.00 0.00 C ATOM 825 C ALA A 58 -14.699 1.379 -15.314 1.00 0.00 C ATOM 826 O ALA A 58 -15.753 1.882 -15.697 1.00 0.00 O ATOM 827 CB ALA A 58 -13.083 3.043 -14.366 1.00 0.00 C ATOM 0 H ALA A 58 -12.244 0.930 -13.406 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.772 2.215 -13.357 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.656 3.838 -14.843 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.641 3.417 -13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.292 2.712 -15.039 1.00 0.00 H new ATOM 833 N GLY A 59 -14.115 0.371 -15.943 1.00 0.00 N ATOM 834 CA GLY A 59 -14.693 -0.183 -17.149 1.00 0.00 C ATOM 835 C GLY A 59 -15.684 -1.288 -16.854 1.00 0.00 C ATOM 836 O GLY A 59 -16.271 -1.869 -17.767 1.00 0.00 O ATOM 0 H GLY A 59 -13.249 -0.074 -15.639 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.191 0.609 -17.708 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.898 -0.571 -17.786 1.00 0.00 H new ATOM 840 N LEU A 60 -15.878 -1.577 -15.576 1.00 0.00 N ATOM 841 CA LEU A 60 -16.807 -2.618 -15.162 1.00 0.00 C ATOM 842 C LEU A 60 -18.150 -2.021 -14.769 1.00 0.00 C ATOM 843 O LEU A 60 -18.990 -2.686 -14.163 1.00 0.00 O ATOM 844 CB LEU A 60 -16.225 -3.420 -14.000 1.00 0.00 C ATOM 845 CG LEU A 60 -15.758 -4.830 -14.357 1.00 0.00 C ATOM 846 CD1 LEU A 60 -14.615 -5.254 -13.451 1.00 0.00 C ATOM 847 CD2 LEU A 60 -16.914 -5.816 -14.263 1.00 0.00 C ATOM 0 H LEU A 60 -15.404 -1.104 -14.806 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.964 -3.288 -16.007 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.381 -2.869 -13.585 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.977 -3.491 -13.215 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.398 -4.826 -15.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.293 -6.261 -13.718 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.781 -4.563 -13.570 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.950 -5.243 -12.414 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.562 -6.815 -14.521 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.306 -5.821 -13.246 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.702 -5.519 -14.955 1.00 0.00 H new ATOM 859 N GLY A 61 -18.340 -0.759 -15.116 1.00 0.00 N ATOM 860 CA GLY A 61 -19.591 -0.087 -14.821 1.00 0.00 C ATOM 861 C GLY A 61 -19.497 0.794 -13.595 1.00 0.00 C ATOM 862 O GLY A 61 -20.371 1.625 -13.348 1.00 0.00 O ATOM 0 H GLY A 61 -17.649 -0.184 -15.598 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.886 0.518 -15.678 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.373 -0.831 -14.671 1.00 0.00 H new ATOM 866 N TYR A 62 -18.433 0.615 -12.831 1.00 0.00 N ATOM 867 CA TYR A 62 -18.216 1.398 -11.629 1.00 0.00 C ATOM 868 C TYR A 62 -17.159 2.456 -11.906 1.00 0.00 C ATOM 869 O TYR A 62 -16.898 2.787 -13.063 1.00 0.00 O ATOM 870 CB TYR A 62 -17.768 0.495 -10.472 1.00 0.00 C ATOM 871 CG TYR A 62 -18.302 -0.922 -10.546 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.662 -1.178 -10.431 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.444 -2.000 -10.729 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.153 -2.467 -10.497 1.00 0.00 C ATOM 875 CE2 TYR A 62 -17.930 -3.294 -10.796 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.284 -3.520 -10.679 1.00 0.00 C ATOM 877 OH TYR A 62 -19.778 -4.804 -10.748 1.00 0.00 O ATOM 0 H TYR A 62 -17.703 -0.070 -13.024 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.150 1.881 -11.343 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.679 0.460 -10.454 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.088 0.943 -9.531 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.347 -0.355 -10.288 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.382 -1.825 -10.820 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.214 -2.649 -10.406 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.252 -4.122 -10.939 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.683 -4.786 -11.123 1.00 0.00 H new ATOM 887 N LYS A 63 -16.564 2.996 -10.858 1.00 0.00 N ATOM 888 CA LYS A 63 -15.442 3.899 -11.015 1.00 0.00 C ATOM 889 C LYS A 63 -14.344 3.517 -10.040 1.00 0.00 C ATOM 890 O LYS A 63 -14.624 3.109 -8.915 1.00 0.00 O ATOM 891 CB LYS A 63 -15.875 5.348 -10.789 1.00 0.00 C ATOM 892 CG LYS A 63 -15.881 6.186 -12.056 1.00 0.00 C ATOM 893 CD LYS A 63 -14.501 6.259 -12.689 1.00 0.00 C ATOM 894 CE LYS A 63 -14.129 7.688 -13.047 1.00 0.00 C ATOM 895 NZ LYS A 63 -15.142 8.320 -13.933 1.00 0.00 N ATOM 0 H LYS A 63 -16.840 2.824 -9.891 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.063 3.817 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.874 5.356 -10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.207 5.809 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.587 5.761 -12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.229 7.193 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.761 5.851 -12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.477 5.640 -13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.027 8.276 -12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.158 7.697 -13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.699 9.091 -14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.520 7.609 -14.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.917 8.703 -13.356 1.00 0.00 H new ATOM 909 N ALA A 64 -13.101 3.614 -10.475 1.00 0.00 N ATOM 910 CA ALA A 64 -11.980 3.328 -9.598 1.00 0.00 C ATOM 911 C ALA A 64 -11.022 4.505 -9.510 1.00 0.00 C ATOM 912 O ALA A 64 -10.894 5.296 -10.446 1.00 0.00 O ATOM 913 CB ALA A 64 -11.244 2.086 -10.067 1.00 0.00 C ATOM 0 H ALA A 64 -12.843 3.887 -11.423 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.380 3.149 -8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.406 1.885 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.925 1.235 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.871 2.244 -11.079 1.00 0.00 H new ATOM 919 N THR A 65 -10.381 4.626 -8.363 1.00 0.00 N ATOM 920 CA THR A 65 -9.305 5.576 -8.153 1.00 0.00 C ATOM 921 C THR A 65 -8.198 4.888 -7.360 1.00 0.00 C ATOM 922 O THR A 65 -8.126 3.661 -7.335 1.00 0.00 O ATOM 923 CB THR A 65 -9.788 6.828 -7.386 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.221 6.857 -7.326 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.279 8.103 -8.045 1.00 0.00 C ATOM 0 H THR A 65 -10.595 4.061 -7.541 1.00 0.00 H new ATOM 0 HA THR A 65 -8.938 5.906 -9.125 1.00 0.00 H new ATOM 0 HB THR A 65 -9.386 6.774 -6.374 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.516 7.725 -6.981 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.634 8.968 -7.485 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.189 8.098 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.650 8.156 -9.069 1.00 0.00 H new ATOM 933 N LEU A 66 -7.369 5.662 -6.683 1.00 0.00 N ATOM 934 CA LEU A 66 -6.311 5.102 -5.855 1.00 0.00 C ATOM 935 C LEU A 66 -5.986 6.068 -4.731 1.00 0.00 C ATOM 936 O LEU A 66 -5.689 7.236 -4.976 1.00 0.00 O ATOM 937 CB LEU A 66 -5.053 4.811 -6.684 1.00 0.00 C ATOM 938 CG LEU A 66 -4.905 5.631 -7.970 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.785 6.648 -7.827 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.644 4.718 -9.157 1.00 0.00 C ATOM 0 H LEU A 66 -7.406 6.681 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.660 4.158 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.178 4.988 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.049 3.753 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.838 6.167 -8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.694 7.221 -8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.010 7.323 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.847 6.130 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.542 5.318 -10.062 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.726 4.156 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.477 4.025 -9.273 1.00 0.00 H new ATOM 952 N ALA A 67 -6.062 5.583 -3.500 1.00 0.00 N ATOM 953 CA ALA A 67 -5.874 6.436 -2.338 1.00 0.00 C ATOM 954 C ALA A 67 -5.612 5.598 -1.103 1.00 0.00 C ATOM 955 O ALA A 67 -6.522 4.958 -0.572 1.00 0.00 O ATOM 956 CB ALA A 67 -7.094 7.323 -2.118 1.00 0.00 C ATOM 0 H ALA A 67 -6.252 4.605 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.009 7.074 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.933 7.953 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.250 7.952 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.973 6.699 -1.958 1.00 0.00 H new ATOM 962 N ASP A 68 -4.365 5.582 -0.662 1.00 0.00 N ATOM 963 CA ASP A 68 -4.000 4.838 0.524 1.00 0.00 C ATOM 964 C ASP A 68 -4.618 5.471 1.759 1.00 0.00 C ATOM 965 O ASP A 68 -5.323 4.805 2.518 1.00 0.00 O ATOM 966 CB ASP A 68 -2.485 4.748 0.675 1.00 0.00 C ATOM 967 CG ASP A 68 -2.055 3.398 1.209 1.00 0.00 C ATOM 968 OD1 ASP A 68 -1.876 2.461 0.397 1.00 0.00 O ATOM 969 OD2 ASP A 68 -1.906 3.262 2.439 1.00 0.00 O ATOM 0 H ASP A 68 -3.592 6.076 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.388 3.825 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.012 4.925 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.139 5.533 1.348 1.00 0.00 H new ATOM 974 N ALA A 69 -4.361 6.762 1.928 1.00 0.00 N ATOM 975 CA ALA A 69 -4.897 7.530 3.047 1.00 0.00 C ATOM 976 C ALA A 69 -4.532 6.875 4.373 1.00 0.00 C ATOM 977 O ALA A 69 -3.320 6.765 4.657 1.00 0.00 O ATOM 978 CB ALA A 69 -6.406 7.698 2.914 1.00 0.00 C ATOM 979 OXT ALA A 69 -5.446 6.456 5.115 1.00 0.00 O ATOM 0 H ALA A 69 -3.776 7.307 1.294 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.447 8.523 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.784 8.274 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.633 8.223 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.882 6.717 2.901 1.00 0.00 H new TER 985 ALA A 69