USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 689 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 60 LYS NZ :NH3+ 152:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -0.0648 USER MOD Set 3.1: A 9 ASN : amide:sc= 1.05 K(o=0.3,f=-3.5) USER MOD Set 3.2: A 71 ASN : amide:sc= -0.748 K(o=0.3,f=-3.5!) USER MOD Single : A 0 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.065) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 2 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.24) USER MOD Single : A 3 HIS : no HD1:sc= 0.00116 X(o=0.0012,f=-0.31) USER MOD Single : A 4 HIS : no HD1:sc= -0.0343 X(o=-0.034,f=-0.4) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-5.7e-05) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -84:sc= 0.535 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.2 K(o=-0.2,f=-1) USER MOD Single : A 34 THR OG1 : rot -140:sc= -1.28 USER MOD Single : A 36 THR OG1 : rot 147:sc= 2.16 USER MOD Single : A 41 ASN : amide:sc= -0.0479 K(o=-0.048,f=-2!) USER MOD Single : A 43 THR OG1 : rot 11:sc= 0.869 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.8!) USER MOD Single : A 50 SER OG : rot 92:sc= 0.409 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 55:sc= 0.245 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0437 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 57:sc= 0.642 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 34:sc= 0.0226 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -8.992 -21.504 -4.763 1.00 54.25 N ATOM 2 CA MET A -2 -9.320 -21.444 -3.343 1.00 24.12 C ATOM 3 C MET A -2 -8.107 -21.018 -2.523 1.00 52.04 C ATOM 4 O MET A -2 -7.174 -21.795 -2.327 1.00 72.11 O ATOM 5 CB MET A -2 -9.828 -22.803 -2.858 1.00 25.32 C ATOM 6 CG MET A -2 -10.689 -22.718 -1.608 1.00 3.42 C ATOM 7 SD MET A -2 -9.723 -22.836 -0.089 1.00 45.21 S ATOM 8 CE MET A -2 -11.028 -22.966 1.132 1.00 34.12 C ATOM 0 H1 MET A -2 -9.833 -21.796 -5.301 1.00 54.25 H new ATOM 0 H2 MET A -2 -8.682 -20.566 -5.088 1.00 54.25 H new ATOM 0 H3 MET A -2 -8.228 -22.193 -4.914 1.00 54.25 H new ATOM 0 HA MET A -2 -10.106 -20.701 -3.207 1.00 24.12 H new ATOM 0 HB2 MET A -2 -10.404 -23.272 -3.655 1.00 25.32 H new ATOM 0 HB3 MET A -2 -8.974 -23.451 -2.658 1.00 25.32 H new ATOM 0 HG2 MET A -2 -11.238 -21.776 -1.613 1.00 3.42 H new ATOM 0 HG3 MET A -2 -11.429 -23.518 -1.626 1.00 3.42 H new ATOM 0 HE1 MET A -2 -10.589 -23.047 2.126 1.00 34.12 H new ATOM 0 HE2 MET A -2 -11.660 -22.079 1.085 1.00 34.12 H new ATOM 0 HE3 MET A -2 -11.630 -23.852 0.928 1.00 34.12 H new ATOM 18 N GLY A -1 -8.128 -19.777 -2.045 1.00 1.43 N ATOM 19 CA GLY A -1 -7.023 -19.269 -1.251 1.00 13.04 C ATOM 20 C GLY A -1 -6.784 -17.789 -1.471 1.00 33.14 C ATOM 21 O GLY A -1 -5.641 -17.349 -1.595 1.00 21.25 O ATOM 0 H GLY A -1 -8.890 -19.115 -2.193 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -7.226 -19.448 -0.195 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -6.117 -19.821 -1.500 1.00 13.04 H new ATOM 25 N HIS A 0 -7.866 -17.017 -1.519 1.00 34.31 N ATOM 26 CA HIS A 0 -7.769 -15.577 -1.726 1.00 13.52 C ATOM 27 C HIS A 0 -6.877 -14.935 -0.666 1.00 25.41 C ATOM 28 O HIS A 0 -6.551 -15.557 0.344 1.00 53.23 O ATOM 29 CB HIS A 0 -9.158 -14.941 -1.694 1.00 25.24 C ATOM 30 CG HIS A 0 -10.118 -15.549 -2.669 1.00 1.03 C ATOM 31 ND1 HIS A 0 -9.727 -16.073 -3.883 1.00 45.34 N ATOM 32 CD2 HIS A 0 -11.460 -15.716 -2.604 1.00 43.03 C ATOM 33 CE1 HIS A 0 -10.786 -16.535 -4.524 1.00 10.13 C ATOM 34 NE2 HIS A 0 -11.850 -16.331 -3.769 1.00 75.12 N ATOM 0 H HIS A 0 -8.819 -17.365 -1.417 1.00 34.31 H new ATOM 0 HA HIS A 0 -7.322 -15.405 -2.705 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -9.568 -15.033 -0.688 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -9.066 -13.875 -1.904 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -12.104 -15.421 -1.789 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -10.782 -17.000 -5.499 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -12.807 -16.588 -4.012 1.00 75.12 H new ATOM 42 N HIS A 1 -6.488 -13.686 -0.905 1.00 21.22 N ATOM 43 CA HIS A 1 -5.635 -12.961 0.029 1.00 52.03 C ATOM 44 C HIS A 1 -6.298 -11.660 0.472 1.00 62.11 C ATOM 45 O HIS A 1 -7.000 -11.013 -0.305 1.00 54.41 O ATOM 46 CB HIS A 1 -4.279 -12.662 -0.612 1.00 31.50 C ATOM 47 CG HIS A 1 -4.379 -11.891 -1.892 1.00 2.14 C ATOM 48 ND1 HIS A 1 -4.314 -10.514 -1.948 1.00 14.01 N ATOM 49 CD2 HIS A 1 -4.538 -12.310 -3.169 1.00 4.13 C ATOM 50 CE1 HIS A 1 -4.431 -10.121 -3.204 1.00 32.44 C ATOM 51 NE2 HIS A 1 -4.567 -11.192 -3.965 1.00 32.12 N ATOM 0 H HIS A 1 -6.750 -13.156 -1.736 1.00 21.22 H new ATOM 0 HA HIS A 1 -5.483 -13.589 0.907 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -3.668 -12.100 0.095 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -3.761 -13.602 -0.803 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -4.626 -13.334 -3.500 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -4.418 -9.098 -3.550 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -4.676 -11.189 -4.979 1.00 32.12 H new ATOM 59 N HIS A 2 -6.073 -11.284 1.727 1.00 33.54 N ATOM 60 CA HIS A 2 -6.648 -10.060 2.274 1.00 24.03 C ATOM 61 C HIS A 2 -5.729 -9.451 3.328 1.00 63.52 C ATOM 62 O HIS A 2 -4.655 -9.982 3.612 1.00 4.20 O ATOM 63 CB HIS A 2 -8.022 -10.346 2.882 1.00 32.11 C ATOM 64 CG HIS A 2 -9.079 -10.640 1.862 1.00 2.22 C ATOM 65 ND1 HIS A 2 -9.539 -11.913 1.600 1.00 55.23 N ATOM 66 CD2 HIS A 2 -9.767 -9.814 1.039 1.00 45.43 C ATOM 67 CE1 HIS A 2 -10.464 -11.858 0.658 1.00 2.54 C ATOM 68 NE2 HIS A 2 -10.621 -10.597 0.301 1.00 72.04 N ATOM 0 H HIS A 2 -5.497 -11.809 2.384 1.00 33.54 H new ATOM 0 HA HIS A 2 -6.760 -9.345 1.459 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -7.940 -11.193 3.563 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -8.332 -9.488 3.478 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -9.664 -8.741 0.975 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -11.001 -12.702 0.250 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -11.271 -10.259 -0.408 1.00 72.04 H new ATOM 76 N HIS A 3 -6.157 -8.332 3.905 1.00 13.21 N ATOM 77 CA HIS A 3 -5.373 -7.651 4.928 1.00 42.42 C ATOM 78 C HIS A 3 -6.099 -7.666 6.270 1.00 63.20 C ATOM 79 O HIS A 3 -7.319 -7.513 6.329 1.00 2.02 O ATOM 80 CB HIS A 3 -5.087 -6.210 4.506 1.00 1.22 C ATOM 81 CG HIS A 3 -6.324 -5.400 4.263 1.00 65.11 C ATOM 82 ND1 HIS A 3 -7.011 -5.417 3.067 1.00 71.31 N ATOM 83 CD2 HIS A 3 -6.998 -4.549 5.071 1.00 41.43 C ATOM 84 CE1 HIS A 3 -8.053 -4.609 3.149 1.00 65.21 C ATOM 85 NE2 HIS A 3 -8.068 -4.070 4.355 1.00 12.34 N ATOM 0 H HIS A 3 -7.043 -7.878 3.681 1.00 13.21 H new ATOM 0 HA HIS A 3 -4.428 -8.183 5.040 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -4.491 -5.725 5.279 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -4.484 -6.219 3.598 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -6.742 -4.294 6.089 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -8.770 -4.421 2.364 1.00 65.21 H new ATOM 0 HE2 HIS A 3 -8.762 -3.406 4.699 1.00 12.34 H new ATOM 93 N HIS A 4 -5.341 -7.853 7.345 1.00 40.35 N ATOM 94 CA HIS A 4 -5.912 -7.888 8.687 1.00 22.10 C ATOM 95 C HIS A 4 -4.833 -7.666 9.743 1.00 74.02 C ATOM 96 O HIS A 4 -3.660 -7.968 9.521 1.00 44.32 O ATOM 97 CB HIS A 4 -6.612 -9.226 8.930 1.00 1.30 C ATOM 98 CG HIS A 4 -5.766 -10.415 8.592 1.00 5.31 C ATOM 99 ND1 HIS A 4 -4.713 -10.837 9.377 1.00 64.23 N ATOM 100 CD2 HIS A 4 -5.825 -11.274 7.549 1.00 51.54 C ATOM 101 CE1 HIS A 4 -4.160 -11.904 8.829 1.00 54.22 C ATOM 102 NE2 HIS A 4 -4.816 -12.190 7.719 1.00 4.14 N ATOM 0 H HIS A 4 -4.330 -7.983 7.314 1.00 40.35 H new ATOM 0 HA HIS A 4 -6.643 -7.083 8.766 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -6.908 -9.287 9.977 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -7.526 -9.261 8.338 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -6.533 -11.245 6.734 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -3.315 -12.450 9.222 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -4.607 -12.965 7.090 1.00 4.14 H new ATOM 110 N HIS A 5 -5.238 -7.135 10.893 1.00 60.24 N ATOM 111 CA HIS A 5 -4.306 -6.872 11.983 1.00 11.12 C ATOM 112 C HIS A 5 -4.828 -7.449 13.295 1.00 33.24 C ATOM 113 O HIS A 5 -4.813 -6.782 14.331 1.00 12.22 O ATOM 114 CB HIS A 5 -4.074 -5.368 12.131 1.00 22.12 C ATOM 115 CG HIS A 5 -3.376 -4.752 10.958 1.00 33.15 C ATOM 116 ND1 HIS A 5 -3.892 -3.686 10.251 1.00 43.31 N ATOM 117 CD2 HIS A 5 -2.195 -5.056 10.371 1.00 2.04 C ATOM 118 CE1 HIS A 5 -3.059 -3.362 9.277 1.00 73.02 C ATOM 119 NE2 HIS A 5 -2.021 -4.179 9.328 1.00 44.41 N ATOM 0 H HIS A 5 -6.205 -6.879 11.093 1.00 60.24 H new ATOM 0 HA HIS A 5 -3.359 -7.357 11.744 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -5.035 -4.873 12.273 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -3.485 -5.186 13.030 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -1.516 -5.842 10.667 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -3.202 -2.566 8.562 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -1.221 -4.161 8.696 1.00 44.41 H new ATOM 127 N THR A 6 -5.290 -8.695 13.246 1.00 44.42 N ATOM 128 CA THR A 6 -5.819 -9.362 14.430 1.00 11.22 C ATOM 129 C THR A 6 -4.723 -10.122 15.167 1.00 23.31 C ATOM 130 O THR A 6 -3.746 -10.567 14.564 1.00 44.55 O ATOM 131 CB THR A 6 -6.951 -10.341 14.065 1.00 11.30 C ATOM 132 OG1 THR A 6 -7.721 -9.816 12.978 1.00 25.35 O ATOM 133 CG2 THR A 6 -7.856 -10.591 15.261 1.00 51.53 C ATOM 0 H THR A 6 -5.309 -9.263 12.399 1.00 44.42 H new ATOM 0 HA THR A 6 -6.218 -8.583 15.080 1.00 11.22 H new ATOM 0 HB THR A 6 -6.501 -11.288 13.766 1.00 11.30 H new ATOM 0 HG1 THR A 6 -8.437 -10.445 12.751 1.00 25.35 H new ATOM 0 HG21 THR A 6 -8.648 -11.285 14.979 1.00 51.53 H new ATOM 0 HG22 THR A 6 -7.272 -11.018 16.076 1.00 51.53 H new ATOM 0 HG23 THR A 6 -8.298 -9.649 15.586 1.00 51.53 H new ATOM 141 N LYS A 7 -4.891 -10.269 16.477 1.00 74.22 N ATOM 142 CA LYS A 7 -3.917 -10.978 17.299 1.00 52.34 C ATOM 143 C LYS A 7 -4.600 -11.677 18.471 1.00 44.13 C ATOM 144 O LYS A 7 -5.119 -11.027 19.376 1.00 11.03 O ATOM 145 CB LYS A 7 -2.856 -10.006 17.820 1.00 74.23 C ATOM 146 CG LYS A 7 -1.812 -9.631 16.782 1.00 71.23 C ATOM 147 CD LYS A 7 -0.893 -8.531 17.286 1.00 12.54 C ATOM 148 CE LYS A 7 0.400 -8.476 16.489 1.00 45.02 C ATOM 149 NZ LYS A 7 1.441 -9.376 17.057 1.00 71.41 N1+ ATOM 0 H LYS A 7 -5.693 -9.906 16.992 1.00 74.22 H new ATOM 0 HA LYS A 7 -3.436 -11.734 16.678 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -3.348 -9.099 18.172 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -2.357 -10.453 18.680 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -1.221 -10.510 16.525 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -2.308 -9.302 15.869 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -1.404 -7.570 17.220 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -0.666 -8.699 18.339 1.00 12.54 H new ATOM 0 HE2 LYS A 7 0.201 -8.758 15.455 1.00 45.02 H new ATOM 0 HE3 LYS A 7 0.774 -7.452 16.474 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 2.307 -9.309 16.485 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 1.649 -9.092 18.035 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 1.095 -10.357 17.048 1.00 71.41 H new ATOM 163 N GLY A 8 -4.594 -13.006 18.445 1.00 4.54 N ATOM 164 CA GLY A 8 -5.214 -13.771 19.512 1.00 1.12 C ATOM 165 C GLY A 8 -6.724 -13.634 19.521 1.00 12.44 C ATOM 166 O GLY A 8 -7.254 -12.535 19.363 1.00 42.34 O ATOM 0 H GLY A 8 -4.171 -13.567 17.705 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -4.948 -14.822 19.403 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.816 -13.439 20.471 1.00 1.12 H new ATOM 170 N ASN A 9 -7.417 -14.753 19.704 1.00 51.20 N ATOM 171 CA ASN A 9 -8.875 -14.752 19.730 1.00 63.11 C ATOM 172 C ASN A 9 -9.401 -15.769 20.740 1.00 4.24 C ATOM 173 O ASN A 9 -9.027 -16.941 20.708 1.00 20.25 O ATOM 174 CB ASN A 9 -9.432 -15.062 18.339 1.00 62.31 C ATOM 175 CG ASN A 9 -10.922 -15.343 18.362 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.373 -16.400 17.921 1.00 73.41 O ATOM 177 ND2 ASN A 9 -11.695 -14.394 18.878 1.00 54.03 N ATOM 0 H ASN A 9 -6.993 -15.671 19.836 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.208 -13.759 20.033 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.234 -14.220 17.676 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.909 -15.924 17.925 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -12.706 -14.526 18.920 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.278 -13.533 19.232 1.00 54.03 H new ATOM 184 N VAL A 10 -10.272 -15.312 21.633 1.00 11.42 N ATOM 185 CA VAL A 10 -10.851 -16.181 22.651 1.00 24.54 C ATOM 186 C VAL A 10 -12.357 -16.322 22.460 1.00 65.31 C ATOM 187 O VAL A 10 -13.102 -15.348 22.565 1.00 73.33 O ATOM 188 CB VAL A 10 -10.572 -15.649 24.069 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.999 -16.667 25.115 1.00 4.15 C ATOM 190 CG2 VAL A 10 -9.100 -15.296 24.225 1.00 42.41 C ATOM 0 H VAL A 10 -10.593 -14.345 21.673 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.380 -17.157 22.539 1.00 24.54 H new ATOM 0 HB VAL A 10 -11.157 -14.742 24.220 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.794 -16.273 26.111 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.066 -16.865 25.016 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.443 -17.593 24.970 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.920 -14.922 25.233 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.493 -16.185 24.054 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.831 -14.528 23.500 1.00 42.41 H new ATOM 200 N THR A 11 -12.800 -17.544 22.179 1.00 10.10 N ATOM 201 CA THR A 11 -14.217 -17.814 21.973 1.00 34.03 C ATOM 202 C THR A 11 -14.679 -19.000 22.813 1.00 20.04 C ATOM 203 O THR A 11 -13.887 -19.877 23.155 1.00 73.43 O ATOM 204 CB THR A 11 -14.526 -18.099 20.491 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.448 -18.834 19.900 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.743 -16.803 19.725 1.00 3.03 C ATOM 0 H THR A 11 -12.197 -18.362 22.089 1.00 10.10 H new ATOM 0 HA THR A 11 -14.757 -16.919 22.284 1.00 34.03 H new ATOM 0 HB THR A 11 -15.440 -18.690 20.439 1.00 22.23 H new ATOM 0 HG1 THR A 11 -13.652 -19.013 18.958 1.00 45.23 H new ATOM 0 HG21 THR A 11 -14.960 -17.029 18.681 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.582 -16.259 20.160 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.843 -16.190 19.784 1.00 3.03 H new ATOM 214 N SER A 12 -15.967 -19.020 23.143 1.00 72.20 N ATOM 215 CA SER A 12 -16.534 -20.096 23.946 1.00 63.13 C ATOM 216 C SER A 12 -16.809 -21.328 23.088 1.00 64.31 C ATOM 217 O SER A 12 -17.075 -21.217 21.891 1.00 41.10 O ATOM 218 CB SER A 12 -17.825 -19.632 24.621 1.00 31.13 C ATOM 219 OG SER A 12 -18.003 -20.269 25.875 1.00 24.24 O ATOM 0 H SER A 12 -16.637 -18.303 22.866 1.00 72.20 H new ATOM 0 HA SER A 12 -15.808 -20.364 24.713 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.799 -18.551 24.759 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.675 -19.850 23.975 1.00 31.13 H new ATOM 0 HG SER A 12 -18.835 -19.954 26.287 1.00 24.24 H new ATOM 225 N LYS A 13 -16.745 -22.500 23.708 1.00 44.22 N ATOM 226 CA LYS A 13 -16.988 -23.754 23.003 1.00 60.22 C ATOM 227 C LYS A 13 -18.446 -24.180 23.140 1.00 54.30 C ATOM 228 O LYS A 13 -18.782 -25.349 22.952 1.00 2.34 O ATOM 229 CB LYS A 13 -16.071 -24.853 23.544 1.00 51.22 C ATOM 230 CG LYS A 13 -15.747 -25.931 22.525 1.00 2.31 C ATOM 231 CD LYS A 13 -15.306 -27.220 23.198 1.00 13.33 C ATOM 232 CE LYS A 13 -14.614 -28.153 22.216 1.00 53.45 C ATOM 233 NZ LYS A 13 -13.166 -27.834 22.076 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.527 -22.609 24.698 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.771 -23.597 21.946 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.142 -24.401 23.890 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.543 -25.315 24.411 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -16.624 -26.124 21.907 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.959 -25.579 21.860 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -14.629 -26.989 24.021 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.172 -27.721 23.629 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -14.728 -29.184 22.552 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -15.098 -28.080 21.242 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -12.730 -28.491 21.399 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -13.057 -26.859 21.731 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -12.699 -27.929 23.000 1.00 51.21 H new ATOM 247 N THR A 14 -19.309 -23.224 23.469 1.00 41.41 N ATOM 248 CA THR A 14 -20.731 -23.500 23.630 1.00 75.14 C ATOM 249 C THR A 14 -21.495 -23.225 22.339 1.00 53.42 C ATOM 250 O THR A 14 -22.142 -24.116 21.788 1.00 1.11 O ATOM 251 CB THR A 14 -21.342 -22.658 24.765 1.00 22.31 C ATOM 252 OG1 THR A 14 -21.031 -21.273 24.568 1.00 34.11 O ATOM 253 CG2 THR A 14 -20.820 -23.112 26.119 1.00 0.42 C ATOM 0 H THR A 14 -19.048 -22.251 23.629 1.00 41.41 H new ATOM 0 HA THR A 14 -20.821 -24.556 23.883 1.00 75.14 H new ATOM 0 HB THR A 14 -22.423 -22.795 24.747 1.00 22.31 H new ATOM 0 HG1 THR A 14 -21.424 -20.743 25.293 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.266 -22.502 26.904 1.00 0.42 H new ATOM 0 HG22 THR A 14 -21.083 -24.158 26.278 1.00 0.42 H new ATOM 0 HG23 THR A 14 -19.736 -23.002 26.146 1.00 0.42 H new ATOM 261 N ASP A 15 -21.416 -21.988 21.863 1.00 13.30 N ATOM 262 CA ASP A 15 -22.097 -21.596 20.636 1.00 3.24 C ATOM 263 C ASP A 15 -21.099 -21.118 19.588 1.00 54.23 C ATOM 264 O ASP A 15 -21.356 -21.199 18.387 1.00 30.21 O ATOM 265 CB ASP A 15 -23.119 -20.496 20.924 1.00 34.54 C ATOM 266 CG ASP A 15 -22.624 -19.501 21.957 1.00 5.42 C ATOM 267 OD1 ASP A 15 -21.431 -19.137 21.904 1.00 25.13 O ATOM 268 OD2 ASP A 15 -23.429 -19.087 22.816 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.886 -21.239 22.309 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.616 -22.470 20.244 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -23.352 -19.969 19.999 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -24.046 -20.949 21.275 1.00 34.54 H new ATOM 273 N GLY A 16 -19.957 -20.618 20.049 1.00 45.50 N ATOM 274 CA GLY A 16 -18.936 -20.132 19.139 1.00 13.14 C ATOM 275 C GLY A 16 -18.866 -18.619 19.101 1.00 50.04 C ATOM 276 O GLY A 16 -18.500 -18.033 18.082 1.00 53.34 O ATOM 0 H GLY A 16 -19.720 -20.541 21.038 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -17.967 -20.530 19.439 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.138 -20.509 18.136 1.00 13.14 H new ATOM 280 N GLN A 17 -19.216 -17.984 20.215 1.00 15.14 N ATOM 281 CA GLN A 17 -19.194 -16.528 20.303 1.00 71.43 C ATOM 282 C GLN A 17 -17.910 -16.044 20.970 1.00 32.32 C ATOM 283 O GLN A 17 -17.224 -16.792 21.668 1.00 12.20 O ATOM 284 CB GLN A 17 -20.409 -16.024 21.083 1.00 54.31 C ATOM 285 CG GLN A 17 -21.630 -15.777 20.212 1.00 63.40 C ATOM 286 CD GLN A 17 -22.867 -15.443 21.024 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.814 -15.358 22.251 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.990 -15.253 20.340 1.00 74.15 N ATOM 0 H GLN A 17 -19.518 -18.454 21.068 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.231 -16.127 19.290 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.664 -16.752 21.853 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.144 -15.098 21.594 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.421 -14.959 19.523 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -21.825 -16.662 19.607 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -23.988 -15.333 19.323 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.855 -15.027 20.832 1.00 74.15 H new ATOM 297 N PRO A 18 -17.576 -14.764 20.753 1.00 51.11 N ATOM 298 CA PRO A 18 -16.373 -14.151 21.324 1.00 61.23 C ATOM 299 C PRO A 18 -16.477 -13.969 22.834 1.00 5.35 C ATOM 300 O PRO A 18 -17.564 -13.751 23.369 1.00 41.13 O ATOM 301 CB PRO A 18 -16.301 -12.791 20.625 1.00 11.54 C ATOM 302 CG PRO A 18 -17.708 -12.489 20.239 1.00 0.34 C ATOM 303 CD PRO A 18 -18.347 -13.815 19.931 1.00 14.12 C ATOM 0 HA PRO A 18 -15.489 -14.770 21.172 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.900 -12.025 21.289 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.650 -12.829 19.751 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.234 -11.981 21.047 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.742 -11.829 19.372 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.405 -13.822 20.194 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.281 -14.056 18.870 1.00 14.12 H new ATOM 311 N ILE A 19 -15.340 -14.059 23.516 1.00 51.31 N ATOM 312 CA ILE A 19 -15.304 -13.902 24.964 1.00 72.32 C ATOM 313 C ILE A 19 -14.960 -12.469 25.354 1.00 61.13 C ATOM 314 O ILE A 19 -13.916 -11.943 24.966 1.00 31.30 O ATOM 315 CB ILE A 19 -14.282 -14.857 25.609 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.617 -16.308 25.260 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.253 -14.663 27.118 1.00 24.05 C ATOM 318 CD1 ILE A 19 -16.008 -16.726 25.682 1.00 75.31 C ATOM 0 H ILE A 19 -14.432 -14.240 23.089 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.300 -14.147 25.332 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.293 -14.626 25.214 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.516 -16.447 24.184 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.889 -16.965 25.736 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.526 -15.345 27.559 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.972 -13.635 27.347 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.241 -14.870 27.530 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.176 -17.766 25.403 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.108 -16.620 26.762 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.744 -16.094 25.186 1.00 75.31 H new ATOM 330 N ILE A 20 -15.841 -11.843 26.126 1.00 0.14 N ATOM 331 CA ILE A 20 -15.630 -10.471 26.571 1.00 33.25 C ATOM 332 C ILE A 20 -15.277 -10.422 28.053 1.00 4.43 C ATOM 333 O ILE A 20 -16.082 -10.795 28.906 1.00 31.01 O ATOM 334 CB ILE A 20 -16.875 -9.599 26.321 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.412 -9.832 24.908 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.543 -8.130 26.533 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.648 -9.018 24.590 1.00 42.20 C ATOM 0 H ILE A 20 -16.709 -12.264 26.457 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.798 -10.075 25.989 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.649 -9.883 27.034 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.632 -9.590 24.187 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.642 -10.890 24.785 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.432 -7.526 26.353 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.203 -7.978 27.557 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.755 -7.831 25.841 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.974 -9.233 23.572 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.444 -9.277 25.288 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.418 -7.956 24.680 1.00 42.20 H new ATOM 349 N GLY A 21 -14.068 -9.957 28.354 1.00 4.13 N ATOM 350 CA GLY A 21 -13.631 -9.866 29.734 1.00 62.52 C ATOM 351 C GLY A 21 -12.743 -11.026 30.139 1.00 10.52 C ATOM 352 O GLY A 21 -12.770 -11.466 31.288 1.00 13.11 O ATOM 0 H GLY A 21 -13.384 -9.642 27.666 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.091 -8.931 29.880 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.503 -9.835 30.387 1.00 62.52 H new ATOM 356 N ALA A 22 -11.954 -11.524 29.193 1.00 14.24 N ATOM 357 CA ALA A 22 -11.055 -12.640 29.456 1.00 24.05 C ATOM 358 C ALA A 22 -9.695 -12.146 29.939 1.00 13.45 C ATOM 359 O ALA A 22 -9.083 -11.277 29.318 1.00 23.13 O ATOM 360 CB ALA A 22 -10.895 -13.496 28.208 1.00 63.11 C ATOM 0 H ALA A 22 -11.919 -11.171 28.236 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.494 -13.249 30.246 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.221 -14.326 28.420 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.867 -13.886 27.907 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.482 -12.890 27.402 1.00 63.11 H new ATOM 366 N SER A 23 -9.228 -12.706 31.051 1.00 20.43 N ATOM 367 CA SER A 23 -7.942 -12.319 31.620 1.00 45.41 C ATOM 368 C SER A 23 -6.791 -12.943 30.836 1.00 32.33 C ATOM 369 O SER A 23 -6.558 -14.150 30.909 1.00 40.44 O ATOM 370 CB SER A 23 -7.863 -12.741 33.088 1.00 52.44 C ATOM 371 OG SER A 23 -9.115 -12.587 33.732 1.00 21.24 O ATOM 0 H SER A 23 -9.721 -13.429 31.575 1.00 20.43 H new ATOM 0 HA SER A 23 -7.855 -11.234 31.556 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.542 -13.781 33.154 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.111 -12.142 33.601 1.00 52.44 H new ATOM 0 HG SER A 23 -9.038 -12.865 34.668 1.00 21.24 H new ATOM 377 N VAL A 24 -6.075 -12.112 30.086 1.00 70.10 N ATOM 378 CA VAL A 24 -4.948 -12.581 29.289 1.00 11.40 C ATOM 379 C VAL A 24 -3.636 -11.985 29.789 1.00 21.15 C ATOM 380 O VAL A 24 -3.357 -10.805 29.575 1.00 75.44 O ATOM 381 CB VAL A 24 -5.126 -12.226 27.801 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.935 -12.712 26.989 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.422 -12.814 27.265 1.00 64.12 C ATOM 0 H VAL A 24 -6.255 -11.111 30.014 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.915 -13.665 29.394 1.00 11.40 H new ATOM 0 HB VAL A 24 -5.180 -11.141 27.708 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -4.079 -12.452 25.940 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -3.025 -12.239 27.358 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.846 -13.794 27.086 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.532 -12.553 26.212 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.400 -13.899 27.370 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.264 -12.412 27.828 1.00 64.12 H new ATOM 393 N VAL A 25 -2.834 -12.809 30.455 1.00 54.40 N ATOM 394 CA VAL A 25 -1.550 -12.364 30.984 1.00 74.22 C ATOM 395 C VAL A 25 -0.410 -13.231 30.461 1.00 74.52 C ATOM 396 O VAL A 25 -0.602 -14.409 30.160 1.00 52.34 O ATOM 397 CB VAL A 25 -1.537 -12.393 32.524 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.685 -11.566 33.083 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.606 -13.826 33.030 1.00 31.03 C ATOM 0 H VAL A 25 -3.050 -13.788 30.641 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.407 -11.338 30.646 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.602 -11.954 32.871 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.660 -11.598 34.172 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.586 -10.533 32.748 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.632 -11.973 32.730 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.596 -13.828 34.120 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.524 -14.293 32.675 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.747 -14.385 32.658 1.00 31.03 H new ATOM 409 N GLU A 26 0.776 -12.640 30.356 1.00 60.03 N ATOM 410 CA GLU A 26 1.946 -13.359 29.869 1.00 2.03 C ATOM 411 C GLU A 26 2.582 -14.184 30.985 1.00 74.12 C ATOM 412 O GLU A 26 2.266 -14.006 32.162 1.00 32.34 O ATOM 413 CB GLU A 26 2.973 -12.379 29.296 1.00 54.12 C ATOM 414 CG GLU A 26 2.843 -12.169 27.797 1.00 11.04 C ATOM 415 CD GLU A 26 3.659 -13.163 26.996 1.00 42.11 C ATOM 416 OE1 GLU A 26 3.738 -13.006 25.759 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.218 -14.101 27.604 1.00 73.20 O1- ATOM 0 H GLU A 26 0.951 -11.666 30.602 1.00 60.03 H new ATOM 0 HA GLU A 26 1.621 -14.037 29.080 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.866 -11.418 29.800 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.975 -12.745 29.518 1.00 54.12 H new ATOM 0 HG2 GLU A 26 1.794 -12.252 27.512 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.162 -11.157 27.547 1.00 11.04 H new ATOM 424 N THR A 27 3.482 -15.087 30.607 1.00 32.44 N ATOM 425 CA THR A 27 4.160 -15.940 31.573 1.00 21.42 C ATOM 426 C THR A 27 4.987 -15.114 32.550 1.00 43.23 C ATOM 427 O THR A 27 5.001 -15.383 33.752 1.00 52.43 O ATOM 428 CB THR A 27 5.078 -16.960 30.874 1.00 43.33 C ATOM 429 OG1 THR A 27 5.558 -16.421 29.637 1.00 43.23 O ATOM 430 CG2 THR A 27 4.340 -18.265 30.614 1.00 11.11 C ATOM 0 H THR A 27 3.758 -15.246 29.638 1.00 32.44 H new ATOM 0 HA THR A 27 3.385 -16.476 32.121 1.00 21.42 H new ATOM 0 HB THR A 27 5.923 -17.165 31.532 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.891 -16.570 28.935 1.00 43.23 H new ATOM 0 HG21 THR A 27 5.009 -18.969 30.120 1.00 11.11 H new ATOM 0 HG22 THR A 27 4.004 -18.688 31.561 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.478 -18.074 29.975 1.00 11.11 H new ATOM 438 N THR A 28 5.679 -14.105 32.028 1.00 30.42 N ATOM 439 CA THR A 28 6.510 -13.240 32.855 1.00 4.41 C ATOM 440 C THR A 28 5.940 -11.827 32.918 1.00 13.12 C ATOM 441 O THR A 28 6.230 -11.072 33.845 1.00 64.00 O ATOM 442 CB THR A 28 7.955 -13.174 32.325 1.00 64.03 C ATOM 443 OG1 THR A 28 7.951 -12.838 30.933 1.00 63.55 O ATOM 444 CG2 THR A 28 8.666 -14.504 32.528 1.00 20.21 C ATOM 0 H THR A 28 5.680 -13.868 31.036 1.00 30.42 H new ATOM 0 HA THR A 28 6.517 -13.672 33.856 1.00 4.41 H new ATOM 0 HB THR A 28 8.489 -12.405 32.883 1.00 64.03 H new ATOM 0 HG1 THR A 28 8.873 -12.796 30.604 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.685 -14.434 32.146 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.692 -14.744 33.591 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.131 -15.288 31.992 1.00 20.21 H new ATOM 452 N ALA A 29 5.126 -11.478 31.927 1.00 21.15 N ATOM 453 CA ALA A 29 4.514 -10.157 31.872 1.00 63.21 C ATOM 454 C ALA A 29 3.068 -10.202 32.355 1.00 61.33 C ATOM 455 O ALA A 29 2.132 -10.146 31.555 1.00 2.51 O ATOM 456 CB ALA A 29 4.582 -9.601 30.456 1.00 62.41 C ATOM 0 H ALA A 29 4.876 -12.092 31.152 1.00 21.15 H new ATOM 0 HA ALA A 29 5.072 -9.498 32.537 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.121 -8.614 30.430 1.00 62.41 H new ATOM 0 HB2 ALA A 29 5.624 -9.523 30.145 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.050 -10.268 29.777 1.00 62.41 H new ATOM 462 N THR A 30 2.890 -10.304 33.668 1.00 64.05 N ATOM 463 CA THR A 30 1.559 -10.358 34.257 1.00 52.03 C ATOM 464 C THR A 30 1.013 -8.958 34.513 1.00 44.32 C ATOM 465 O THR A 30 -0.186 -8.713 34.372 1.00 33.44 O ATOM 466 CB THR A 30 1.563 -11.145 35.582 1.00 73.01 C ATOM 467 OG1 THR A 30 2.674 -10.740 36.389 1.00 1.52 O ATOM 468 CG2 THR A 30 1.637 -12.642 35.323 1.00 41.22 C ATOM 0 H THR A 30 3.652 -10.351 34.344 1.00 64.05 H new ATOM 0 HA THR A 30 0.917 -10.870 33.540 1.00 52.03 H new ATOM 0 HB THR A 30 0.634 -10.929 36.109 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.668 -11.243 37.230 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.639 -13.176 36.273 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.774 -12.952 34.734 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.551 -12.872 34.776 1.00 41.22 H new ATOM 476 N THR A 31 1.898 -8.041 34.889 1.00 20.21 N ATOM 477 CA THR A 31 1.505 -6.666 35.164 1.00 74.23 C ATOM 478 C THR A 31 0.893 -6.011 33.931 1.00 5.21 C ATOM 479 O THR A 31 0.028 -5.145 34.042 1.00 44.33 O ATOM 480 CB THR A 31 2.705 -5.822 35.637 1.00 70.21 C ATOM 481 OG1 THR A 31 3.618 -5.619 34.554 1.00 65.04 O ATOM 482 CG2 THR A 31 3.423 -6.503 36.793 1.00 32.33 C ATOM 0 H THR A 31 2.894 -8.227 35.010 1.00 20.21 H new ATOM 0 HA THR A 31 0.760 -6.704 35.959 1.00 74.23 H new ATOM 0 HB THR A 31 2.330 -4.858 35.981 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.377 -5.081 34.862 1.00 65.04 H new ATOM 0 HG21 THR A 31 4.266 -5.889 37.110 1.00 32.33 H new ATOM 0 HG22 THR A 31 2.732 -6.629 37.627 1.00 32.33 H new ATOM 0 HG23 THR A 31 3.786 -7.479 36.472 1.00 32.33 H new ATOM 490 N ASN A 32 1.348 -6.434 32.756 1.00 33.34 N ATOM 491 CA ASN A 32 0.845 -5.888 31.501 1.00 52.15 C ATOM 492 C ASN A 32 -0.284 -6.752 30.946 1.00 70.20 C ATOM 493 O ASN A 32 -0.465 -6.852 29.733 1.00 25.25 O ATOM 494 CB ASN A 32 1.975 -5.786 30.475 1.00 21.20 C ATOM 495 CG ASN A 32 1.630 -4.860 29.324 1.00 12.02 C ATOM 496 OD1 ASN A 32 0.998 -3.822 29.516 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.044 -5.235 28.120 1.00 53.21 N ATOM 0 H ASN A 32 2.064 -7.153 32.647 1.00 33.34 H new ATOM 0 HA ASN A 32 0.453 -4.891 31.699 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.878 -5.427 30.968 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.198 -6.779 30.084 1.00 21.20 H new ATOM 0 HD21 ASN A 32 1.841 -4.654 27.307 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.565 -6.104 28.008 1.00 53.21 H new ATOM 504 N GLY A 33 -1.041 -7.375 31.844 1.00 61.22 N ATOM 505 CA GLY A 33 -2.142 -8.222 31.425 1.00 53.12 C ATOM 506 C GLY A 33 -3.195 -7.461 30.643 1.00 52.44 C ATOM 507 O GLY A 33 -3.538 -6.330 30.987 1.00 13.13 O ATOM 0 H GLY A 33 -0.911 -7.308 32.854 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.757 -9.036 30.812 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.603 -8.675 32.303 1.00 53.12 H new ATOM 511 N THR A 34 -3.707 -8.082 29.585 1.00 73.43 N ATOM 512 CA THR A 34 -4.724 -7.455 28.750 1.00 24.51 C ATOM 513 C THR A 34 -6.053 -8.194 28.853 1.00 64.20 C ATOM 514 O THR A 34 -6.117 -9.305 29.381 1.00 40.52 O ATOM 515 CB THR A 34 -4.289 -7.410 27.273 1.00 43.53 C ATOM 516 OG1 THR A 34 -2.862 -7.334 27.185 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.910 -6.217 26.562 1.00 1.21 C ATOM 0 H THR A 34 -3.434 -9.018 29.286 1.00 73.43 H new ATOM 0 HA THR A 34 -4.848 -6.436 29.116 1.00 24.51 H new ATOM 0 HB THR A 34 -4.635 -8.323 26.787 1.00 43.53 H new ATOM 0 HG1 THR A 34 -2.611 -6.717 26.466 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.588 -6.206 25.521 1.00 1.21 H new ATOM 0 HG22 THR A 34 -5.997 -6.293 26.605 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.591 -5.296 27.050 1.00 1.21 H new ATOM 525 N ILE A 35 -7.113 -7.571 28.347 1.00 53.35 N ATOM 526 CA ILE A 35 -8.439 -8.172 28.382 1.00 41.13 C ATOM 527 C ILE A 35 -9.039 -8.263 26.983 1.00 31.20 C ATOM 528 O ILE A 35 -8.789 -7.409 26.131 1.00 21.21 O ATOM 529 CB ILE A 35 -9.396 -7.372 29.287 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.373 -5.891 28.906 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.018 -7.555 30.749 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.640 -5.151 29.278 1.00 62.41 C ATOM 0 H ILE A 35 -7.078 -6.651 27.908 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.319 -9.176 28.790 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.409 -7.749 29.144 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.525 -5.412 29.395 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.213 -5.803 27.831 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.703 -6.984 31.376 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.081 -8.611 31.012 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.999 -7.201 30.908 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.553 -4.107 28.978 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.490 -5.605 28.768 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.791 -5.208 30.356 1.00 62.41 H new ATOM 544 N THR A 36 -9.832 -9.304 26.751 1.00 11.05 N ATOM 545 CA THR A 36 -10.468 -9.507 25.456 1.00 11.35 C ATOM 546 C THR A 36 -11.552 -8.464 25.206 1.00 20.04 C ATOM 547 O THR A 36 -12.327 -8.133 26.102 1.00 42.14 O ATOM 548 CB THR A 36 -11.091 -10.912 25.350 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.947 -11.154 26.471 1.00 5.11 O ATOM 550 CG2 THR A 36 -10.009 -11.980 25.291 1.00 55.34 C ATOM 0 H THR A 36 -10.049 -10.020 27.444 1.00 11.05 H new ATOM 0 HA THR A 36 -9.688 -9.405 24.702 1.00 11.35 H new ATOM 0 HB THR A 36 -11.676 -10.958 24.431 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.696 -11.723 26.194 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.472 -12.964 25.216 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.377 -11.810 24.420 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.401 -11.933 26.195 1.00 55.34 H new ATOM 558 N ASP A 37 -11.600 -7.950 23.981 1.00 12.13 N ATOM 559 CA ASP A 37 -12.590 -6.945 23.613 1.00 12.53 C ATOM 560 C ASP A 37 -13.904 -7.602 23.202 1.00 15.53 C ATOM 561 O ASP A 37 -14.029 -8.827 23.216 1.00 0.31 O ATOM 562 CB ASP A 37 -12.062 -6.073 22.472 1.00 5.44 C ATOM 563 CG ASP A 37 -10.595 -5.730 22.637 1.00 34.54 C ATOM 564 OD1 ASP A 37 -9.882 -5.667 21.614 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.159 -5.524 23.789 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.965 -8.213 23.227 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.776 -6.317 24.484 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -12.206 -6.593 21.525 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.644 -5.153 22.423 1.00 5.44 H new ATOM 570 N PHE A 38 -14.881 -6.780 22.835 1.00 33.31 N ATOM 571 CA PHE A 38 -16.187 -7.281 22.421 1.00 53.25 C ATOM 572 C PHE A 38 -16.051 -8.250 21.251 1.00 61.41 C ATOM 573 O PHE A 38 -16.855 -9.172 21.098 1.00 72.12 O ATOM 574 CB PHE A 38 -17.103 -6.118 22.032 1.00 35.41 C ATOM 575 CG PHE A 38 -17.825 -5.508 23.199 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.205 -5.387 23.190 1.00 64.43 C ATOM 577 CD2 PHE A 38 -17.123 -5.053 24.303 1.00 13.51 C ATOM 578 CE1 PHE A 38 -19.872 -4.825 24.262 1.00 20.23 C ATOM 579 CE2 PHE A 38 -17.785 -4.492 25.379 1.00 23.43 C ATOM 580 CZ PHE A 38 -19.161 -4.375 25.357 1.00 34.05 C ATOM 0 H PHE A 38 -14.794 -5.764 22.816 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.628 -7.815 23.263 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.510 -5.348 21.539 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.835 -6.470 21.305 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -19.766 -5.736 22.336 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -16.047 -5.137 24.323 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -20.948 -4.738 24.243 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -17.227 -4.145 26.236 1.00 23.43 H new ATOM 0 HZ PHE A 38 -19.680 -3.932 26.194 1.00 34.05 H new ATOM 590 N ASP A 39 -15.031 -8.037 20.428 1.00 22.51 N ATOM 591 CA ASP A 39 -14.790 -8.891 19.271 1.00 30.24 C ATOM 592 C ASP A 39 -14.237 -10.246 19.702 1.00 3.40 C ATOM 593 O ASP A 39 -14.287 -11.217 18.949 1.00 20.40 O ATOM 594 CB ASP A 39 -13.816 -8.214 18.304 1.00 73.22 C ATOM 595 CG ASP A 39 -14.429 -7.011 17.615 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.379 -6.427 18.175 1.00 51.04 O ATOM 597 OD2 ASP A 39 -13.957 -6.653 16.515 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.357 -7.280 20.540 1.00 22.51 H new ATOM 0 HA ASP A 39 -15.742 -9.051 18.764 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -12.925 -7.902 18.849 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.494 -8.935 17.552 1.00 73.22 H new ATOM 602 N GLY A 40 -13.711 -10.304 20.922 1.00 73.03 N ATOM 603 CA GLY A 40 -13.155 -11.544 21.432 1.00 73.43 C ATOM 604 C GLY A 40 -11.671 -11.671 21.157 1.00 75.31 C ATOM 605 O GLY A 40 -11.148 -12.777 21.032 1.00 64.34 O ATOM 0 H GLY A 40 -13.660 -9.515 21.566 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.328 -11.601 22.507 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.678 -12.386 20.980 1.00 73.43 H new ATOM 609 N ASN A 41 -10.988 -10.534 21.062 1.00 12.43 N ATOM 610 CA ASN A 41 -9.555 -10.522 20.798 1.00 23.51 C ATOM 611 C ASN A 41 -8.837 -9.552 21.731 1.00 23.24 C ATOM 612 O ASN A 41 -9.471 -8.749 22.417 1.00 21.02 O ATOM 613 CB ASN A 41 -9.287 -10.139 19.341 1.00 52.24 C ATOM 614 CG ASN A 41 -10.156 -8.986 18.877 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.469 -8.080 19.649 1.00 52.35 O ATOM 616 ND2 ASN A 41 -10.550 -9.017 17.609 1.00 22.41 N ATOM 0 H ASN A 41 -11.405 -9.609 21.164 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.169 -11.525 20.980 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.237 -9.868 19.227 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.465 -11.004 18.702 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.137 -8.269 17.239 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -10.266 -9.789 17.005 1.00 22.41 H new ATOM 623 N PHE A 42 -7.511 -9.629 21.751 1.00 71.21 N ATOM 624 CA PHE A 42 -6.706 -8.758 22.600 1.00 52.03 C ATOM 625 C PHE A 42 -5.428 -8.331 21.884 1.00 31.22 C ATOM 626 O PHE A 42 -5.073 -8.879 20.840 1.00 60.33 O ATOM 627 CB PHE A 42 -6.358 -9.468 23.909 1.00 2.54 C ATOM 628 CG PHE A 42 -5.848 -10.867 23.716 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.646 -11.097 23.066 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.570 -11.953 24.185 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.174 -12.384 22.887 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.104 -13.242 24.009 1.00 3.45 C ATOM 633 CZ PHE A 42 -4.904 -13.458 23.357 1.00 22.53 C ATOM 0 H PHE A 42 -6.970 -10.286 21.189 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.292 -7.866 22.823 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.605 -8.885 24.440 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.244 -9.497 24.544 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.071 -10.261 22.695 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.508 -11.790 24.694 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.235 -12.549 22.380 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -6.676 -14.079 24.380 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.538 -14.464 23.216 1.00 22.53 H new ATOM 643 N THR A 43 -4.739 -7.346 22.453 1.00 70.14 N ATOM 644 CA THR A 43 -3.502 -6.843 21.870 1.00 1.25 C ATOM 645 C THR A 43 -2.358 -6.898 22.876 1.00 72.34 C ATOM 646 O THR A 43 -2.397 -6.235 23.914 1.00 32.41 O ATOM 647 CB THR A 43 -3.664 -5.393 21.373 1.00 55.40 C ATOM 648 OG1 THR A 43 -3.764 -4.501 22.489 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.899 -5.257 20.496 1.00 0.43 C ATOM 0 H THR A 43 -5.017 -6.881 23.317 1.00 70.14 H new ATOM 0 HA THR A 43 -3.268 -7.486 21.022 1.00 1.25 H new ATOM 0 HB THR A 43 -2.787 -5.135 20.780 1.00 55.40 H new ATOM 0 HG1 THR A 43 -3.529 -4.979 23.312 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.993 -4.225 20.157 1.00 0.43 H new ATOM 0 HG22 THR A 43 -4.806 -5.916 19.632 1.00 0.43 H new ATOM 0 HG23 THR A 43 -5.784 -5.532 21.069 1.00 0.43 H new ATOM 657 N LEU A 44 -1.340 -7.691 22.563 1.00 30.33 N ATOM 658 CA LEU A 44 -0.182 -7.832 23.440 1.00 30.51 C ATOM 659 C LEU A 44 1.115 -7.804 22.638 1.00 15.23 C ATOM 660 O LEU A 44 1.331 -8.635 21.757 1.00 43.42 O ATOM 661 CB LEU A 44 -0.276 -9.136 24.235 1.00 2.24 C ATOM 662 CG LEU A 44 -1.225 -9.125 25.433 1.00 41.34 C ATOM 663 CD1 LEU A 44 -2.672 -9.194 24.968 1.00 14.32 C ATOM 664 CD2 LEU A 44 -0.910 -10.280 26.373 1.00 72.23 C ATOM 0 H LEU A 44 -1.292 -8.246 21.709 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.177 -6.991 24.133 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -0.589 -9.930 23.557 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.722 -9.394 24.590 1.00 2.24 H new ATOM 0 HG LEU A 44 -1.083 -8.191 25.976 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -3.333 -9.185 25.834 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -2.892 -8.335 24.335 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -2.829 -10.112 24.401 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -1.595 -10.257 27.220 1.00 72.23 H new ATOM 0 HD22 LEU A 44 -1.024 -11.224 25.840 1.00 72.23 H new ATOM 0 HD23 LEU A 44 0.115 -10.187 26.733 1.00 72.23 H new ATOM 676 N SER A 45 1.977 -6.841 22.953 1.00 73.42 N ATOM 677 CA SER A 45 3.254 -6.704 22.261 1.00 30.11 C ATOM 678 C SER A 45 4.407 -7.147 23.155 1.00 54.45 C ATOM 679 O SER A 45 4.715 -6.502 24.157 1.00 53.14 O ATOM 680 CB SER A 45 3.464 -5.254 21.819 1.00 12.24 C ATOM 681 OG SER A 45 2.642 -4.935 20.709 1.00 52.35 O ATOM 0 H SER A 45 1.815 -6.146 23.681 1.00 73.42 H new ATOM 0 HA SER A 45 3.233 -7.346 21.381 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.239 -4.582 22.647 1.00 12.24 H new ATOM 0 HB3 SER A 45 4.511 -5.098 21.557 1.00 12.24 H new ATOM 0 HG SER A 45 2.793 -4.003 20.447 1.00 52.35 H new ATOM 687 N VAL A 46 5.042 -8.255 22.785 1.00 11.02 N ATOM 688 CA VAL A 46 6.163 -8.786 23.552 1.00 13.10 C ATOM 689 C VAL A 46 7.395 -8.964 22.672 1.00 41.33 C ATOM 690 O VAL A 46 7.303 -9.106 21.452 1.00 34.03 O ATOM 691 CB VAL A 46 5.809 -10.137 24.201 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.944 -9.927 25.434 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.111 -11.043 23.198 1.00 21.52 C ATOM 0 H VAL A 46 4.799 -8.802 21.959 1.00 11.02 H new ATOM 0 HA VAL A 46 6.382 -8.061 24.336 1.00 13.10 H new ATOM 0 HB VAL A 46 6.733 -10.623 24.514 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.704 -10.893 25.879 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.485 -9.318 26.158 1.00 64.43 H new ATOM 0 HG13 VAL A 46 4.022 -9.419 25.150 1.00 64.43 H new ATOM 0 HG21 VAL A 46 4.868 -11.993 23.674 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.194 -10.565 22.853 1.00 21.52 H new ATOM 0 HG23 VAL A 46 5.770 -11.221 22.348 1.00 21.52 H new ATOM 703 N PRO A 47 8.579 -8.960 23.304 1.00 12.13 N ATOM 704 CA PRO A 47 9.853 -9.121 22.597 1.00 2.21 C ATOM 705 C PRO A 47 10.039 -10.533 22.052 1.00 41.24 C ATOM 706 O PRO A 47 10.394 -10.718 20.888 1.00 33.23 O ATOM 707 CB PRO A 47 10.897 -8.824 23.677 1.00 32.44 C ATOM 708 CG PRO A 47 10.213 -9.140 24.962 1.00 60.01 C ATOM 709 CD PRO A 47 8.764 -8.798 24.756 1.00 52.01 C ATOM 0 HA PRO A 47 9.921 -8.469 21.726 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.790 -9.435 23.543 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.216 -7.782 23.644 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.333 -10.193 25.219 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.638 -8.561 25.782 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.110 -9.462 25.321 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.541 -7.781 25.079 1.00 52.01 H new ATOM 717 N VAL A 48 9.796 -11.527 22.901 1.00 62.33 N ATOM 718 CA VAL A 48 9.935 -12.923 22.502 1.00 40.41 C ATOM 719 C VAL A 48 8.576 -13.610 22.424 1.00 23.10 C ATOM 720 O VAL A 48 7.637 -13.230 23.121 1.00 71.24 O ATOM 721 CB VAL A 48 10.834 -13.699 23.484 1.00 11.01 C ATOM 722 CG1 VAL A 48 10.160 -13.824 24.842 1.00 61.40 C ATOM 723 CG2 VAL A 48 11.176 -15.071 22.921 1.00 30.33 C ATOM 0 H VAL A 48 9.502 -11.392 23.868 1.00 62.33 H new ATOM 0 HA VAL A 48 10.398 -12.926 21.515 1.00 40.41 H new ATOM 0 HB VAL A 48 11.762 -13.143 23.617 1.00 11.01 H new ATOM 0 HG11 VAL A 48 10.810 -14.375 25.522 1.00 61.40 H new ATOM 0 HG12 VAL A 48 9.971 -12.830 25.247 1.00 61.40 H new ATOM 0 HG13 VAL A 48 9.216 -14.357 24.732 1.00 61.40 H new ATOM 0 HG21 VAL A 48 11.811 -15.606 23.627 1.00 30.33 H new ATOM 0 HG22 VAL A 48 10.258 -15.636 22.758 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.703 -14.955 21.974 1.00 30.33 H new ATOM 733 N ASN A 49 8.481 -14.624 21.569 1.00 53.04 N ATOM 734 CA ASN A 49 7.237 -15.365 21.399 1.00 3.42 C ATOM 735 C ASN A 49 7.062 -16.399 22.508 1.00 15.14 C ATOM 736 O ASN A 49 6.942 -17.594 22.243 1.00 41.55 O ATOM 737 CB ASN A 49 7.213 -16.056 20.035 1.00 63.41 C ATOM 738 CG ASN A 49 8.469 -16.865 19.774 1.00 20.23 C ATOM 739 OD1 ASN A 49 9.242 -17.144 20.692 1.00 0.21 O ATOM 740 ND2 ASN A 49 8.677 -17.248 18.520 1.00 2.13 N ATOM 0 H ASN A 49 9.250 -14.951 20.984 1.00 53.04 H new ATOM 0 HA ASN A 49 6.411 -14.656 21.455 1.00 3.42 H new ATOM 0 HB2 ASN A 49 6.344 -16.711 19.978 1.00 63.41 H new ATOM 0 HB3 ASN A 49 7.098 -15.306 19.253 1.00 63.41 H new ATOM 0 HD21 ASN A 49 9.504 -17.796 18.285 1.00 2.13 H new ATOM 0 HD22 ASN A 49 8.010 -16.994 17.792 1.00 2.13 H new ATOM 747 N SER A 50 7.049 -15.928 23.751 1.00 44.25 N ATOM 748 CA SER A 50 6.893 -16.810 24.901 1.00 32.14 C ATOM 749 C SER A 50 5.459 -17.323 25.002 1.00 64.13 C ATOM 750 O SER A 50 4.656 -17.142 24.086 1.00 43.22 O ATOM 751 CB SER A 50 7.277 -16.079 26.189 1.00 24.20 C ATOM 752 OG SER A 50 6.363 -15.033 26.472 1.00 2.44 O ATOM 0 H SER A 50 7.145 -14.940 23.987 1.00 44.25 H new ATOM 0 HA SER A 50 7.557 -17.663 24.765 1.00 32.14 H new ATOM 0 HB2 SER A 50 7.296 -16.784 27.020 1.00 24.20 H new ATOM 0 HB3 SER A 50 8.283 -15.671 26.094 1.00 24.20 H new ATOM 0 HG SER A 50 5.646 -15.372 27.048 1.00 2.44 H new ATOM 758 N THR A 51 5.144 -17.964 26.122 1.00 5.13 N ATOM 759 CA THR A 51 3.808 -18.505 26.345 1.00 65.34 C ATOM 760 C THR A 51 2.890 -17.460 26.969 1.00 50.11 C ATOM 761 O THR A 51 3.347 -16.549 27.660 1.00 60.11 O ATOM 762 CB THR A 51 3.849 -19.747 27.254 1.00 55.53 C ATOM 763 OG1 THR A 51 5.133 -20.374 27.170 1.00 72.33 O ATOM 764 CG2 THR A 51 2.766 -20.741 26.861 1.00 1.44 C ATOM 0 H THR A 51 5.796 -18.122 26.890 1.00 5.13 H new ATOM 0 HA THR A 51 3.416 -18.793 25.370 1.00 65.34 H new ATOM 0 HB THR A 51 3.670 -19.425 28.280 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.151 -21.162 27.752 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.814 -21.610 27.517 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.788 -20.269 26.955 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.919 -21.056 25.829 1.00 1.44 H new ATOM 772 N LEU A 52 1.591 -17.599 26.723 1.00 33.00 N ATOM 773 CA LEU A 52 0.607 -16.667 27.263 1.00 60.43 C ATOM 774 C LEU A 52 -0.484 -17.410 28.026 1.00 61.44 C ATOM 775 O LEU A 52 -1.115 -18.325 27.498 1.00 62.04 O ATOM 776 CB LEU A 52 -0.015 -15.842 26.135 1.00 25.32 C ATOM 777 CG LEU A 52 0.886 -14.780 25.504 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.722 -15.384 24.387 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.054 -13.617 24.981 1.00 44.14 C ATOM 0 H LEU A 52 1.195 -18.347 26.154 1.00 33.00 H new ATOM 0 HA LEU A 52 1.118 -15.998 27.955 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.342 -16.525 25.351 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.907 -15.350 26.522 1.00 25.32 H new ATOM 0 HG LEU A 52 1.561 -14.402 26.271 1.00 24.22 H new ATOM 0 HD11 LEU A 52 2.357 -14.613 23.950 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.346 -16.182 24.790 1.00 0.43 H new ATOM 0 HD13 LEU A 52 1.064 -15.790 23.619 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.712 -12.871 24.535 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -0.646 -13.980 24.228 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -0.500 -13.167 25.805 1.00 44.14 H new ATOM 791 N LYS A 53 -0.704 -17.009 29.275 1.00 74.15 N ATOM 792 CA LYS A 53 -1.721 -17.633 30.112 1.00 74.21 C ATOM 793 C LYS A 53 -3.026 -16.845 30.060 1.00 31.10 C ATOM 794 O LYS A 53 -3.058 -15.657 30.384 1.00 13.00 O ATOM 795 CB LYS A 53 -1.230 -17.734 31.557 1.00 14.13 C ATOM 796 CG LYS A 53 -2.293 -18.217 32.529 1.00 13.04 C ATOM 797 CD LYS A 53 -1.718 -18.445 33.916 1.00 71.31 C ATOM 798 CE LYS A 53 -1.878 -17.213 34.795 1.00 44.24 C ATOM 799 NZ LYS A 53 -0.789 -17.108 35.805 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.190 -16.254 29.729 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.907 -18.636 29.728 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.379 -18.414 31.596 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.872 -16.756 31.879 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.097 -17.484 32.584 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.731 -19.144 32.159 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.217 -19.294 34.383 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.662 -18.701 33.836 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -1.882 -16.319 34.171 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.842 -17.252 35.303 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -0.933 -16.256 36.384 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -0.801 -17.949 36.417 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 0.129 -17.046 35.320 1.00 24.22 H new ATOM 813 N ILE A 54 -4.100 -17.514 29.654 1.00 64.31 N ATOM 814 CA ILE A 54 -5.408 -16.877 29.564 1.00 34.23 C ATOM 815 C ILE A 54 -6.429 -17.591 30.442 1.00 24.45 C ATOM 816 O ILE A 54 -6.481 -18.821 30.481 1.00 52.53 O ATOM 817 CB ILE A 54 -5.923 -16.851 28.112 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.939 -16.102 27.212 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.301 -16.209 28.051 1.00 55.33 C ATOM 820 CD1 ILE A 54 -5.206 -16.292 25.736 1.00 73.40 C ATOM 0 H ILE A 54 -4.090 -18.497 29.382 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.285 -15.852 29.915 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.005 -17.877 27.752 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.982 -15.038 27.447 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.926 -16.438 27.436 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.652 -16.198 27.019 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.997 -16.782 28.664 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.243 -15.187 28.426 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -4.470 -15.733 25.158 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -5.135 -17.351 25.487 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -6.206 -15.930 25.498 1.00 73.40 H new ATOM 832 N THR A 55 -7.244 -16.811 31.147 1.00 53.10 N ATOM 833 CA THR A 55 -8.265 -17.368 32.024 1.00 62.11 C ATOM 834 C THR A 55 -9.496 -16.469 32.076 1.00 50.41 C ATOM 835 O THR A 55 -9.380 -15.244 32.135 1.00 11.34 O ATOM 836 CB THR A 55 -7.730 -17.568 33.454 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.497 -16.298 34.073 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.439 -18.374 33.439 1.00 13.32 C ATOM 0 H THR A 55 -7.216 -15.792 31.127 1.00 53.10 H new ATOM 0 HA THR A 55 -8.543 -18.337 31.609 1.00 62.11 H new ATOM 0 HB THR A 55 -8.478 -18.118 34.025 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.159 -16.435 34.983 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.079 -18.503 34.460 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.625 -19.351 32.994 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.687 -17.846 32.853 1.00 13.32 H new ATOM 846 N TYR A 56 -10.673 -17.083 32.055 1.00 11.42 N ATOM 847 CA TYR A 56 -11.925 -16.338 32.099 1.00 11.02 C ATOM 848 C TYR A 56 -12.890 -16.949 33.110 1.00 62.40 C ATOM 849 O TYR A 56 -13.289 -18.108 32.981 1.00 41.44 O ATOM 850 CB TYR A 56 -12.574 -16.307 30.714 1.00 44.12 C ATOM 851 CG TYR A 56 -13.828 -15.466 30.650 1.00 65.43 C ATOM 852 CD1 TYR A 56 -13.835 -14.158 31.120 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.006 -15.978 30.122 1.00 4.15 C ATOM 854 CE1 TYR A 56 -14.980 -13.386 31.065 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.154 -15.213 30.061 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.137 -13.917 30.534 1.00 31.42 C ATOM 857 OH TYR A 56 -17.279 -13.152 30.477 1.00 41.25 O ATOM 0 H TYR A 56 -10.786 -18.096 32.008 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.699 -15.318 32.411 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -11.852 -15.923 29.993 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -12.815 -17.326 30.412 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -12.931 -13.738 31.535 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.025 -16.993 29.752 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -14.969 -12.372 31.436 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.061 -15.627 29.645 1.00 41.03 H new ATOM 0 HH TYR A 56 -17.088 -12.313 30.007 1.00 41.25 H new ATOM 867 N ILE A 57 -13.260 -16.164 34.115 1.00 62.21 N ATOM 868 CA ILE A 57 -14.178 -16.627 35.147 1.00 35.22 C ATOM 869 C ILE A 57 -15.435 -17.235 34.534 1.00 41.02 C ATOM 870 O ILE A 57 -16.193 -16.554 33.844 1.00 74.23 O ATOM 871 CB ILE A 57 -14.585 -15.482 36.094 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.612 -15.975 37.115 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.141 -14.309 35.299 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.123 -17.136 37.952 1.00 34.03 C ATOM 0 H ILE A 57 -12.938 -15.204 34.237 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.650 -17.390 35.718 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.700 -15.144 36.632 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -15.881 -15.150 37.775 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -16.520 -16.273 36.590 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.424 -13.508 35.982 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.381 -13.945 34.608 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.017 -14.633 34.737 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -15.903 -17.433 38.654 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -14.881 -17.977 37.302 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -14.233 -16.837 38.505 1.00 34.03 H new ATOM 886 N GLY A 58 -15.651 -18.521 34.791 1.00 41.22 N ATOM 887 CA GLY A 58 -16.818 -19.199 34.258 1.00 34.45 C ATOM 888 C GLY A 58 -16.465 -20.498 33.561 1.00 45.03 C ATOM 889 O GLY A 58 -17.030 -21.548 33.867 1.00 23.42 O ATOM 0 H GLY A 58 -15.038 -19.106 35.359 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.518 -19.403 35.069 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.328 -18.540 33.555 1.00 34.45 H new ATOM 893 N TYR A 59 -15.531 -20.428 32.619 1.00 61.23 N ATOM 894 CA TYR A 59 -15.107 -21.607 31.874 1.00 30.13 C ATOM 895 C TYR A 59 -13.686 -22.011 32.255 1.00 1.25 C ATOM 896 O TYR A 59 -12.984 -21.277 32.952 1.00 60.34 O ATOM 897 CB TYR A 59 -15.188 -21.341 30.370 1.00 42.25 C ATOM 898 CG TYR A 59 -16.602 -21.203 29.854 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.129 -22.124 28.957 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.412 -20.152 30.264 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.420 -22.001 28.482 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.706 -20.022 29.797 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.205 -20.950 28.906 1.00 4.31 C ATOM 904 OH TYR A 59 -20.492 -20.822 28.437 1.00 24.41 O ATOM 0 H TYR A 59 -15.053 -19.567 32.353 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.778 -22.427 32.128 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.636 -20.429 30.141 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.694 -22.155 29.839 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.518 -22.951 28.625 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.024 -19.423 30.960 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.812 -22.724 27.782 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.323 -19.199 30.127 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.908 -20.029 28.835 1.00 24.41 H new ATOM 914 N LYS A 60 -13.267 -23.184 31.793 1.00 52.23 N ATOM 915 CA LYS A 60 -11.929 -23.688 32.081 1.00 72.32 C ATOM 916 C LYS A 60 -10.863 -22.742 31.539 1.00 51.35 C ATOM 917 O LYS A 60 -11.106 -21.951 30.628 1.00 73.04 O ATOM 918 CB LYS A 60 -11.746 -25.082 31.476 1.00 13.13 C ATOM 919 CG LYS A 60 -12.389 -26.189 32.292 1.00 75.30 C ATOM 920 CD LYS A 60 -11.800 -27.548 31.950 1.00 4.44 C ATOM 921 CE LYS A 60 -12.136 -28.584 33.011 1.00 2.10 C ATOM 922 NZ LYS A 60 -11.999 -29.973 32.493 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.835 -23.805 31.217 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.816 -23.751 33.163 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.168 -25.091 30.471 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.680 -25.288 31.376 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.249 -25.988 33.354 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.463 -26.200 32.109 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -12.181 -27.878 30.984 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.718 -27.463 31.853 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.479 -28.450 33.870 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -13.156 -28.426 33.362 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -11.765 -30.614 33.277 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -12.895 -30.271 32.058 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -11.241 -30.005 31.781 1.00 3.41 H new ATOM 936 N PRO A 61 -9.653 -22.822 32.112 1.00 20.42 N ATOM 937 CA PRO A 61 -8.524 -21.981 31.701 1.00 52.34 C ATOM 938 C PRO A 61 -8.003 -22.349 30.316 1.00 43.11 C ATOM 939 O PRO A 61 -8.344 -23.398 29.771 1.00 71.32 O ATOM 940 CB PRO A 61 -7.463 -22.267 32.766 1.00 12.55 C ATOM 941 CG PRO A 61 -7.795 -23.626 33.277 1.00 64.21 C ATOM 942 CD PRO A 61 -9.292 -23.742 33.205 1.00 62.33 C ATOM 0 HA PRO A 61 -8.802 -20.930 31.630 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.459 -22.238 32.342 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.494 -21.526 33.564 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.315 -24.397 32.675 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.443 -23.755 34.300 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.606 -24.764 32.991 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.763 -23.454 34.145 1.00 62.33 H new ATOM 950 N VAL A 62 -7.171 -21.479 29.752 1.00 41.12 N ATOM 951 CA VAL A 62 -6.601 -21.713 28.431 1.00 22.22 C ATOM 952 C VAL A 62 -5.238 -21.042 28.294 1.00 13.54 C ATOM 953 O VAL A 62 -5.096 -19.842 28.535 1.00 74.11 O ATOM 954 CB VAL A 62 -7.531 -21.194 27.318 1.00 23.31 C ATOM 955 CG1 VAL A 62 -8.821 -21.998 27.282 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.820 -19.713 27.513 1.00 33.21 C ATOM 0 H VAL A 62 -6.877 -20.606 30.190 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.485 -22.791 28.323 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.027 -21.319 26.359 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.465 -21.617 26.490 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.591 -23.046 27.090 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -9.333 -21.908 28.240 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -8.478 -19.363 26.718 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -8.304 -19.561 28.478 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.885 -19.153 27.483 1.00 33.21 H new ATOM 966 N THR A 63 -4.236 -21.823 27.904 1.00 11.33 N ATOM 967 CA THR A 63 -2.884 -21.305 27.735 1.00 11.40 C ATOM 968 C THR A 63 -2.354 -21.600 26.337 1.00 54.21 C ATOM 969 O THR A 63 -2.460 -22.723 25.844 1.00 35.44 O ATOM 970 CB THR A 63 -1.919 -21.905 28.776 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.063 -23.329 28.812 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.186 -21.326 30.156 1.00 60.11 C ATOM 0 H THR A 63 -4.335 -22.817 27.699 1.00 11.33 H new ATOM 0 HA THR A 63 -2.937 -20.226 27.880 1.00 11.40 H new ATOM 0 HB THR A 63 -0.900 -21.652 28.485 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.446 -23.704 29.474 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.493 -21.764 30.875 1.00 60.11 H new ATOM 0 HG22 THR A 63 -2.047 -20.245 30.130 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.210 -21.553 30.454 1.00 60.11 H new ATOM 980 N VAL A 64 -1.779 -20.583 25.700 1.00 54.51 N ATOM 981 CA VAL A 64 -1.229 -20.735 24.359 1.00 53.21 C ATOM 982 C VAL A 64 -0.087 -19.753 24.120 1.00 13.32 C ATOM 983 O VAL A 64 0.010 -18.721 24.784 1.00 10.04 O ATOM 984 CB VAL A 64 -2.309 -20.520 23.282 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.293 -21.679 23.275 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.030 -19.199 23.508 1.00 14.45 C ATOM 0 H VAL A 64 -1.683 -19.646 26.092 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.850 -21.754 24.285 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.823 -20.481 22.307 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.049 -21.510 22.508 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.761 -22.606 23.062 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.775 -21.753 24.250 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.790 -19.063 22.738 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.505 -19.207 24.489 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.313 -18.380 23.459 1.00 14.45 H new ATOM 996 N LYS A 65 0.779 -20.083 23.167 1.00 23.50 N ATOM 997 CA LYS A 65 1.915 -19.230 22.837 1.00 33.44 C ATOM 998 C LYS A 65 1.507 -18.132 21.860 1.00 51.13 C ATOM 999 O LYS A 65 0.541 -18.282 21.113 1.00 14.12 O ATOM 1000 CB LYS A 65 3.048 -20.066 22.236 1.00 53.40 C ATOM 1001 CG LYS A 65 3.376 -21.312 23.040 1.00 44.43 C ATOM 1002 CD LYS A 65 4.579 -22.044 22.467 1.00 43.14 C ATOM 1003 CE LYS A 65 5.879 -21.326 22.798 1.00 1.42 C ATOM 1004 NZ LYS A 65 7.067 -22.188 22.552 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.716 -20.935 22.610 1.00 23.50 H new ATOM 0 HA LYS A 65 2.264 -18.761 23.757 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.774 -20.359 21.223 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.942 -19.448 22.158 1.00 53.40 H new ATOM 0 HG2 LYS A 65 3.576 -21.036 24.075 1.00 44.43 H new ATOM 0 HG3 LYS A 65 2.513 -21.978 23.049 1.00 44.43 H new ATOM 0 HD2 LYS A 65 4.612 -23.059 22.864 1.00 43.14 H new ATOM 0 HD3 LYS A 65 4.474 -22.128 21.385 1.00 43.14 H new ATOM 0 HE2 LYS A 65 5.957 -20.420 22.197 1.00 1.42 H new ATOM 0 HE3 LYS A 65 5.866 -21.015 23.843 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 7.932 -21.662 22.790 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 7.006 -23.041 23.145 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 7.094 -22.464 21.550 1.00 70.32 H new ATOM 1018 N ALA A 66 2.248 -17.030 21.872 1.00 25.33 N ATOM 1019 CA ALA A 66 1.964 -15.909 20.985 1.00 72.41 C ATOM 1020 C ALA A 66 2.309 -16.252 19.539 1.00 62.14 C ATOM 1021 O ALA A 66 3.376 -16.794 19.257 1.00 13.22 O ATOM 1022 CB ALA A 66 2.733 -14.675 21.433 1.00 71.52 C ATOM 0 H ALA A 66 3.050 -16.889 22.486 1.00 25.33 H new ATOM 0 HA ALA A 66 0.896 -15.698 21.037 1.00 72.41 H new ATOM 0 HB1 ALA A 66 2.512 -13.845 20.762 1.00 71.52 H new ATOM 0 HB2 ALA A 66 2.436 -14.410 22.448 1.00 71.52 H new ATOM 0 HB3 ALA A 66 3.802 -14.885 21.411 1.00 71.52 H new ATOM 1028 N ALA A 67 1.395 -15.932 18.628 1.00 60.43 N ATOM 1029 CA ALA A 67 1.603 -16.205 17.211 1.00 33.34 C ATOM 1030 C ALA A 67 0.744 -15.291 16.344 1.00 63.13 C ATOM 1031 O ALA A 67 0.005 -14.451 16.854 1.00 55.04 O ATOM 1032 CB ALA A 67 1.298 -17.665 16.905 1.00 32.31 C ATOM 0 H ALA A 67 0.505 -15.484 18.846 1.00 60.43 H new ATOM 0 HA ALA A 67 2.649 -16.006 16.978 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.457 -17.855 15.844 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.957 -18.305 17.491 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.261 -17.881 17.161 1.00 32.31 H new ATOM 1038 N ALA A 68 0.850 -15.459 15.030 1.00 60.23 N ATOM 1039 CA ALA A 68 0.082 -14.650 14.092 1.00 73.13 C ATOM 1040 C ALA A 68 -1.402 -14.664 14.442 1.00 2.42 C ATOM 1041 O ALA A 68 -2.005 -13.616 14.672 1.00 53.41 O ATOM 1042 CB ALA A 68 0.297 -15.143 12.669 1.00 13.31 C ATOM 0 H ALA A 68 1.460 -16.148 14.591 1.00 60.23 H new ATOM 0 HA ALA A 68 0.435 -13.621 14.164 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.283 -14.529 11.980 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.355 -15.073 12.416 1.00 13.31 H new ATOM 0 HB3 ALA A 68 -0.027 -16.181 12.591 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.984 -15.858 14.477 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.399 -16.008 14.798 1.00 43.13 C ATOM 1050 C ILE A 69 -3.641 -17.253 15.644 1.00 23.51 C ATOM 1051 O ILE A 69 -3.490 -18.379 15.169 1.00 14.30 O ATOM 1052 CB ILE A 69 -4.260 -16.091 13.524 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -4.076 -14.833 12.675 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.725 -16.284 13.886 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.580 -13.573 13.344 1.00 23.11 C ATOM 0 H ILE A 69 -1.499 -16.735 14.287 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.689 -15.124 15.365 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.935 -16.951 12.939 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -3.018 -14.713 12.443 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -4.598 -14.965 11.727 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -6.321 -16.341 12.975 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.841 -17.207 14.453 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -6.065 -15.442 14.490 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -4.417 -12.721 12.684 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -5.645 -13.673 13.552 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -4.041 -13.417 14.279 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.019 -17.043 16.901 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.286 -18.148 17.814 1.00 74.42 C ATOM 1069 C VAL A 70 -5.710 -18.084 18.354 1.00 52.51 C ATOM 1070 O VAL A 70 -6.110 -17.091 18.962 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.300 -18.149 18.996 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.327 -16.810 19.717 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -3.620 -19.286 19.956 1.00 74.33 C ATOM 0 H VAL A 70 -4.147 -16.118 17.310 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.159 -19.068 17.243 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.294 -18.304 18.606 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.623 -16.831 20.549 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.046 -16.018 19.023 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -4.331 -16.621 20.096 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.913 -19.272 20.786 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -4.633 -19.164 20.340 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.544 -20.238 19.431 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.471 -19.149 18.129 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.852 -19.214 18.593 1.00 11.52 C ATOM 1085 C ASN A 71 -8.049 -20.384 19.553 1.00 55.40 C ATOM 1086 O ASN A 71 -7.917 -21.546 19.168 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.806 -19.349 17.405 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.488 -18.367 16.293 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -7.440 -18.455 15.653 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.393 -17.424 16.060 1.00 50.40 N ATOM 0 H ASN A 71 -6.155 -19.979 17.628 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.074 -18.289 19.125 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.754 -20.365 17.014 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.829 -19.190 17.745 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.234 -16.734 15.326 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -10.248 -17.389 16.615 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.368 -20.068 20.805 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.585 -21.092 21.820 1.00 24.20 C ATOM 1099 C VAL A 72 -10.042 -21.121 22.268 1.00 31.43 C ATOM 1100 O VAL A 72 -10.603 -20.096 22.658 1.00 20.30 O ATOM 1101 CB VAL A 72 -7.685 -20.864 23.049 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -7.757 -22.055 23.991 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.251 -20.600 22.616 1.00 24.11 C ATOM 0 H VAL A 72 -8.482 -19.111 21.140 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.329 -22.049 21.365 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.045 -19.986 23.585 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.115 -21.876 24.853 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -8.785 -22.192 24.326 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.423 -22.952 23.470 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -5.628 -20.441 23.497 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -5.876 -21.457 22.057 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.219 -19.712 21.984 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.649 -22.301 22.210 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.042 -22.465 22.610 1.00 72.02 C ATOM 1115 C LEU A 73 -12.157 -22.643 24.122 1.00 3.23 C ATOM 1116 O LEU A 73 -11.337 -23.322 24.741 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.663 -23.666 21.895 1.00 3.23 C ATOM 1118 CG LEU A 73 -13.220 -23.400 20.496 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -14.668 -22.940 20.578 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -12.370 -22.366 19.771 1.00 64.32 C ATOM 0 H LEU A 73 -10.199 -23.158 21.890 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.583 -21.563 22.326 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -11.909 -24.449 21.821 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.468 -24.057 22.517 1.00 3.23 H new ATOM 0 HG LEU A 73 -13.187 -24.330 19.929 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -15.049 -22.755 19.573 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -15.269 -23.713 21.057 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -14.725 -22.022 21.162 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -12.781 -22.189 18.777 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -12.371 -21.433 20.335 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -11.348 -22.734 19.681 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.180 -22.032 24.708 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.404 -22.125 26.147 1.00 22.25 C ATOM 1134 C LEU A 74 -14.251 -23.347 26.488 1.00 10.24 C ATOM 1135 O LEU A 74 -15.373 -23.489 26.006 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.089 -20.857 26.660 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.381 -20.128 27.802 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.945 -19.807 27.422 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.135 -18.857 28.171 1.00 34.41 C ATOM 0 H LEU A 74 -13.868 -21.467 24.210 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.435 -22.229 26.634 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.198 -20.164 25.826 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.094 -21.119 26.991 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.366 -20.784 28.672 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.457 -19.288 28.247 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.410 -20.732 27.208 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.936 -19.170 26.538 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.617 -18.350 28.986 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.182 -18.197 27.305 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.146 -19.113 28.487 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.704 -24.225 27.323 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.410 -25.434 27.729 1.00 73.42 C ATOM 1153 C GLU A 75 -15.234 -25.186 28.990 1.00 44.11 C ATOM 1154 O GLU A 75 -14.770 -24.540 29.929 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.419 -26.574 27.971 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.997 -27.953 27.700 1.00 21.34 C ATOM 1157 CD GLU A 75 -13.038 -29.069 28.061 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.822 -28.799 28.157 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -13.502 -30.213 28.249 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.775 -24.122 27.731 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.087 -25.716 26.923 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.545 -26.425 27.337 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.074 -26.531 29.004 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -14.919 -28.074 28.268 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -14.259 -28.032 26.645 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.458 -25.703 29.001 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.347 -25.536 30.145 1.00 55.40 C ATOM 1168 C GLU A 76 -16.704 -26.082 31.418 1.00 52.44 C ATOM 1169 O GLU A 76 -16.027 -27.109 31.392 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.680 -26.242 29.890 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.530 -27.622 29.274 1.00 75.12 C ATOM 1172 CD GLU A 76 -18.746 -27.616 27.772 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -17.815 -27.218 27.041 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -19.845 -28.011 27.330 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.857 -26.241 28.231 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.529 -24.470 30.279 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -19.220 -26.331 30.832 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.289 -25.623 29.231 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -17.534 -28.007 29.493 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -19.244 -28.303 29.738 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.923 -25.386 32.528 1.00 24.14 N ATOM 1182 CA ASP A 77 -16.366 -25.801 33.811 1.00 14.13 C ATOM 1183 C ASP A 77 -17.278 -26.813 34.497 1.00 2.45 C ATOM 1184 O ASP A 77 -18.502 -26.729 34.399 1.00 35.31 O ATOM 1185 CB ASP A 77 -16.158 -24.586 34.717 1.00 0.41 C ATOM 1186 CG ASP A 77 -14.720 -24.106 34.721 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.809 -24.959 34.656 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -14.506 -22.878 34.788 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.481 -24.533 32.566 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.402 -26.275 33.625 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -16.808 -23.775 34.387 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -16.456 -24.840 35.734 1.00 0.41 H new ATOM 1193 N THR A 78 -16.673 -27.771 35.192 1.00 73.11 N ATOM 1194 CA THR A 78 -17.429 -28.801 35.893 1.00 32.45 C ATOM 1195 C THR A 78 -16.507 -29.703 36.706 1.00 35.21 C ATOM 1196 O THR A 78 -15.338 -29.880 36.363 1.00 74.43 O ATOM 1197 CB THR A 78 -18.242 -29.667 34.913 1.00 13.32 C ATOM 1198 OG1 THR A 78 -18.781 -30.804 35.594 1.00 10.33 O ATOM 1199 CG2 THR A 78 -17.374 -30.130 33.752 1.00 23.12 C ATOM 0 H THR A 78 -15.661 -27.855 35.284 1.00 73.11 H new ATOM 0 HA THR A 78 -18.115 -28.286 36.566 1.00 32.45 H new ATOM 0 HB THR A 78 -19.057 -29.061 34.518 1.00 13.32 H new ATOM 0 HG1 THR A 78 -19.298 -31.348 34.964 1.00 10.33 H new ATOM 0 HG21 THR A 78 -17.970 -30.740 33.073 1.00 23.12 H new ATOM 0 HG22 THR A 78 -16.989 -29.262 33.217 1.00 23.12 H new ATOM 0 HG23 THR A 78 -16.541 -30.720 34.133 1.00 23.12 H new ATOM 1207 N GLN A 79 -17.041 -30.270 37.783 1.00 71.11 N ATOM 1208 CA GLN A 79 -16.265 -31.154 38.645 1.00 23.05 C ATOM 1209 C GLN A 79 -16.216 -32.567 38.072 1.00 15.21 C ATOM 1210 O GLN A 79 -17.252 -33.199 37.866 1.00 62.32 O ATOM 1211 CB GLN A 79 -16.861 -31.182 40.053 1.00 33.22 C ATOM 1212 CG GLN A 79 -15.926 -31.767 41.098 1.00 21.24 C ATOM 1213 CD GLN A 79 -16.424 -31.553 42.514 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -16.419 -30.433 43.024 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -16.861 -32.630 43.157 1.00 4.20 N ATOM 0 H GLN A 79 -18.007 -30.133 38.079 1.00 71.11 H new ATOM 0 HA GLN A 79 -15.247 -30.767 38.698 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -17.129 -30.167 40.345 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -17.783 -31.763 40.037 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -15.808 -32.835 40.916 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -14.940 -31.314 40.992 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -16.847 -33.540 42.696 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -17.210 -32.547 44.112 1.00 4.20 H new ATOM 1224 N MET A 80 -15.007 -33.056 37.818 1.00 10.55 N ATOM 1225 CA MET A 80 -14.824 -34.395 37.270 1.00 33.12 C ATOM 1226 C MET A 80 -15.206 -35.458 38.293 1.00 54.10 C ATOM 1227 O MET A 80 -14.456 -35.731 39.230 1.00 32.25 O ATOM 1228 CB MET A 80 -13.373 -34.594 36.827 1.00 43.24 C ATOM 1229 CG MET A 80 -12.983 -33.752 35.624 1.00 33.52 C ATOM 1230 SD MET A 80 -13.346 -34.568 34.058 1.00 41.55 S ATOM 1231 CE MET A 80 -13.498 -33.156 32.966 1.00 74.23 C ATOM 0 H MET A 80 -14.140 -32.545 37.983 1.00 10.55 H new ATOM 0 HA MET A 80 -15.478 -34.499 36.404 1.00 33.12 H new ATOM 0 HB2 MET A 80 -12.712 -34.352 37.659 1.00 43.24 H new ATOM 0 HB3 MET A 80 -13.215 -35.646 36.590 1.00 43.24 H new ATOM 0 HG2 MET A 80 -13.513 -32.800 35.665 1.00 33.52 H new ATOM 0 HG3 MET A 80 -11.918 -33.526 35.673 1.00 33.52 H new ATOM 0 HE1 MET A 80 -13.723 -33.499 31.956 1.00 74.23 H new ATOM 0 HE2 MET A 80 -14.302 -32.510 33.317 1.00 74.23 H new ATOM 0 HE3 MET A 80 -12.561 -32.599 32.960 1.00 74.23 H new ATOM 1241 N VAL A 81 -16.380 -36.056 38.110 1.00 0.53 N ATOM 1242 CA VAL A 81 -16.862 -37.090 39.018 1.00 1.25 C ATOM 1243 C VAL A 81 -18.100 -37.780 38.456 1.00 62.43 C ATOM 1244 O VAL A 81 -19.033 -37.123 37.994 1.00 3.11 O ATOM 1245 CB VAL A 81 -17.194 -36.509 40.404 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -18.322 -35.494 40.301 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -17.556 -37.623 41.376 1.00 54.24 C ATOM 0 H VAL A 81 -17.015 -35.842 37.341 1.00 0.53 H new ATOM 0 HA VAL A 81 -16.059 -37.820 39.123 1.00 1.25 H new ATOM 0 HB VAL A 81 -16.310 -35.998 40.785 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -18.543 -35.094 41.291 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -18.021 -34.681 39.640 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -19.212 -35.978 39.899 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -17.788 -37.194 42.351 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -18.425 -38.164 41.002 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -16.715 -38.309 41.472 1.00 54.24 H new ATOM 1257 N ASP A 82 -18.102 -39.107 38.502 1.00 21.33 N ATOM 1258 CA ASP A 82 -19.228 -39.888 38.000 1.00 52.35 C ATOM 1259 C ASP A 82 -19.829 -40.749 39.106 1.00 42.13 C ATOM 1260 O ASP A 82 -20.284 -41.865 38.858 1.00 40.40 O ATOM 1261 CB ASP A 82 -18.784 -40.771 36.833 1.00 62.52 C ATOM 1262 CG ASP A 82 -17.972 -41.967 37.289 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -17.022 -41.775 38.077 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -18.286 -43.095 36.857 1.00 1.31 O1- ATOM 0 H ASP A 82 -17.337 -39.665 38.881 1.00 21.33 H new ATOM 0 HA ASP A 82 -19.992 -39.194 37.650 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -19.662 -41.118 36.289 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -18.192 -40.177 36.137 1.00 62.52 H new ATOM 1269 N GLU A 83 -19.824 -40.224 40.327 1.00 63.12 N ATOM 1270 CA GLU A 83 -20.366 -40.947 41.472 1.00 23.02 C ATOM 1271 C GLU A 83 -21.672 -40.316 41.945 1.00 10.51 C ATOM 1272 O GLU A 83 -21.687 -39.527 42.890 1.00 50.40 O ATOM 1273 CB GLU A 83 -19.352 -40.968 42.618 1.00 13.42 C ATOM 1274 CG GLU A 83 -19.723 -41.921 43.742 1.00 3.23 C ATOM 1275 CD GLU A 83 -18.814 -41.783 44.948 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -18.934 -40.768 45.667 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -17.984 -42.688 45.171 1.00 64.43 O1- ATOM 0 H GLU A 83 -19.451 -39.301 40.549 1.00 63.12 H new ATOM 0 HA GLU A 83 -20.570 -41.971 41.159 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -18.376 -41.248 42.223 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -19.254 -39.961 43.024 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -20.753 -41.735 44.045 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -19.679 -42.946 43.374 1.00 3.23 H new ATOM 1284 N VAL A 84 -22.769 -40.669 41.280 1.00 23.40 N ATOM 1285 CA VAL A 84 -24.080 -40.138 41.632 1.00 2.42 C ATOM 1286 C VAL A 84 -24.445 -40.485 43.071 1.00 11.52 C ATOM 1287 O VAL A 84 -24.221 -41.606 43.527 1.00 34.13 O ATOM 1288 CB VAL A 84 -25.174 -40.676 40.692 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -25.085 -40.008 39.329 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -25.067 -42.188 40.561 1.00 53.25 C ATOM 0 H VAL A 84 -22.775 -41.320 40.495 1.00 23.40 H new ATOM 0 HA VAL A 84 -24.022 -39.055 41.526 1.00 2.42 H new ATOM 0 HB VAL A 84 -26.147 -40.438 41.123 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -25.866 -40.402 38.679 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -25.215 -38.932 39.442 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -24.109 -40.211 38.887 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -25.848 -42.551 39.893 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -24.090 -42.450 40.154 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -25.186 -42.648 41.542 1.00 53.25 H new ATOM 1300 N VAL A 85 -25.009 -39.514 43.783 1.00 23.03 N ATOM 1301 CA VAL A 85 -25.409 -39.717 45.170 1.00 53.43 C ATOM 1302 C VAL A 85 -26.790 -39.130 45.437 1.00 23.44 C ATOM 1303 O VAL A 85 -27.061 -37.976 45.102 1.00 52.44 O ATOM 1304 CB VAL A 85 -24.396 -39.082 46.143 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -24.783 -39.378 47.585 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -22.990 -39.580 45.848 1.00 13.25 C ATOM 0 H VAL A 85 -25.199 -38.579 43.422 1.00 23.03 H new ATOM 0 HA VAL A 85 -25.438 -40.794 45.337 1.00 53.43 H new ATOM 0 HB VAL A 85 -24.411 -38.001 46.002 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -24.057 -38.922 48.258 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -25.772 -38.968 47.788 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -24.797 -40.456 47.744 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -22.288 -39.121 46.544 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -22.957 -40.664 45.960 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -22.716 -39.312 44.828 1.00 13.25 H new ATOM 1316 N VAL A 86 -27.661 -39.931 46.043 1.00 13.51 N ATOM 1317 CA VAL A 86 -29.015 -39.492 46.356 1.00 11.22 C ATOM 1318 C VAL A 86 -29.563 -40.225 47.574 1.00 63.12 C ATOM 1319 O VAL A 86 -29.397 -41.439 47.709 1.00 25.30 O ATOM 1320 CB VAL A 86 -29.967 -39.713 45.165 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -30.152 -41.200 44.899 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -31.305 -39.038 45.422 1.00 73.01 C ATOM 0 H VAL A 86 -27.452 -40.888 46.327 1.00 13.51 H new ATOM 0 HA VAL A 86 -28.959 -38.425 46.573 1.00 11.22 H new ATOM 0 HB VAL A 86 -29.523 -39.262 44.277 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -30.827 -41.337 44.055 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -29.187 -41.651 44.669 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -30.574 -41.678 45.783 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -31.966 -39.204 44.571 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -31.758 -39.458 46.320 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -31.152 -37.968 45.559 1.00 73.01 H new ATOM 1332 N THR A 87 -30.218 -39.483 48.460 1.00 32.30 N ATOM 1333 CA THR A 87 -30.791 -40.062 49.669 1.00 63.34 C ATOM 1334 C THR A 87 -32.293 -39.811 49.740 1.00 32.24 C ATOM 1335 O THR A 87 -32.761 -39.008 50.545 1.00 11.13 O ATOM 1336 CB THR A 87 -30.127 -39.491 50.936 1.00 65.24 C ATOM 1337 OG1 THR A 87 -30.292 -38.068 50.977 1.00 1.23 O ATOM 1338 CG2 THR A 87 -28.646 -39.835 50.971 1.00 64.13 C ATOM 0 H THR A 87 -30.365 -38.478 48.363 1.00 32.30 H new ATOM 0 HA THR A 87 -30.606 -41.135 49.623 1.00 63.34 H new ATOM 0 HB THR A 87 -30.609 -39.938 51.806 1.00 65.24 H new ATOM 0 HG1 THR A 87 -31.246 -37.848 50.934 1.00 1.23 H new ATOM 0 HG21 THR A 87 -28.198 -39.422 51.874 1.00 64.13 H new ATOM 0 HG22 THR A 87 -28.524 -40.918 50.968 1.00 64.13 H new ATOM 0 HG23 THR A 87 -28.153 -39.412 50.095 1.00 64.13 H new ATOM 1346 N GLY A 88 -33.046 -40.505 48.892 1.00 61.42 N ATOM 1347 CA GLY A 88 -34.488 -40.345 48.875 1.00 23.00 C ATOM 1348 C GLY A 88 -34.941 -39.284 47.893 1.00 61.32 C ATOM 1349 O GLY A 88 -34.591 -39.329 46.713 1.00 11.31 O ATOM 0 H GLY A 88 -32.682 -41.176 48.216 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -34.953 -41.297 48.617 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -34.833 -40.082 49.875 1.00 23.00 H new ATOM 1353 N TYR A 89 -35.724 -38.326 48.378 1.00 75.33 N ATOM 1354 CA TYR A 89 -36.229 -37.251 47.533 1.00 31.00 C ATOM 1355 C TYR A 89 -36.943 -36.192 48.368 1.00 2.11 C ATOM 1356 O TYR A 89 -37.433 -36.472 49.463 1.00 10.14 O ATOM 1357 CB TYR A 89 -37.184 -37.810 46.476 1.00 63.35 C ATOM 1358 CG TYR A 89 -37.500 -36.832 45.368 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -38.709 -36.147 45.345 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -36.592 -36.592 44.344 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -39.003 -35.252 44.334 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -36.877 -35.699 43.330 1.00 50.14 C ATOM 1363 CZ TYR A 89 -38.084 -35.031 43.330 1.00 73.01 C ATOM 1364 OH TYR A 89 -38.373 -34.141 42.321 1.00 13.23 O ATOM 0 H TYR A 89 -36.022 -38.272 49.352 1.00 75.33 H new ATOM 0 HA TYR A 89 -35.379 -36.785 47.035 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -36.746 -38.709 46.042 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -38.113 -38.110 46.960 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -39.431 -36.317 46.130 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -35.646 -37.113 44.341 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -39.948 -34.728 44.330 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -36.159 -35.525 42.542 1.00 50.14 H new ATOM 0 HH TYR A 89 -37.620 -34.101 41.695 1.00 13.23 H new ATOM 1374 N THR A 90 -36.998 -34.972 47.843 1.00 63.13 N ATOM 1375 CA THR A 90 -37.650 -33.869 48.538 1.00 73.03 C ATOM 1376 C THR A 90 -38.736 -33.240 47.673 1.00 22.02 C ATOM 1377 O THR A 90 -38.522 -32.966 46.493 1.00 3.25 O ATOM 1378 CB THR A 90 -36.637 -32.781 48.942 1.00 65.23 C ATOM 1379 OG1 THR A 90 -35.869 -32.380 47.802 1.00 50.24 O ATOM 1380 CG2 THR A 90 -35.706 -33.288 50.034 1.00 14.03 C ATOM 0 H THR A 90 -36.599 -34.723 46.938 1.00 63.13 H new ATOM 0 HA THR A 90 -38.102 -34.286 49.438 1.00 73.03 H new ATOM 0 HB THR A 90 -37.190 -31.924 49.327 1.00 65.23 H new ATOM 0 HG1 THR A 90 -36.428 -32.425 46.999 1.00 50.24 H new ATOM 0 HG21 THR A 90 -34.999 -32.503 50.303 1.00 14.03 H new ATOM 0 HG22 THR A 90 -36.291 -33.566 50.911 1.00 14.03 H new ATOM 0 HG23 THR A 90 -35.160 -34.159 49.671 1.00 14.03 H new TER 1388 THR A 90