USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 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 26 THR OG1 : rot -12:sc= 0.0732 USER MOD Set 1.2: A 27 THR OG1 : rot 85:sc= 0.834 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.21) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.67 X(o=-0.67,f=-0.45) USER MOD Single : A 37 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.045) USER MOD Single : A 39 THR OG1 : rot 134:sc= 0.918 USER MOD Single : A 43 THR OG1 : rot 150:sc= -0.751 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -1:sc= 0.98 USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -1.19 (180deg=-1.48) USER MOD Single : A 71 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.58) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.977 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00346 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0112 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 3.689 4.533 -0.783 1.00 23.52 N ATOM 2 CA GLY A 19 4.138 5.082 -2.049 1.00 11.44 C ATOM 3 C GLY A 19 3.090 4.962 -3.137 1.00 13.51 C ATOM 4 O GLY A 19 2.438 5.938 -3.511 1.00 61.21 O ATOM 0 HA2 GLY A 19 4.399 6.132 -1.914 1.00 11.44 H new ATOM 0 HA3 GLY A 19 5.045 4.566 -2.364 1.00 11.44 H new ATOM 8 N PRO A 20 2.917 3.742 -3.665 1.00 75.21 N ATOM 9 CA PRO A 20 1.942 3.469 -4.726 1.00 12.14 C ATOM 10 C PRO A 20 0.503 3.566 -4.229 1.00 62.25 C ATOM 11 O PRO A 20 -0.048 2.600 -3.702 1.00 64.35 O ATOM 12 CB PRO A 20 2.267 2.034 -5.146 1.00 22.41 C ATOM 13 CG PRO A 20 2.905 1.423 -3.946 1.00 44.12 C ATOM 14 CD PRO A 20 3.658 2.534 -3.267 1.00 65.44 C ATOM 0 HA PRO A 20 2.011 4.191 -5.539 1.00 12.14 H new ATOM 0 HB2 PRO A 20 1.366 1.492 -5.434 1.00 22.41 H new ATOM 0 HB3 PRO A 20 2.939 2.015 -6.004 1.00 22.41 H new ATOM 0 HG2 PRO A 20 2.155 0.996 -3.280 1.00 44.12 H new ATOM 0 HG3 PRO A 20 3.577 0.613 -4.231 1.00 44.12 H new ATOM 0 HD2 PRO A 20 3.670 2.408 -2.184 1.00 65.44 H new ATOM 0 HD3 PRO A 20 4.697 2.574 -3.594 1.00 65.44 H new ATOM 22 N MET A 21 -0.100 4.737 -4.402 1.00 41.51 N ATOM 23 CA MET A 21 -1.476 4.959 -3.973 1.00 20.21 C ATOM 24 C MET A 21 -2.429 4.926 -5.164 1.00 22.35 C ATOM 25 O MET A 21 -3.625 5.174 -5.019 1.00 33.12 O ATOM 26 CB MET A 21 -1.597 6.299 -3.245 1.00 45.24 C ATOM 27 CG MET A 21 -0.597 6.468 -2.113 1.00 3.20 C ATOM 28 SD MET A 21 -0.731 8.073 -1.301 1.00 60.34 S ATOM 29 CE MET A 21 -1.494 7.605 0.250 1.00 60.41 C ATOM 0 H MET A 21 0.342 5.547 -4.836 1.00 41.51 H new ATOM 0 HA MET A 21 -1.750 4.156 -3.288 1.00 20.21 H new ATOM 0 HB2 MET A 21 -1.460 7.107 -3.963 1.00 45.24 H new ATOM 0 HB3 MET A 21 -2.606 6.396 -2.845 1.00 45.24 H new ATOM 0 HG2 MET A 21 -0.751 5.679 -1.377 1.00 3.20 H new ATOM 0 HG3 MET A 21 0.413 6.346 -2.504 1.00 3.20 H new ATOM 0 HE1 MET A 21 -1.642 8.493 0.865 1.00 60.41 H new ATOM 0 HE2 MET A 21 -2.457 7.134 0.054 1.00 60.41 H new ATOM 0 HE3 MET A 21 -0.847 6.903 0.776 1.00 60.41 H new ATOM 39 N GLU A 22 -1.890 4.618 -6.339 1.00 63.01 N ATOM 40 CA GLU A 22 -2.693 4.554 -7.554 1.00 54.11 C ATOM 41 C GLU A 22 -3.547 3.289 -7.576 1.00 42.21 C ATOM 42 O GLU A 22 -3.159 2.257 -7.030 1.00 5.33 O ATOM 43 CB GLU A 22 -1.793 4.597 -8.791 1.00 31.44 C ATOM 44 CG GLU A 22 -2.552 4.474 -10.101 1.00 35.21 C ATOM 45 CD GLU A 22 -1.944 5.312 -11.209 1.00 31.15 C ATOM 46 OE1 GLU A 22 -2.612 5.496 -12.248 1.00 31.33 O ATOM 47 OE2 GLU A 22 -0.801 5.783 -11.037 1.00 2.53 O ATOM 0 H GLU A 22 -0.901 4.409 -6.475 1.00 63.01 H new ATOM 0 HA GLU A 22 -3.356 5.419 -7.566 1.00 54.11 H new ATOM 0 HB2 GLU A 22 -1.235 5.533 -8.791 1.00 31.44 H new ATOM 0 HB3 GLU A 22 -1.063 3.790 -8.727 1.00 31.44 H new ATOM 0 HG2 GLU A 22 -2.570 3.429 -10.409 1.00 35.21 H new ATOM 0 HG3 GLU A 22 -3.587 4.779 -9.947 1.00 35.21 H new ATOM 54 N GLU A 23 -4.711 3.379 -8.211 1.00 72.12 N ATOM 55 CA GLU A 23 -5.620 2.242 -8.303 1.00 0.20 C ATOM 56 C GLU A 23 -5.068 1.179 -9.249 1.00 12.42 C ATOM 57 O GLU A 23 -5.235 -0.018 -9.019 1.00 50.01 O ATOM 58 CB GLU A 23 -6.999 2.701 -8.782 1.00 61.32 C ATOM 59 CG GLU A 23 -7.652 3.723 -7.867 1.00 73.05 C ATOM 60 CD GLU A 23 -9.165 3.615 -7.858 1.00 22.21 C ATOM 61 OE1 GLU A 23 -9.813 4.297 -8.679 1.00 41.20 O ATOM 62 OE2 GLU A 23 -9.700 2.849 -7.030 1.00 32.30 O ATOM 0 H GLU A 23 -5.047 4.226 -8.669 1.00 72.12 H new ATOM 0 HA GLU A 23 -5.716 1.804 -7.309 1.00 0.20 H new ATOM 0 HB2 GLU A 23 -6.904 3.128 -9.780 1.00 61.32 H new ATOM 0 HB3 GLU A 23 -7.652 1.833 -8.868 1.00 61.32 H new ATOM 0 HG2 GLU A 23 -7.276 3.590 -6.853 1.00 73.05 H new ATOM 0 HG3 GLU A 23 -7.365 4.725 -8.184 1.00 73.05 H new ATOM 69 N ALA A 24 -4.411 1.627 -10.313 1.00 43.15 N ATOM 70 CA ALA A 24 -3.833 0.716 -11.293 1.00 60.15 C ATOM 71 C ALA A 24 -2.593 0.025 -10.737 1.00 21.14 C ATOM 72 O ALA A 24 -2.324 -1.134 -11.049 1.00 44.02 O ATOM 73 CB ALA A 24 -3.492 1.464 -12.574 1.00 14.44 C ATOM 0 H ALA A 24 -4.266 2.615 -10.519 1.00 43.15 H new ATOM 0 HA ALA A 24 -4.574 -0.051 -11.519 1.00 60.15 H new ATOM 0 HB1 ALA A 24 -3.061 0.771 -13.296 1.00 14.44 H new ATOM 0 HB2 ALA A 24 -4.398 1.905 -12.990 1.00 14.44 H new ATOM 0 HB3 ALA A 24 -2.772 2.253 -12.354 1.00 14.44 H new ATOM 79 N ASN A 25 -1.841 0.745 -9.910 1.00 61.23 N ATOM 80 CA ASN A 25 -0.628 0.201 -9.311 1.00 22.42 C ATOM 81 C ASN A 25 -0.960 -0.926 -8.337 1.00 74.13 C ATOM 82 O ASN A 25 -0.172 -1.853 -8.150 1.00 22.24 O ATOM 83 CB ASN A 25 0.147 1.303 -8.587 1.00 0.45 C ATOM 84 CG ASN A 25 0.999 2.128 -9.532 1.00 70.11 C ATOM 85 OD1 ASN A 25 2.224 2.155 -9.417 1.00 44.43 O ATOM 86 ND2 ASN A 25 0.352 2.805 -10.473 1.00 53.31 N ATOM 0 H ASN A 25 -2.051 1.706 -9.640 1.00 61.23 H new ATOM 0 HA ASN A 25 -0.008 -0.204 -10.111 1.00 22.42 H new ATOM 0 HB2 ASN A 25 -0.555 1.957 -8.070 1.00 0.45 H new ATOM 0 HB3 ASN A 25 0.785 0.854 -7.825 1.00 0.45 H new ATOM 0 HD21 ASN A 25 0.872 3.377 -11.138 1.00 53.31 H new ATOM 0 HD22 ASN A 25 -0.665 2.753 -10.531 1.00 53.31 H new ATOM 93 N THR A 26 -2.135 -0.840 -7.720 1.00 23.12 N ATOM 94 CA THR A 26 -2.572 -1.851 -6.766 1.00 12.15 C ATOM 95 C THR A 26 -3.493 -2.870 -7.427 1.00 65.13 C ATOM 96 O THR A 26 -3.649 -3.990 -6.940 1.00 63.42 O ATOM 97 CB THR A 26 -3.305 -1.215 -5.570 1.00 14.44 C ATOM 98 OG1 THR A 26 -4.507 -0.575 -6.015 1.00 62.53 O ATOM 99 CG2 THR A 26 -2.416 -0.200 -4.867 1.00 41.02 C ATOM 0 H THR A 26 -2.800 -0.081 -7.864 1.00 23.12 H new ATOM 0 HA THR A 26 -1.675 -2.355 -6.407 1.00 12.15 H new ATOM 0 HB THR A 26 -3.555 -2.007 -4.864 1.00 14.44 H new ATOM 0 HG1 THR A 26 -4.503 -0.515 -6.993 1.00 62.53 H new ATOM 0 HG21 THR A 26 -2.956 0.236 -4.026 1.00 41.02 H new ATOM 0 HG22 THR A 26 -1.516 -0.695 -4.503 1.00 41.02 H new ATOM 0 HG23 THR A 26 -2.139 0.588 -5.567 1.00 41.02 H new ATOM 107 N THR A 27 -4.101 -2.476 -8.542 1.00 2.42 N ATOM 108 CA THR A 27 -5.006 -3.355 -9.271 1.00 13.24 C ATOM 109 C THR A 27 -4.358 -3.874 -10.549 1.00 33.01 C ATOM 110 O THR A 27 -4.259 -3.169 -11.554 1.00 24.35 O ATOM 111 CB THR A 27 -6.320 -2.635 -9.630 1.00 61.11 C ATOM 112 OG1 THR A 27 -6.910 -2.075 -8.452 1.00 30.13 O ATOM 113 CG2 THR A 27 -7.300 -3.595 -10.287 1.00 53.35 C ATOM 0 H THR A 27 -3.983 -1.553 -8.960 1.00 2.42 H new ATOM 0 HA THR A 27 -5.229 -4.195 -8.613 1.00 13.24 H new ATOM 0 HB THR A 27 -6.090 -1.836 -10.335 1.00 61.11 H new ATOM 0 HG1 THR A 27 -6.518 -1.194 -8.277 1.00 30.13 H new ATOM 0 HG21 THR A 27 -8.220 -3.065 -10.532 1.00 53.35 H new ATOM 0 HG22 THR A 27 -6.859 -3.997 -11.199 1.00 53.35 H new ATOM 0 HG23 THR A 27 -7.524 -4.412 -9.601 1.00 53.35 H new ATOM 121 N PRO A 28 -3.907 -5.137 -10.514 1.00 1.42 N ATOM 122 CA PRO A 28 -3.261 -5.779 -11.663 1.00 15.32 C ATOM 123 C PRO A 28 -4.241 -6.057 -12.797 1.00 55.14 C ATOM 124 O PRO A 28 -3.936 -5.819 -13.966 1.00 43.13 O ATOM 125 CB PRO A 28 -2.729 -7.091 -11.083 1.00 23.25 C ATOM 126 CG PRO A 28 -3.610 -7.375 -9.915 1.00 40.33 C ATOM 127 CD PRO A 28 -3.992 -6.035 -9.350 1.00 54.20 C ATOM 0 HA PRO A 28 -2.489 -5.147 -12.102 1.00 15.32 H new ATOM 0 HB2 PRO A 28 -2.774 -7.895 -11.817 1.00 23.25 H new ATOM 0 HB3 PRO A 28 -1.687 -6.995 -10.779 1.00 23.25 H new ATOM 0 HG2 PRO A 28 -4.493 -7.936 -10.220 1.00 40.33 H new ATOM 0 HG3 PRO A 28 -3.090 -7.978 -9.171 1.00 40.33 H new ATOM 0 HD2 PRO A 28 -4.996 -6.049 -8.926 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -3.314 -5.726 -8.554 1.00 54.20 H new ATOM 135 N ILE A 29 -5.419 -6.561 -12.445 1.00 73.24 N ATOM 136 CA ILE A 29 -6.444 -6.870 -13.435 1.00 11.20 C ATOM 137 C ILE A 29 -7.599 -5.877 -13.358 1.00 70.13 C ATOM 138 O ILE A 29 -8.091 -5.564 -12.274 1.00 42.32 O ATOM 139 CB ILE A 29 -6.995 -8.296 -13.249 1.00 63.12 C ATOM 140 CG1 ILE A 29 -7.987 -8.632 -14.364 1.00 34.21 C ATOM 141 CG2 ILE A 29 -7.654 -8.436 -11.885 1.00 51.23 C ATOM 142 CD1 ILE A 29 -7.342 -8.775 -15.725 1.00 15.03 C ATOM 0 H ILE A 29 -5.687 -6.764 -11.482 1.00 73.24 H new ATOM 0 HA ILE A 29 -5.970 -6.798 -14.414 1.00 11.20 H new ATOM 0 HB ILE A 29 -6.165 -9.000 -13.303 1.00 63.12 H new ATOM 0 HG12 ILE A 29 -8.500 -9.561 -14.115 1.00 34.21 H new ATOM 0 HG13 ILE A 29 -8.746 -7.851 -14.411 1.00 34.21 H new ATOM 0 HG21 ILE A 29 -8.038 -9.449 -11.769 1.00 51.23 H new ATOM 0 HG22 ILE A 29 -6.921 -8.234 -11.104 1.00 51.23 H new ATOM 0 HG23 ILE A 29 -8.476 -7.725 -11.803 1.00 51.23 H new ATOM 0 HD11 ILE A 29 -8.105 -9.013 -16.466 1.00 15.03 H new ATOM 0 HD12 ILE A 29 -6.853 -7.839 -15.996 1.00 15.03 H new ATOM 0 HD13 ILE A 29 -6.603 -9.576 -15.695 1.00 15.03 H new ATOM 154 N SER A 30 -8.029 -5.387 -14.517 1.00 4.34 N ATOM 155 CA SER A 30 -9.125 -4.428 -14.581 1.00 51.41 C ATOM 156 C SER A 30 -10.413 -5.105 -15.038 1.00 73.15 C ATOM 157 O SER A 30 -10.386 -6.047 -15.831 1.00 4.21 O ATOM 158 CB SER A 30 -8.773 -3.282 -15.532 1.00 10.55 C ATOM 159 OG SER A 30 -9.721 -2.232 -15.438 1.00 62.22 O ATOM 0 H SER A 30 -7.635 -5.639 -15.424 1.00 4.34 H new ATOM 0 HA SER A 30 -9.282 -4.025 -13.580 1.00 51.41 H new ATOM 0 HB2 SER A 30 -7.779 -2.901 -15.296 1.00 10.55 H new ATOM 0 HB3 SER A 30 -8.737 -3.653 -16.556 1.00 10.55 H new ATOM 0 HG SER A 30 -9.473 -1.511 -16.054 1.00 62.22 H new ATOM 165 N VAL A 31 -11.542 -4.619 -14.533 1.00 12.52 N ATOM 166 CA VAL A 31 -12.842 -5.175 -14.889 1.00 61.10 C ATOM 167 C VAL A 31 -13.238 -4.782 -16.308 1.00 2.12 C ATOM 168 O VAL A 31 -13.055 -3.637 -16.721 1.00 2.42 O ATOM 169 CB VAL A 31 -13.939 -4.708 -13.914 1.00 22.33 C ATOM 170 CG1 VAL A 31 -14.108 -3.198 -13.983 1.00 24.23 C ATOM 171 CG2 VAL A 31 -15.253 -5.414 -14.213 1.00 24.32 C ATOM 0 H VAL A 31 -11.583 -3.840 -13.875 1.00 12.52 H new ATOM 0 HA VAL A 31 -12.750 -6.259 -14.828 1.00 61.10 H new ATOM 0 HB VAL A 31 -13.635 -4.969 -12.900 1.00 22.33 H new ATOM 0 HG11 VAL A 31 -14.887 -2.887 -13.287 1.00 24.23 H new ATOM 0 HG12 VAL A 31 -13.169 -2.714 -13.716 1.00 24.23 H new ATOM 0 HG13 VAL A 31 -14.389 -2.909 -14.996 1.00 24.23 H new ATOM 0 HG21 VAL A 31 -16.017 -5.072 -13.515 1.00 24.32 H new ATOM 0 HG22 VAL A 31 -15.565 -5.186 -15.232 1.00 24.32 H new ATOM 0 HG23 VAL A 31 -15.120 -6.491 -14.107 1.00 24.32 H new ATOM 181 N LYS A 32 -13.782 -5.739 -17.051 1.00 34.31 N ATOM 182 CA LYS A 32 -14.207 -5.494 -18.424 1.00 70.51 C ATOM 183 C LYS A 32 -15.190 -4.330 -18.490 1.00 41.12 C ATOM 184 O LYS A 32 -16.012 -4.147 -17.592 1.00 60.42 O ATOM 185 CB LYS A 32 -14.850 -6.752 -19.013 1.00 21.31 C ATOM 186 CG LYS A 32 -13.842 -7.779 -19.500 1.00 34.44 C ATOM 187 CD LYS A 32 -14.396 -9.191 -19.407 1.00 75.33 C ATOM 188 CE LYS A 32 -14.293 -9.739 -17.992 1.00 73.01 C ATOM 189 NZ LYS A 32 -14.247 -11.227 -17.975 1.00 74.43 N1+ ATOM 0 H LYS A 32 -13.939 -6.693 -16.725 1.00 34.31 H new ATOM 0 HA LYS A 32 -13.325 -5.235 -19.010 1.00 70.51 H new ATOM 0 HB2 LYS A 32 -15.488 -7.211 -18.258 1.00 21.31 H new ATOM 0 HB3 LYS A 32 -15.495 -6.465 -19.844 1.00 21.31 H new ATOM 0 HG2 LYS A 32 -13.569 -7.561 -20.533 1.00 34.44 H new ATOM 0 HG3 LYS A 32 -12.930 -7.705 -18.907 1.00 34.44 H new ATOM 0 HD2 LYS A 32 -15.439 -9.195 -19.725 1.00 75.33 H new ATOM 0 HD3 LYS A 32 -13.852 -9.842 -20.091 1.00 75.33 H new ATOM 0 HE2 LYS A 32 -13.397 -9.343 -17.513 1.00 73.01 H new ATOM 0 HE3 LYS A 32 -15.146 -9.395 -17.407 1.00 73.01 H new ATOM 0 HZ1 LYS A 32 -14.177 -11.561 -16.993 1.00 74.43 H new ATOM 0 HZ2 LYS A 32 -15.113 -11.606 -18.409 1.00 74.43 H new ATOM 0 HZ3 LYS A 32 -13.419 -11.555 -18.512 1.00 74.43 H new ATOM 203 N ASP A 33 -15.100 -3.546 -19.559 1.00 72.10 N ATOM 204 CA ASP A 33 -15.984 -2.401 -19.743 1.00 45.54 C ATOM 205 C ASP A 33 -16.616 -2.420 -21.131 1.00 51.14 C ATOM 206 O ASP A 33 -16.072 -3.011 -22.063 1.00 65.41 O ATOM 207 CB ASP A 33 -15.211 -1.096 -19.539 1.00 75.13 C ATOM 208 CG ASP A 33 -16.126 0.080 -19.258 1.00 41.15 C ATOM 209 OD1 ASP A 33 -16.027 1.095 -19.980 1.00 72.55 O ATOM 210 OD2 ASP A 33 -16.941 -0.014 -18.317 1.00 60.23 O ATOM 0 H ASP A 33 -14.424 -3.682 -20.311 1.00 72.10 H new ATOM 0 HA ASP A 33 -16.779 -2.464 -19.000 1.00 45.54 H new ATOM 0 HB2 ASP A 33 -14.513 -1.216 -18.710 1.00 75.13 H new ATOM 0 HB3 ASP A 33 -14.617 -0.886 -20.428 1.00 75.13 H new ATOM 215 N GLN A 34 -17.768 -1.770 -21.260 1.00 74.22 N ATOM 216 CA GLN A 34 -18.475 -1.715 -22.534 1.00 54.12 C ATOM 217 C GLN A 34 -17.743 -0.815 -23.524 1.00 74.14 C ATOM 218 O GLN A 34 -17.081 0.147 -23.133 1.00 71.43 O ATOM 219 CB GLN A 34 -19.904 -1.209 -22.327 1.00 71.31 C ATOM 220 CG GLN A 34 -20.919 -2.322 -22.120 1.00 53.33 C ATOM 221 CD GLN A 34 -20.849 -3.384 -23.199 1.00 64.42 C ATOM 222 OE1 GLN A 34 -20.914 -4.580 -22.914 1.00 21.41 O ATOM 223 NE2 GLN A 34 -20.714 -2.953 -24.448 1.00 14.33 N ATOM 0 H GLN A 34 -18.231 -1.274 -20.498 1.00 74.22 H new ATOM 0 HA GLN A 34 -18.510 -2.724 -22.945 1.00 54.12 H new ATOM 0 HB2 GLN A 34 -19.924 -0.545 -21.463 1.00 71.31 H new ATOM 0 HB3 GLN A 34 -20.199 -0.615 -23.192 1.00 71.31 H new ATOM 0 HG2 GLN A 34 -20.751 -2.786 -21.148 1.00 53.33 H new ATOM 0 HG3 GLN A 34 -21.922 -1.895 -22.100 1.00 53.33 H new ATOM 0 HE21 GLN A 34 -20.664 -1.952 -24.640 1.00 14.33 H new ATOM 0 HE22 GLN A 34 -20.660 -3.623 -25.216 1.00 14.33 H new ATOM 232 N CYS A 35 -17.867 -1.134 -24.809 1.00 3.55 N ATOM 233 CA CYS A 35 -17.217 -0.355 -25.856 1.00 25.12 C ATOM 234 C CYS A 35 -18.181 0.665 -26.454 1.00 12.03 C ATOM 235 O CYS A 35 -19.346 0.737 -26.063 1.00 22.35 O ATOM 236 CB CYS A 35 -16.689 -1.280 -26.955 1.00 12.33 C ATOM 237 SG CYS A 35 -17.973 -1.884 -28.097 1.00 61.41 S ATOM 0 H CYS A 35 -18.412 -1.926 -25.149 1.00 3.55 H new ATOM 0 HA CYS A 35 -16.380 0.182 -25.409 1.00 25.12 H new ATOM 0 HB2 CYS A 35 -15.929 -0.749 -27.528 1.00 12.33 H new ATOM 0 HB3 CYS A 35 -16.199 -2.136 -26.491 1.00 12.33 H new ATOM 242 N ALA A 36 -17.687 1.452 -27.404 1.00 74.21 N ATOM 243 CA ALA A 36 -18.505 2.466 -28.058 1.00 33.13 C ATOM 244 C ALA A 36 -19.767 1.852 -28.655 1.00 11.41 C ATOM 245 O ALA A 36 -19.755 0.713 -29.119 1.00 1.04 O ATOM 246 CB ALA A 36 -17.701 3.178 -29.135 1.00 54.34 C ATOM 0 H ALA A 36 -16.724 1.407 -27.738 1.00 74.21 H new ATOM 0 HA ALA A 36 -18.808 3.194 -27.306 1.00 33.13 H new ATOM 0 HB1 ALA A 36 -18.324 3.932 -29.615 1.00 54.34 H new ATOM 0 HB2 ALA A 36 -16.833 3.658 -28.683 1.00 54.34 H new ATOM 0 HB3 ALA A 36 -17.369 2.454 -29.879 1.00 54.34 H new ATOM 252 N ASN A 37 -20.855 2.616 -28.639 1.00 71.43 N ATOM 253 CA ASN A 37 -22.126 2.146 -29.179 1.00 31.34 C ATOM 254 C ASN A 37 -22.296 2.583 -30.630 1.00 53.51 C ATOM 255 O ASN A 37 -23.389 2.500 -31.191 1.00 40.11 O ATOM 256 CB ASN A 37 -23.288 2.674 -28.335 1.00 53.12 C ATOM 257 CG ASN A 37 -24.249 1.576 -27.923 1.00 35.11 C ATOM 258 OD1 ASN A 37 -24.748 1.563 -26.798 1.00 33.45 O ATOM 259 ND2 ASN A 37 -24.513 0.648 -28.835 1.00 75.32 N ATOM 0 H ASN A 37 -20.882 3.562 -28.258 1.00 71.43 H new ATOM 0 HA ASN A 37 -22.126 1.057 -29.145 1.00 31.34 H new ATOM 0 HB2 ASN A 37 -22.894 3.161 -27.443 1.00 53.12 H new ATOM 0 HB3 ASN A 37 -23.829 3.433 -28.900 1.00 53.12 H new ATOM 0 HD21 ASN A 37 -25.153 -0.116 -28.615 1.00 75.32 H new ATOM 0 HD22 ASN A 37 -24.076 0.699 -29.755 1.00 75.32 H new ATOM 266 N VAL A 38 -21.207 3.050 -31.233 1.00 74.24 N ATOM 267 CA VAL A 38 -21.235 3.499 -32.620 1.00 41.22 C ATOM 268 C VAL A 38 -21.928 2.478 -33.515 1.00 51.01 C ATOM 269 O VAL A 38 -21.530 1.314 -33.573 1.00 42.11 O ATOM 270 CB VAL A 38 -19.814 3.754 -33.156 1.00 5.01 C ATOM 271 CG1 VAL A 38 -19.147 4.884 -32.386 1.00 31.11 C ATOM 272 CG2 VAL A 38 -18.981 2.483 -33.081 1.00 42.24 C ATOM 0 H VAL A 38 -20.295 3.127 -30.783 1.00 74.24 H new ATOM 0 HA VAL A 38 -21.796 4.434 -32.638 1.00 41.22 H new ATOM 0 HB VAL A 38 -19.887 4.053 -34.202 1.00 5.01 H new ATOM 0 HG11 VAL A 38 -18.144 5.050 -32.779 1.00 31.11 H new ATOM 0 HG12 VAL A 38 -19.735 5.795 -32.496 1.00 31.11 H new ATOM 0 HG13 VAL A 38 -19.084 4.618 -31.331 1.00 31.11 H new ATOM 0 HG21 VAL A 38 -17.980 2.681 -33.464 1.00 42.24 H new ATOM 0 HG22 VAL A 38 -18.914 2.152 -32.045 1.00 42.24 H new ATOM 0 HG23 VAL A 38 -19.451 1.704 -33.681 1.00 42.24 H new ATOM 282 N THR A 39 -22.969 2.921 -34.214 1.00 1.24 N ATOM 283 CA THR A 39 -23.719 2.046 -35.106 1.00 2.31 C ATOM 284 C THR A 39 -23.256 2.206 -36.550 1.00 22.25 C ATOM 285 O THR A 39 -22.855 3.293 -36.967 1.00 74.24 O ATOM 286 CB THR A 39 -25.231 2.329 -35.030 1.00 31.14 C ATOM 287 OG1 THR A 39 -25.533 3.561 -35.693 1.00 53.25 O ATOM 288 CG2 THR A 39 -25.696 2.399 -33.583 1.00 12.01 C ATOM 0 H THR A 39 -23.312 3.881 -34.179 1.00 1.24 H new ATOM 0 HA THR A 39 -23.531 1.024 -34.778 1.00 2.31 H new ATOM 0 HB THR A 39 -25.756 1.512 -35.525 1.00 31.14 H new ATOM 0 HG1 THR A 39 -26.311 3.437 -36.276 1.00 53.25 H new ATOM 0 HG21 THR A 39 -26.767 2.600 -33.554 1.00 12.01 H new ATOM 0 HG22 THR A 39 -25.491 1.449 -33.089 1.00 12.01 H new ATOM 0 HG23 THR A 39 -25.163 3.198 -33.068 1.00 12.01 H new ATOM 296 N CYS A 40 -23.313 1.116 -37.308 1.00 54.52 N ATOM 297 CA CYS A 40 -22.900 1.135 -38.706 1.00 72.12 C ATOM 298 C CYS A 40 -24.075 0.811 -39.625 1.00 2.11 C ATOM 299 O CYS A 40 -25.113 0.325 -39.175 1.00 3.52 O ATOM 300 CB CYS A 40 -21.766 0.134 -38.938 1.00 13.11 C ATOM 301 SG CYS A 40 -21.028 -0.521 -37.407 1.00 13.24 S ATOM 0 H CYS A 40 -23.641 0.209 -36.977 1.00 54.52 H new ATOM 0 HA CYS A 40 -22.544 2.138 -38.940 1.00 72.12 H new ATOM 0 HB2 CYS A 40 -22.146 -0.698 -39.531 1.00 13.11 H new ATOM 0 HB3 CYS A 40 -20.986 0.615 -39.528 1.00 13.11 H new ATOM 306 N ARG A 41 -23.903 1.083 -40.914 1.00 42.43 N ATOM 307 CA ARG A 41 -24.948 0.822 -41.896 1.00 52.24 C ATOM 308 C ARG A 41 -24.436 -0.092 -43.006 1.00 10.14 C ATOM 309 O ARG A 41 -23.448 0.217 -43.672 1.00 1.53 O ATOM 310 CB ARG A 41 -25.454 2.136 -42.496 1.00 20.40 C ATOM 311 CG ARG A 41 -24.451 3.274 -42.402 1.00 33.01 C ATOM 312 CD ARG A 41 -23.252 3.036 -43.306 1.00 51.32 C ATOM 313 NE ARG A 41 -22.665 4.288 -43.778 1.00 35.23 N ATOM 314 CZ ARG A 41 -21.556 4.351 -44.505 1.00 4.31 C ATOM 315 NH1 ARG A 41 -20.916 3.240 -44.842 1.00 41.15 N1+ ATOM 316 NH2 ARG A 41 -21.084 5.528 -44.896 1.00 42.14 N ATOM 0 H ARG A 41 -23.050 1.484 -41.303 1.00 42.43 H new ATOM 0 HA ARG A 41 -25.772 0.321 -41.387 1.00 52.24 H new ATOM 0 HB2 ARG A 41 -25.709 1.973 -43.543 1.00 20.40 H new ATOM 0 HB3 ARG A 41 -26.372 2.429 -41.986 1.00 20.40 H new ATOM 0 HG2 ARG A 41 -24.935 4.211 -42.677 1.00 33.01 H new ATOM 0 HG3 ARG A 41 -24.115 3.380 -41.371 1.00 33.01 H new ATOM 0 HD2 ARG A 41 -22.498 2.463 -42.765 1.00 51.32 H new ATOM 0 HD3 ARG A 41 -23.557 2.433 -44.162 1.00 51.32 H new ATOM 0 HE ARG A 41 -23.133 5.161 -43.536 1.00 35.23 H new ATOM 0 HH11 ARG A 41 -21.275 2.334 -44.543 1.00 41.15 H new ATOM 0 HH12 ARG A 41 -20.064 3.292 -45.401 1.00 41.15 H new ATOM 0 HH21 ARG A 41 -21.573 6.385 -44.638 1.00 42.14 H new ATOM 0 HH22 ARG A 41 -20.232 5.576 -45.455 1.00 42.14 H new ATOM 330 N ARG A 42 -25.114 -1.218 -43.197 1.00 75.55 N ATOM 331 CA ARG A 42 -24.727 -2.178 -44.224 1.00 71.13 C ATOM 332 C ARG A 42 -25.957 -2.791 -44.888 1.00 12.32 C ATOM 333 O ARG A 42 -26.810 -3.377 -44.220 1.00 1.22 O ATOM 334 CB ARG A 42 -23.858 -3.282 -43.619 1.00 70.00 C ATOM 335 CG ARG A 42 -22.373 -3.104 -43.887 1.00 44.33 C ATOM 336 CD ARG A 42 -21.907 -3.976 -45.043 1.00 4.14 C ATOM 337 NE ARG A 42 -21.789 -3.220 -46.286 1.00 51.35 N ATOM 338 CZ ARG A 42 -20.876 -2.276 -46.490 1.00 33.33 C ATOM 339 NH1 ARG A 42 -20.006 -1.975 -45.536 1.00 63.21 N1+ ATOM 340 NH2 ARG A 42 -20.833 -1.632 -47.649 1.00 23.21 N ATOM 0 H ARG A 42 -25.934 -1.488 -42.654 1.00 75.55 H new ATOM 0 HA ARG A 42 -24.152 -1.647 -44.983 1.00 71.13 H new ATOM 0 HB2 ARG A 42 -24.023 -3.313 -42.542 1.00 70.00 H new ATOM 0 HB3 ARG A 42 -24.178 -4.244 -44.019 1.00 70.00 H new ATOM 0 HG2 ARG A 42 -22.166 -2.058 -44.112 1.00 44.33 H new ATOM 0 HG3 ARG A 42 -21.808 -3.355 -42.990 1.00 44.33 H new ATOM 0 HD2 ARG A 42 -20.943 -4.420 -44.796 1.00 4.14 H new ATOM 0 HD3 ARG A 42 -22.610 -4.797 -45.184 1.00 4.14 H new ATOM 0 HE ARG A 42 -22.444 -3.428 -47.040 1.00 51.35 H new ATOM 0 HH11 ARG A 42 -20.037 -2.468 -44.644 1.00 63.21 H new ATOM 0 HH12 ARG A 42 -19.306 -1.250 -45.694 1.00 63.21 H new ATOM 0 HH21 ARG A 42 -21.501 -1.861 -48.385 1.00 23.21 H new ATOM 0 HH22 ARG A 42 -20.132 -0.908 -47.804 1.00 23.21 H new ATOM 354 N THR A 43 -26.043 -2.651 -46.207 1.00 53.41 N ATOM 355 CA THR A 43 -27.169 -3.188 -46.961 1.00 21.02 C ATOM 356 C THR A 43 -26.702 -3.832 -48.262 1.00 14.44 C ATOM 357 O THR A 43 -25.742 -3.376 -48.882 1.00 40.42 O ATOM 358 CB THR A 43 -28.202 -2.093 -47.285 1.00 51.40 C ATOM 359 OG1 THR A 43 -28.394 -1.247 -46.145 1.00 71.42 O ATOM 360 CG2 THR A 43 -29.531 -2.707 -47.697 1.00 34.25 C ATOM 0 H THR A 43 -25.346 -2.170 -46.775 1.00 53.41 H new ATOM 0 HA THR A 43 -27.638 -3.944 -46.332 1.00 21.02 H new ATOM 0 HB THR A 43 -27.821 -1.500 -48.116 1.00 51.40 H new ATOM 0 HG1 THR A 43 -28.629 -0.344 -46.444 1.00 71.42 H new ATOM 0 HG21 THR A 43 -30.244 -1.914 -47.921 1.00 34.25 H new ATOM 0 HG22 THR A 43 -29.387 -3.326 -48.583 1.00 34.25 H new ATOM 0 HG23 THR A 43 -29.916 -3.322 -46.883 1.00 34.25 H new ATOM 368 N VAL A 44 -27.389 -4.894 -48.670 1.00 61.12 N ATOM 369 CA VAL A 44 -27.046 -5.600 -49.899 1.00 43.31 C ATOM 370 C VAL A 44 -28.253 -6.339 -50.464 1.00 54.20 C ATOM 371 O VAL A 44 -28.806 -7.230 -49.819 1.00 14.20 O ATOM 372 CB VAL A 44 -25.903 -6.607 -49.668 1.00 14.41 C ATOM 373 CG1 VAL A 44 -26.266 -7.580 -48.557 1.00 75.53 C ATOM 374 CG2 VAL A 44 -25.580 -7.350 -50.955 1.00 50.22 C ATOM 0 H VAL A 44 -28.186 -5.284 -48.168 1.00 61.12 H new ATOM 0 HA VAL A 44 -26.717 -4.847 -50.615 1.00 43.31 H new ATOM 0 HB VAL A 44 -25.014 -6.057 -49.360 1.00 14.41 H new ATOM 0 HG11 VAL A 44 -25.447 -8.284 -48.408 1.00 75.53 H new ATOM 0 HG12 VAL A 44 -26.443 -7.028 -47.634 1.00 75.53 H new ATOM 0 HG13 VAL A 44 -27.168 -8.126 -48.832 1.00 75.53 H new ATOM 0 HG21 VAL A 44 -24.771 -8.057 -50.774 1.00 50.22 H new ATOM 0 HG22 VAL A 44 -26.464 -7.890 -51.295 1.00 50.22 H new ATOM 0 HG23 VAL A 44 -25.274 -6.636 -51.720 1.00 50.22 H new ATOM 384 N ASP A 45 -28.658 -5.963 -51.673 1.00 25.55 N ATOM 385 CA ASP A 45 -29.800 -6.592 -52.326 1.00 44.13 C ATOM 386 C ASP A 45 -29.439 -7.037 -53.740 1.00 71.50 C ATOM 387 O ASP A 45 -28.582 -6.440 -54.390 1.00 20.43 O ATOM 388 CB ASP A 45 -30.985 -5.626 -52.369 1.00 62.13 C ATOM 389 CG ASP A 45 -30.936 -4.703 -53.571 1.00 2.44 C ATOM 390 OD1 ASP A 45 -29.951 -3.945 -53.697 1.00 62.14 O ATOM 391 OD2 ASP A 45 -31.882 -4.738 -54.385 1.00 10.05 O ATOM 0 H ASP A 45 -28.212 -5.226 -52.220 1.00 25.55 H new ATOM 0 HA ASP A 45 -30.080 -7.472 -51.747 1.00 44.13 H new ATOM 0 HB2 ASP A 45 -31.914 -6.196 -52.390 1.00 62.13 H new ATOM 0 HB3 ASP A 45 -30.997 -5.030 -51.457 1.00 62.13 H new ATOM 396 N ASN A 46 -30.099 -8.091 -54.209 1.00 71.42 N ATOM 397 CA ASN A 46 -29.847 -8.618 -55.546 1.00 22.35 C ATOM 398 C ASN A 46 -28.349 -8.756 -55.802 1.00 52.44 C ATOM 399 O ASN A 46 -27.895 -8.674 -56.944 1.00 22.24 O ATOM 400 CB ASN A 46 -30.476 -7.708 -56.602 1.00 45.14 C ATOM 401 CG ASN A 46 -31.349 -8.472 -57.578 1.00 61.44 C ATOM 402 OD1 ASN A 46 -30.873 -9.349 -58.300 1.00 23.25 O ATOM 403 ND2 ASN A 46 -32.635 -8.142 -57.605 1.00 61.23 N ATOM 0 H ASN A 46 -30.812 -8.597 -53.684 1.00 71.42 H new ATOM 0 HA ASN A 46 -30.301 -9.607 -55.612 1.00 22.35 H new ATOM 0 HB2 ASN A 46 -31.073 -6.941 -56.108 1.00 45.14 H new ATOM 0 HB3 ASN A 46 -29.687 -7.193 -57.150 1.00 45.14 H new ATOM 0 HD21 ASN A 46 -33.271 -8.622 -58.242 1.00 61.23 H new ATOM 0 HD22 ASN A 46 -32.986 -7.409 -56.989 1.00 61.23 H new ATOM 410 N ARG A 47 -27.588 -8.965 -54.733 1.00 41.14 N ATOM 411 CA ARG A 47 -26.142 -9.113 -54.843 1.00 24.14 C ATOM 412 C ARG A 47 -25.719 -10.551 -54.557 1.00 74.43 C ATOM 413 O ARG A 47 -24.773 -11.061 -55.155 1.00 62.42 O ATOM 414 CB ARG A 47 -25.436 -8.162 -53.875 1.00 4.40 C ATOM 415 CG ARG A 47 -24.377 -7.295 -54.537 1.00 10.40 C ATOM 416 CD ARG A 47 -22.974 -7.731 -54.144 1.00 12.41 C ATOM 417 NE ARG A 47 -22.680 -7.433 -52.745 1.00 13.53 N ATOM 418 CZ ARG A 47 -21.489 -7.620 -52.188 1.00 30.41 C ATOM 419 NH1 ARG A 47 -20.486 -8.103 -52.908 1.00 4.21 N1+ ATOM 420 NH2 ARG A 47 -21.299 -7.325 -50.908 1.00 75.02 N ATOM 0 H ARG A 47 -27.948 -9.036 -53.781 1.00 41.14 H new ATOM 0 HA ARG A 47 -25.853 -8.863 -55.864 1.00 24.14 H new ATOM 0 HB2 ARG A 47 -26.179 -7.518 -53.405 1.00 4.40 H new ATOM 0 HB3 ARG A 47 -24.971 -8.745 -53.080 1.00 4.40 H new ATOM 0 HG2 ARG A 47 -24.486 -7.349 -55.620 1.00 10.40 H new ATOM 0 HG3 ARG A 47 -24.528 -6.254 -54.253 1.00 10.40 H new ATOM 0 HD2 ARG A 47 -22.865 -8.802 -54.317 1.00 12.41 H new ATOM 0 HD3 ARG A 47 -22.246 -7.229 -54.782 1.00 12.41 H new ATOM 0 HE ARG A 47 -23.431 -7.061 -52.164 1.00 13.53 H new ATOM 0 HH11 ARG A 47 -20.628 -8.332 -53.892 1.00 4.21 H new ATOM 0 HH12 ARG A 47 -19.572 -8.246 -52.478 1.00 4.21 H new ATOM 0 HH21 ARG A 47 -22.068 -6.954 -50.350 1.00 75.02 H new ATOM 0 HH22 ARG A 47 -20.384 -7.469 -50.482 1.00 75.02 H new ATOM 434 N GLY A 48 -26.429 -11.200 -53.639 1.00 22.04 N ATOM 435 CA GLY A 48 -26.112 -12.573 -53.290 1.00 11.44 C ATOM 436 C GLY A 48 -24.837 -12.685 -52.477 1.00 54.10 C ATOM 437 O GLY A 48 -24.434 -13.781 -52.089 1.00 21.43 O ATOM 0 H GLY A 48 -27.218 -10.800 -53.131 1.00 22.04 H new ATOM 0 HA2 GLY A 48 -26.939 -13.001 -52.724 1.00 11.44 H new ATOM 0 HA3 GLY A 48 -26.011 -13.162 -54.201 1.00 11.44 H new ATOM 441 N LYS A 49 -24.200 -11.548 -52.220 1.00 24.12 N ATOM 442 CA LYS A 49 -22.962 -11.522 -51.449 1.00 14.14 C ATOM 443 C LYS A 49 -23.180 -10.856 -50.094 1.00 2.33 C ATOM 444 O LYS A 49 -23.796 -9.794 -50.006 1.00 13.34 O ATOM 445 CB LYS A 49 -21.870 -10.782 -52.223 1.00 41.44 C ATOM 446 CG LYS A 49 -20.868 -11.705 -52.895 1.00 32.14 C ATOM 447 CD LYS A 49 -21.411 -12.262 -54.200 1.00 42.22 C ATOM 448 CE LYS A 49 -20.619 -13.477 -54.660 1.00 14.23 C ATOM 449 NZ LYS A 49 -21.209 -14.094 -55.880 1.00 50.42 N1+ ATOM 0 H LYS A 49 -24.520 -10.632 -52.534 1.00 24.12 H new ATOM 0 HA LYS A 49 -22.645 -12.552 -51.282 1.00 14.14 H new ATOM 0 HB2 LYS A 49 -22.337 -10.153 -52.981 1.00 41.44 H new ATOM 0 HB3 LYS A 49 -21.339 -10.118 -51.541 1.00 41.44 H new ATOM 0 HG2 LYS A 49 -19.943 -11.161 -53.087 1.00 32.14 H new ATOM 0 HG3 LYS A 49 -20.621 -12.527 -52.223 1.00 32.14 H new ATOM 0 HD2 LYS A 49 -22.458 -12.536 -54.072 1.00 42.22 H new ATOM 0 HD3 LYS A 49 -21.375 -11.490 -54.969 1.00 42.22 H new ATOM 0 HE2 LYS A 49 -19.589 -13.184 -54.863 1.00 14.23 H new ATOM 0 HE3 LYS A 49 -20.588 -14.215 -53.858 1.00 14.23 H new ATOM 0 HZ1 LYS A 49 -20.641 -14.918 -56.162 1.00 50.42 H new ATOM 0 HZ2 LYS A 49 -22.183 -14.397 -55.679 1.00 50.42 H new ATOM 0 HZ3 LYS A 49 -21.215 -13.398 -56.653 1.00 50.42 H new ATOM 463 N ARG A 50 -22.669 -11.485 -49.041 1.00 24.41 N ATOM 464 CA ARG A 50 -22.807 -10.953 -47.691 1.00 10.12 C ATOM 465 C ARG A 50 -21.547 -10.201 -47.271 1.00 72.30 C ATOM 466 O ARG A 50 -20.446 -10.753 -47.291 1.00 75.31 O ATOM 467 CB ARG A 50 -23.093 -12.083 -46.701 1.00 31.43 C ATOM 468 CG ARG A 50 -22.993 -11.658 -45.245 1.00 13.21 C ATOM 469 CD ARG A 50 -23.998 -12.399 -44.378 1.00 33.55 C ATOM 470 NE ARG A 50 -25.376 -12.059 -44.723 1.00 62.21 N ATOM 471 CZ ARG A 50 -26.165 -12.841 -45.451 1.00 35.11 C ATOM 472 NH1 ARG A 50 -25.716 -14.002 -45.907 1.00 72.11 N1+ ATOM 473 NH2 ARG A 50 -27.408 -12.462 -45.723 1.00 64.24 N ATOM 0 H ARG A 50 -22.155 -12.364 -49.097 1.00 24.41 H new ATOM 0 HA ARG A 50 -23.644 -10.255 -47.687 1.00 10.12 H new ATOM 0 HB2 ARG A 50 -24.093 -12.474 -46.888 1.00 31.43 H new ATOM 0 HB3 ARG A 50 -22.393 -12.898 -46.881 1.00 31.43 H new ATOM 0 HG2 ARG A 50 -21.984 -11.848 -44.878 1.00 13.21 H new ATOM 0 HG3 ARG A 50 -23.164 -10.584 -45.166 1.00 13.21 H new ATOM 0 HD2 ARG A 50 -23.851 -13.473 -44.490 1.00 33.55 H new ATOM 0 HD3 ARG A 50 -23.818 -12.161 -43.330 1.00 33.55 H new ATOM 0 HE ARG A 50 -25.753 -11.173 -44.387 1.00 62.21 H new ATOM 0 HH11 ARG A 50 -24.762 -14.297 -45.699 1.00 72.11 H new ATOM 0 HH12 ARG A 50 -26.325 -14.600 -46.466 1.00 72.11 H new ATOM 0 HH21 ARG A 50 -27.757 -11.570 -45.373 1.00 64.24 H new ATOM 0 HH22 ARG A 50 -28.014 -13.063 -46.282 1.00 64.24 H new ATOM 487 N HIS A 51 -21.716 -8.939 -46.891 1.00 53.45 N ATOM 488 CA HIS A 51 -20.593 -8.111 -46.467 1.00 1.03 C ATOM 489 C HIS A 51 -20.835 -7.541 -45.072 1.00 64.13 C ATOM 490 O HIS A 51 -21.829 -6.855 -44.836 1.00 13.22 O ATOM 491 CB HIS A 51 -20.365 -6.974 -47.463 1.00 2.43 C ATOM 492 CG HIS A 51 -18.948 -6.866 -47.935 1.00 65.21 C ATOM 493 ND1 HIS A 51 -18.395 -7.728 -48.859 1.00 41.42 N ATOM 494 CD2 HIS A 51 -17.969 -5.991 -47.607 1.00 1.41 C ATOM 495 CE1 HIS A 51 -17.137 -7.388 -49.078 1.00 12.42 C ATOM 496 NE2 HIS A 51 -16.854 -6.336 -48.330 1.00 70.04 N ATOM 0 H HIS A 51 -22.620 -8.467 -46.868 1.00 53.45 H new ATOM 0 HA HIS A 51 -19.702 -8.739 -46.435 1.00 1.03 H new ATOM 0 HB2 HIS A 51 -21.016 -7.121 -48.325 1.00 2.43 H new ATOM 0 HB3 HIS A 51 -20.658 -6.032 -46.999 1.00 2.43 H new ATOM 0 HD2 HIS A 51 -18.050 -5.173 -46.906 1.00 1.41 H new ATOM 0 HE1 HIS A 51 -16.456 -7.885 -49.753 1.00 12.42 H new ATOM 0 HE2 HIS A 51 -15.954 -5.858 -48.295 1.00 70.04 H new ATOM 504 N ILE A 52 -19.920 -7.831 -44.153 1.00 44.43 N ATOM 505 CA ILE A 52 -20.034 -7.347 -42.783 1.00 41.52 C ATOM 506 C ILE A 52 -18.931 -6.345 -42.460 1.00 44.33 C ATOM 507 O ILE A 52 -17.784 -6.514 -42.874 1.00 64.04 O ATOM 508 CB ILE A 52 -19.973 -8.505 -41.770 1.00 2.20 C ATOM 509 CG1 ILE A 52 -20.938 -9.620 -42.178 1.00 13.52 C ATOM 510 CG2 ILE A 52 -20.296 -8.002 -40.371 1.00 31.21 C ATOM 511 CD1 ILE A 52 -20.732 -10.908 -41.412 1.00 11.40 C ATOM 0 H ILE A 52 -19.092 -8.399 -44.332 1.00 44.43 H new ATOM 0 HA ILE A 52 -21.003 -6.855 -42.702 1.00 41.52 H new ATOM 0 HB ILE A 52 -18.961 -8.911 -41.764 1.00 2.20 H new ATOM 0 HG12 ILE A 52 -21.962 -9.277 -42.027 1.00 13.52 H new ATOM 0 HG13 ILE A 52 -20.822 -9.818 -43.244 1.00 13.52 H new ATOM 0 HG21 ILE A 52 -20.249 -8.832 -39.666 1.00 31.21 H new ATOM 0 HG22 ILE A 52 -19.573 -7.239 -40.083 1.00 31.21 H new ATOM 0 HG23 ILE A 52 -21.298 -7.574 -40.361 1.00 31.21 H new ATOM 0 HD11 ILE A 52 -21.450 -11.653 -41.753 1.00 11.40 H new ATOM 0 HD12 ILE A 52 -19.720 -11.275 -41.583 1.00 11.40 H new ATOM 0 HD13 ILE A 52 -20.877 -10.725 -40.347 1.00 11.40 H new ATOM 523 N ASP A 53 -19.285 -5.302 -41.717 1.00 62.21 N ATOM 524 CA ASP A 53 -18.324 -4.274 -41.335 1.00 50.33 C ATOM 525 C ASP A 53 -17.973 -4.380 -39.854 1.00 74.45 C ATOM 526 O ASP A 53 -18.802 -4.779 -39.037 1.00 50.40 O ATOM 527 CB ASP A 53 -18.884 -2.884 -41.640 1.00 54.35 C ATOM 528 CG ASP A 53 -19.772 -2.360 -40.528 1.00 71.35 C ATOM 529 OD1 ASP A 53 -19.442 -1.301 -39.955 1.00 71.42 O ATOM 530 OD2 ASP A 53 -20.796 -3.010 -40.231 1.00 34.21 O ATOM 0 H ASP A 53 -20.230 -5.146 -41.367 1.00 62.21 H new ATOM 0 HA ASP A 53 -17.415 -4.428 -41.917 1.00 50.33 H new ATOM 0 HB2 ASP A 53 -18.059 -2.190 -41.799 1.00 54.35 H new ATOM 0 HB3 ASP A 53 -19.453 -2.921 -42.569 1.00 54.35 H new ATOM 535 N GLY A 54 -16.738 -4.023 -39.517 1.00 11.45 N ATOM 536 CA GLY A 54 -16.299 -4.087 -38.135 1.00 11.42 C ATOM 537 C GLY A 54 -16.044 -2.714 -37.543 1.00 70.43 C ATOM 538 O GLY A 54 -15.933 -1.727 -38.271 1.00 35.21 O ATOM 0 H GLY A 54 -16.034 -3.691 -40.176 1.00 11.45 H new ATOM 0 HA2 GLY A 54 -17.054 -4.601 -37.541 1.00 11.42 H new ATOM 0 HA3 GLY A 54 -15.387 -4.681 -38.074 1.00 11.42 H new ATOM 542 N CYS A 55 -15.952 -2.650 -36.219 1.00 62.53 N ATOM 543 CA CYS A 55 -15.710 -1.389 -35.529 1.00 75.21 C ATOM 544 C CYS A 55 -14.298 -1.346 -34.953 1.00 31.02 C ATOM 545 O CYS A 55 -13.820 -2.303 -34.342 1.00 53.45 O ATOM 546 CB CYS A 55 -16.736 -1.191 -34.411 1.00 23.42 C ATOM 547 SG CYS A 55 -18.417 -1.748 -34.837 1.00 13.32 S ATOM 0 H CYS A 55 -16.041 -3.457 -35.602 1.00 62.53 H new ATOM 0 HA CYS A 55 -15.812 -0.581 -36.254 1.00 75.21 H new ATOM 0 HB2 CYS A 55 -16.400 -1.729 -33.525 1.00 23.42 H new ATOM 0 HB3 CYS A 55 -16.771 -0.134 -34.148 1.00 23.42 H new ATOM 552 N PRO A 56 -13.613 -0.210 -35.150 1.00 52.21 N ATOM 553 CA PRO A 56 -12.247 -0.014 -34.657 1.00 44.45 C ATOM 554 C PRO A 56 -12.189 0.100 -33.138 1.00 2.20 C ATOM 555 O PRO A 56 -11.176 -0.204 -32.507 1.00 15.34 O ATOM 556 CB PRO A 56 -11.820 1.304 -35.309 1.00 54.40 C ATOM 557 CG PRO A 56 -13.096 2.030 -35.566 1.00 71.43 C ATOM 558 CD PRO A 56 -14.120 0.971 -35.869 1.00 14.22 C ATOM 0 HA PRO A 56 -11.601 -0.856 -34.903 1.00 44.45 H new ATOM 0 HB2 PRO A 56 -11.164 1.876 -34.653 1.00 54.40 H new ATOM 0 HB3 PRO A 56 -11.271 1.129 -36.234 1.00 54.40 H new ATOM 0 HG2 PRO A 56 -13.390 2.621 -34.699 1.00 71.43 H new ATOM 0 HG3 PRO A 56 -12.990 2.721 -36.402 1.00 71.43 H new ATOM 0 HD2 PRO A 56 -15.111 1.259 -35.520 1.00 14.22 H new ATOM 0 HD3 PRO A 56 -14.201 0.785 -36.940 1.00 14.22 H new ATOM 566 N PRO A 57 -13.300 0.548 -32.535 1.00 20.04 N ATOM 567 CA PRO A 57 -13.401 0.711 -31.081 1.00 43.03 C ATOM 568 C PRO A 57 -13.423 -0.626 -30.348 1.00 54.22 C ATOM 569 O PRO A 57 -13.588 -0.674 -29.130 1.00 75.00 O ATOM 570 CB PRO A 57 -14.732 1.444 -30.898 1.00 41.11 C ATOM 571 CG PRO A 57 -15.532 1.083 -32.102 1.00 1.31 C ATOM 572 CD PRO A 57 -14.544 0.929 -33.225 1.00 22.13 C ATOM 0 HA PRO A 57 -12.545 1.246 -30.670 1.00 43.03 H new ATOM 0 HB2 PRO A 57 -15.233 1.132 -29.982 1.00 41.11 H new ATOM 0 HB3 PRO A 57 -14.584 2.522 -30.829 1.00 41.11 H new ATOM 0 HG2 PRO A 57 -16.086 0.158 -31.940 1.00 1.31 H new ATOM 0 HG3 PRO A 57 -16.265 1.857 -32.330 1.00 1.31 H new ATOM 0 HD2 PRO A 57 -14.859 0.165 -33.936 1.00 22.13 H new ATOM 0 HD3 PRO A 57 -14.425 1.856 -33.785 1.00 22.13 H new ATOM 580 N GLY A 58 -13.256 -1.710 -31.099 1.00 30.41 N ATOM 581 CA GLY A 58 -13.260 -3.033 -30.502 1.00 74.44 C ATOM 582 C GLY A 58 -14.632 -3.678 -30.533 1.00 23.55 C ATOM 583 O GLY A 58 -14.843 -4.734 -29.934 1.00 12.52 O ATOM 0 H GLY A 58 -13.118 -1.696 -32.110 1.00 30.41 H new ATOM 0 HA2 GLY A 58 -12.551 -3.669 -31.031 1.00 74.44 H new ATOM 0 HA3 GLY A 58 -12.918 -2.964 -29.470 1.00 74.44 H new ATOM 587 N CYS A 59 -15.567 -3.043 -31.230 1.00 75.20 N ATOM 588 CA CYS A 59 -16.927 -3.560 -31.335 1.00 2.44 C ATOM 589 C CYS A 59 -17.148 -4.239 -32.683 1.00 13.01 C ATOM 590 O CYS A 59 -16.390 -4.027 -33.630 1.00 3.51 O ATOM 591 CB CYS A 59 -17.940 -2.429 -31.148 1.00 51.43 C ATOM 592 SG CYS A 59 -17.558 -1.308 -29.764 1.00 23.22 S ATOM 0 H CYS A 59 -15.409 -2.169 -31.731 1.00 75.20 H new ATOM 0 HA CYS A 59 -17.070 -4.300 -30.548 1.00 2.44 H new ATOM 0 HB2 CYS A 59 -17.993 -1.847 -32.068 1.00 51.43 H new ATOM 0 HB3 CYS A 59 -18.927 -2.863 -30.988 1.00 51.43 H new ATOM 597 N LEU A 60 -18.192 -5.056 -32.763 1.00 35.44 N ATOM 598 CA LEU A 60 -18.515 -5.767 -33.995 1.00 33.42 C ATOM 599 C LEU A 60 -19.948 -5.478 -34.431 1.00 31.41 C ATOM 600 O LEU A 60 -20.845 -5.338 -33.599 1.00 52.22 O ATOM 601 CB LEU A 60 -18.322 -7.273 -33.804 1.00 1.31 C ATOM 602 CG LEU A 60 -17.117 -7.890 -34.515 1.00 75.32 C ATOM 603 CD1 LEU A 60 -16.788 -9.252 -33.923 1.00 2.53 C ATOM 604 CD2 LEU A 60 -17.382 -8.007 -36.009 1.00 54.22 C ATOM 0 H LEU A 60 -18.830 -5.243 -31.989 1.00 35.44 H new ATOM 0 HA LEU A 60 -17.840 -5.416 -34.775 1.00 33.42 H new ATOM 0 HB2 LEU A 60 -18.232 -7.475 -32.737 1.00 1.31 H new ATOM 0 HB3 LEU A 60 -19.222 -7.781 -34.150 1.00 1.31 H new ATOM 0 HG LEU A 60 -16.258 -7.235 -34.368 1.00 75.32 H new ATOM 0 HD11 LEU A 60 -15.928 -9.676 -34.441 1.00 2.53 H new ATOM 0 HD12 LEU A 60 -16.555 -9.142 -32.864 1.00 2.53 H new ATOM 0 HD13 LEU A 60 -17.645 -9.916 -34.039 1.00 2.53 H new ATOM 0 HD21 LEU A 60 -16.514 -8.448 -36.499 1.00 54.22 H new ATOM 0 HD22 LEU A 60 -18.253 -8.640 -36.175 1.00 54.22 H new ATOM 0 HD23 LEU A 60 -17.569 -7.017 -36.424 1.00 54.22 H new ATOM 616 N CYS A 61 -20.157 -5.393 -35.740 1.00 43.04 N ATOM 617 CA CYS A 61 -21.480 -5.123 -36.288 1.00 53.24 C ATOM 618 C CYS A 61 -22.004 -6.327 -37.065 1.00 64.45 C ATOM 619 O CYS A 61 -21.337 -6.835 -37.968 1.00 34.13 O ATOM 620 CB CYS A 61 -21.437 -3.894 -37.199 1.00 72.21 C ATOM 621 SG CYS A 61 -21.143 -2.326 -36.319 1.00 64.52 S ATOM 0 H CYS A 61 -19.426 -5.507 -36.442 1.00 43.04 H new ATOM 0 HA CYS A 61 -22.157 -4.927 -35.456 1.00 53.24 H new ATOM 0 HB2 CYS A 61 -20.652 -4.034 -37.943 1.00 72.21 H new ATOM 0 HB3 CYS A 61 -22.380 -3.823 -37.740 1.00 72.21 H new ATOM 626 N VAL A 62 -23.202 -6.780 -36.709 1.00 5.13 N ATOM 627 CA VAL A 62 -23.816 -7.924 -37.373 1.00 4.54 C ATOM 628 C VAL A 62 -24.681 -7.478 -38.546 1.00 33.22 C ATOM 629 O VAL A 62 -25.386 -6.471 -38.465 1.00 23.01 O ATOM 630 CB VAL A 62 -24.678 -8.744 -36.395 1.00 0.33 C ATOM 631 CG1 VAL A 62 -25.683 -7.847 -35.688 1.00 21.13 C ATOM 632 CG2 VAL A 62 -25.383 -9.875 -37.127 1.00 73.12 C ATOM 0 H VAL A 62 -23.767 -6.372 -35.964 1.00 5.13 H new ATOM 0 HA VAL A 62 -23.004 -8.550 -37.742 1.00 4.54 H new ATOM 0 HB VAL A 62 -24.024 -9.182 -35.641 1.00 0.33 H new ATOM 0 HG11 VAL A 62 -26.283 -8.444 -35.001 1.00 21.13 H new ATOM 0 HG12 VAL A 62 -25.153 -7.075 -35.130 1.00 21.13 H new ATOM 0 HG13 VAL A 62 -26.334 -7.378 -36.426 1.00 21.13 H new ATOM 0 HG21 VAL A 62 -25.988 -10.444 -36.421 1.00 73.12 H new ATOM 0 HG22 VAL A 62 -26.026 -9.461 -37.904 1.00 73.12 H new ATOM 0 HG23 VAL A 62 -24.642 -10.532 -37.582 1.00 73.12 H new ATOM 642 N LEU A 63 -24.625 -8.235 -39.636 1.00 44.12 N ATOM 643 CA LEU A 63 -25.404 -7.919 -40.828 1.00 34.10 C ATOM 644 C LEU A 63 -26.752 -8.633 -40.802 1.00 62.53 C ATOM 645 O LEU A 63 -26.882 -9.716 -40.231 1.00 71.30 O ATOM 646 CB LEU A 63 -24.630 -8.312 -42.087 1.00 61.12 C ATOM 647 CG LEU A 63 -23.883 -7.182 -42.796 1.00 3.32 C ATOM 648 CD1 LEU A 63 -24.600 -6.790 -44.078 1.00 42.33 C ATOM 649 CD2 LEU A 63 -23.737 -5.979 -41.875 1.00 33.01 C ATOM 0 H LEU A 63 -24.048 -9.072 -39.719 1.00 44.12 H new ATOM 0 HA LEU A 63 -25.583 -6.844 -40.841 1.00 34.10 H new ATOM 0 HB2 LEU A 63 -23.910 -9.085 -41.820 1.00 61.12 H new ATOM 0 HB3 LEU A 63 -25.329 -8.758 -42.794 1.00 61.12 H new ATOM 0 HG LEU A 63 -22.886 -7.538 -43.056 1.00 3.32 H new ATOM 0 HD11 LEU A 63 -24.054 -5.984 -44.569 1.00 42.33 H new ATOM 0 HD12 LEU A 63 -24.652 -7.651 -44.744 1.00 42.33 H new ATOM 0 HD13 LEU A 63 -25.609 -6.453 -43.842 1.00 42.33 H new ATOM 0 HD21 LEU A 63 -23.203 -5.184 -42.396 1.00 33.01 H new ATOM 0 HD22 LEU A 63 -24.725 -5.622 -41.584 1.00 33.01 H new ATOM 0 HD23 LEU A 63 -23.179 -6.268 -40.985 1.00 33.01 H new ATOM 661 N LYS A 64 -27.752 -8.021 -41.427 1.00 32.34 N ATOM 662 CA LYS A 64 -29.090 -8.599 -41.479 1.00 62.13 C ATOM 663 C LYS A 64 -29.140 -9.767 -42.459 1.00 41.14 C ATOM 664 O LYS A 64 -28.307 -9.871 -43.359 1.00 22.24 O ATOM 665 CB LYS A 64 -30.112 -7.535 -41.885 1.00 41.20 C ATOM 666 CG LYS A 64 -31.554 -7.986 -41.729 1.00 40.34 C ATOM 667 CD LYS A 64 -32.481 -6.810 -41.472 1.00 53.22 C ATOM 668 CE LYS A 64 -32.393 -6.335 -40.030 1.00 23.32 C ATOM 669 NZ LYS A 64 -33.618 -5.598 -39.612 1.00 64.51 N1+ ATOM 0 H LYS A 64 -27.661 -7.124 -41.905 1.00 32.34 H new ATOM 0 HA LYS A 64 -29.337 -8.971 -40.485 1.00 62.13 H new ATOM 0 HB2 LYS A 64 -29.952 -6.641 -41.282 1.00 41.20 H new ATOM 0 HB3 LYS A 64 -29.938 -7.254 -42.924 1.00 41.20 H new ATOM 0 HG2 LYS A 64 -31.872 -8.511 -42.630 1.00 40.34 H new ATOM 0 HG3 LYS A 64 -31.627 -8.695 -40.905 1.00 40.34 H new ATOM 0 HD2 LYS A 64 -32.224 -5.990 -42.143 1.00 53.22 H new ATOM 0 HD3 LYS A 64 -33.507 -7.098 -41.699 1.00 53.22 H new ATOM 0 HE2 LYS A 64 -32.244 -7.192 -39.374 1.00 23.32 H new ATOM 0 HE3 LYS A 64 -31.523 -5.689 -39.913 1.00 23.32 H new ATOM 0 HZ1 LYS A 64 -33.518 -5.291 -38.623 1.00 64.51 H new ATOM 0 HZ2 LYS A 64 -33.747 -4.765 -40.222 1.00 64.51 H new ATOM 0 HZ3 LYS A 64 -34.445 -6.222 -39.699 1.00 64.51 H new ATOM 683 N GLY A 65 -30.124 -10.643 -42.280 1.00 1.12 N ATOM 684 CA GLY A 65 -30.265 -11.791 -43.157 1.00 4.43 C ATOM 685 C GLY A 65 -30.349 -11.397 -44.618 1.00 51.30 C ATOM 686 O GLY A 65 -30.424 -10.217 -44.962 1.00 13.23 O ATOM 0 H GLY A 65 -30.826 -10.578 -41.543 1.00 1.12 H new ATOM 0 HA2 GLY A 65 -29.417 -12.461 -43.013 1.00 4.43 H new ATOM 0 HA3 GLY A 65 -31.161 -12.347 -42.882 1.00 4.43 H new ATOM 690 N PRO A 66 -30.335 -12.401 -45.507 1.00 54.33 N ATOM 691 CA PRO A 66 -30.409 -12.178 -46.954 1.00 50.33 C ATOM 692 C PRO A 66 -31.780 -11.676 -47.394 1.00 71.14 C ATOM 693 O PRO A 66 -31.998 -10.472 -47.526 1.00 12.41 O ATOM 694 CB PRO A 66 -30.133 -13.564 -47.541 1.00 60.14 C ATOM 695 CG PRO A 66 -30.546 -14.517 -46.473 1.00 42.12 C ATOM 696 CD PRO A 66 -30.247 -13.831 -45.169 1.00 34.13 C ATOM 0 HA PRO A 66 -29.707 -11.413 -47.285 1.00 50.33 H new ATOM 0 HB2 PRO A 66 -30.701 -13.726 -48.457 1.00 60.14 H new ATOM 0 HB3 PRO A 66 -29.079 -13.684 -47.793 1.00 60.14 H new ATOM 0 HG2 PRO A 66 -31.606 -14.758 -46.553 1.00 42.12 H new ATOM 0 HG3 PRO A 66 -29.999 -15.456 -46.555 1.00 42.12 H new ATOM 0 HD2 PRO A 66 -30.965 -14.106 -44.396 1.00 34.13 H new ATOM 0 HD3 PRO A 66 -29.258 -14.095 -44.794 1.00 34.13 H new ATOM 704 N ASP A 67 -32.701 -12.607 -47.620 1.00 43.23 N ATOM 705 CA ASP A 67 -34.052 -12.259 -48.044 1.00 41.33 C ATOM 706 C ASP A 67 -34.710 -11.315 -47.042 1.00 61.51 C ATOM 707 O ASP A 67 -35.705 -10.661 -47.352 1.00 34.03 O ATOM 708 CB ASP A 67 -34.899 -13.521 -48.207 1.00 74.54 C ATOM 709 CG ASP A 67 -36.115 -13.293 -49.084 1.00 34.43 C ATOM 710 OD1 ASP A 67 -36.097 -13.736 -50.252 1.00 2.23 O ATOM 711 OD2 ASP A 67 -37.086 -12.673 -48.601 1.00 61.43 O ATOM 0 H ASP A 67 -32.536 -13.608 -47.517 1.00 43.23 H new ATOM 0 HA ASP A 67 -33.985 -11.750 -49.005 1.00 41.33 H new ATOM 0 HB2 ASP A 67 -34.287 -14.313 -48.639 1.00 74.54 H new ATOM 0 HB3 ASP A 67 -35.222 -13.867 -47.225 1.00 74.54 H new ATOM 716 N SER A 68 -34.147 -11.252 -45.839 1.00 54.04 N ATOM 717 CA SER A 68 -34.682 -10.393 -44.790 1.00 13.32 C ATOM 718 C SER A 68 -33.851 -9.120 -44.653 1.00 74.42 C ATOM 719 O SER A 68 -34.089 -8.302 -43.765 1.00 2.32 O ATOM 720 CB SER A 68 -34.714 -11.141 -43.456 1.00 4.34 C ATOM 721 OG SER A 68 -34.974 -10.255 -42.380 1.00 75.14 O ATOM 0 H SER A 68 -33.321 -11.785 -45.567 1.00 54.04 H new ATOM 0 HA SER A 68 -35.699 -10.114 -45.066 1.00 13.32 H new ATOM 0 HB2 SER A 68 -35.481 -11.915 -43.488 1.00 4.34 H new ATOM 0 HB3 SER A 68 -33.761 -11.644 -43.295 1.00 4.34 H new ATOM 0 HG SER A 68 -35.069 -9.342 -42.724 1.00 75.14 H new ATOM 727 N LYS A 69 -32.875 -8.961 -45.540 1.00 70.01 N ATOM 728 CA LYS A 69 -32.008 -7.789 -45.522 1.00 22.02 C ATOM 729 C LYS A 69 -32.819 -6.509 -45.693 1.00 54.11 C ATOM 730 O LYS A 69 -33.908 -6.525 -46.268 1.00 20.10 O ATOM 731 CB LYS A 69 -30.956 -7.890 -46.628 1.00 64.35 C ATOM 732 CG LYS A 69 -29.706 -7.072 -46.356 1.00 4.31 C ATOM 733 CD LYS A 69 -28.747 -7.808 -45.436 1.00 5.14 C ATOM 734 CE LYS A 69 -28.012 -8.919 -46.170 1.00 22.01 C ATOM 735 NZ LYS A 69 -26.562 -8.944 -45.830 1.00 71.14 N1+ ATOM 0 H LYS A 69 -32.664 -9.630 -46.281 1.00 70.01 H new ATOM 0 HA LYS A 69 -31.507 -7.754 -44.555 1.00 22.02 H new ATOM 0 HB2 LYS A 69 -30.675 -8.935 -46.756 1.00 64.35 H new ATOM 0 HB3 LYS A 69 -31.398 -7.561 -47.569 1.00 64.35 H new ATOM 0 HG2 LYS A 69 -29.206 -6.845 -47.298 1.00 4.31 H new ATOM 0 HG3 LYS A 69 -29.984 -6.119 -45.906 1.00 4.31 H new ATOM 0 HD2 LYS A 69 -28.025 -7.104 -45.023 1.00 5.14 H new ATOM 0 HD3 LYS A 69 -29.299 -8.229 -44.595 1.00 5.14 H new ATOM 0 HE2 LYS A 69 -28.461 -9.880 -45.918 1.00 22.01 H new ATOM 0 HE3 LYS A 69 -28.131 -8.784 -47.245 1.00 22.01 H new ATOM 0 HZ1 LYS A 69 -26.051 -9.516 -46.532 1.00 71.14 H new ATOM 0 HZ2 LYS A 69 -26.187 -7.974 -45.835 1.00 71.14 H new ATOM 0 HZ3 LYS A 69 -26.434 -9.359 -44.885 1.00 71.14 H new ATOM 749 N ASP A 70 -32.282 -5.402 -45.192 1.00 73.01 N ATOM 750 CA ASP A 70 -32.956 -4.112 -45.292 1.00 62.42 C ATOM 751 C ASP A 70 -31.945 -2.970 -45.293 1.00 62.02 C ATOM 752 O ASP A 70 -30.743 -3.192 -45.156 1.00 23.15 O ATOM 753 CB ASP A 70 -33.941 -3.937 -44.136 1.00 14.41 C ATOM 754 CG ASP A 70 -35.182 -4.792 -44.298 1.00 34.32 C ATOM 755 OD1 ASP A 70 -35.796 -4.747 -45.384 1.00 61.34 O ATOM 756 OD2 ASP A 70 -35.541 -5.506 -43.338 1.00 23.34 O ATOM 0 H ASP A 70 -31.382 -5.372 -44.713 1.00 73.01 H new ATOM 0 HA ASP A 70 -33.505 -4.088 -46.233 1.00 62.42 H new ATOM 0 HB2 ASP A 70 -33.446 -4.194 -43.199 1.00 14.41 H new ATOM 0 HB3 ASP A 70 -34.232 -2.889 -44.066 1.00 14.41 H new ATOM 761 N ASN A 71 -32.441 -1.747 -45.451 1.00 33.34 N ATOM 762 CA ASN A 71 -31.581 -0.570 -45.471 1.00 50.24 C ATOM 763 C ASN A 71 -31.321 -0.061 -44.057 1.00 22.22 C ATOM 764 O ASN A 71 -30.760 1.019 -43.867 1.00 20.01 O ATOM 765 CB ASN A 71 -32.217 0.537 -46.315 1.00 1.34 C ATOM 766 CG ASN A 71 -33.411 1.173 -45.629 1.00 31.40 C ATOM 767 OD1 ASN A 71 -33.259 1.948 -44.685 1.00 41.32 O ATOM 768 ND2 ASN A 71 -34.608 0.845 -46.102 1.00 0.11 N ATOM 0 H ASN A 71 -33.434 -1.546 -45.567 1.00 33.34 H new ATOM 0 HA ASN A 71 -30.628 -0.855 -45.916 1.00 50.24 H new ATOM 0 HB2 ASN A 71 -31.471 1.304 -46.525 1.00 1.34 H new ATOM 0 HB3 ASN A 71 -32.530 0.125 -47.274 1.00 1.34 H new ATOM 0 HD21 ASN A 71 -35.449 1.240 -45.681 1.00 0.11 H new ATOM 0 HD22 ASN A 71 -34.687 0.198 -46.887 1.00 0.11 H new ATOM 775 N LEU A 72 -31.731 -0.846 -43.067 1.00 72.40 N ATOM 776 CA LEU A 72 -31.542 -0.477 -41.669 1.00 12.35 C ATOM 777 C LEU A 72 -30.066 -0.528 -41.286 1.00 74.42 C ATOM 778 O LEU A 72 -29.252 -1.119 -41.995 1.00 64.42 O ATOM 779 CB LEU A 72 -32.349 -1.407 -40.761 1.00 62.20 C ATOM 780 CG LEU A 72 -33.811 -1.022 -40.535 1.00 73.40 C ATOM 781 CD1 LEU A 72 -34.705 -1.690 -41.569 1.00 2.12 C ATOM 782 CD2 LEU A 72 -34.250 -1.397 -39.127 1.00 22.02 C ATOM 0 H LEU A 72 -32.197 -1.743 -43.207 1.00 72.40 H new ATOM 0 HA LEU A 72 -31.897 0.545 -41.538 1.00 12.35 H new ATOM 0 HB2 LEU A 72 -32.320 -2.411 -41.185 1.00 62.20 H new ATOM 0 HB3 LEU A 72 -31.853 -1.456 -39.792 1.00 62.20 H new ATOM 0 HG LEU A 72 -33.904 0.058 -40.648 1.00 73.40 H new ATOM 0 HD11 LEU A 72 -35.742 -1.404 -41.392 1.00 2.12 H new ATOM 0 HD12 LEU A 72 -34.406 -1.372 -42.568 1.00 2.12 H new ATOM 0 HD13 LEU A 72 -34.608 -2.773 -41.489 1.00 2.12 H new ATOM 0 HD21 LEU A 72 -35.293 -1.116 -38.984 1.00 22.02 H new ATOM 0 HD22 LEU A 72 -34.142 -2.472 -38.986 1.00 22.02 H new ATOM 0 HD23 LEU A 72 -33.630 -0.872 -38.401 1.00 22.02 H new ATOM 794 N ASP A 73 -29.730 0.092 -40.161 1.00 32.02 N ATOM 795 CA ASP A 73 -28.353 0.114 -39.682 1.00 21.01 C ATOM 796 C ASP A 73 -28.136 -0.942 -38.602 1.00 51.23 C ATOM 797 O ASP A 73 -29.043 -1.251 -37.831 1.00 12.00 O ATOM 798 CB ASP A 73 -28.002 1.499 -39.136 1.00 53.00 C ATOM 799 CG ASP A 73 -28.380 1.659 -37.676 1.00 61.35 C ATOM 800 OD1 ASP A 73 -29.501 1.252 -37.305 1.00 52.44 O ATOM 801 OD2 ASP A 73 -27.554 2.189 -36.905 1.00 3.10 O ATOM 0 H ASP A 73 -30.392 0.586 -39.563 1.00 32.02 H new ATOM 0 HA ASP A 73 -27.698 -0.113 -40.524 1.00 21.01 H new ATOM 0 HB2 ASP A 73 -26.932 1.672 -39.252 1.00 53.00 H new ATOM 0 HB3 ASP A 73 -28.514 2.259 -39.726 1.00 53.00 H new ATOM 806 N GLY A 74 -26.927 -1.493 -38.555 1.00 2.45 N ATOM 807 CA GLY A 74 -26.613 -2.509 -37.567 1.00 0.30 C ATOM 808 C GLY A 74 -26.037 -1.921 -36.294 1.00 21.42 C ATOM 809 O GLY A 74 -25.536 -0.797 -36.291 1.00 5.54 O ATOM 0 H GLY A 74 -26.160 -1.254 -39.183 1.00 2.45 H new ATOM 0 HA2 GLY A 74 -27.516 -3.070 -37.328 1.00 0.30 H new ATOM 0 HA3 GLY A 74 -25.901 -3.217 -37.992 1.00 0.30 H new ATOM 813 N THR A 75 -26.109 -2.683 -35.207 1.00 31.43 N ATOM 814 CA THR A 75 -25.593 -2.231 -33.921 1.00 35.22 C ATOM 815 C THR A 75 -24.166 -2.717 -33.699 1.00 63.13 C ATOM 816 O THR A 75 -23.630 -3.486 -34.498 1.00 22.33 O ATOM 817 CB THR A 75 -26.477 -2.721 -32.758 1.00 24.13 C ATOM 818 OG1 THR A 75 -27.382 -3.729 -33.221 1.00 53.21 O ATOM 819 CG2 THR A 75 -27.261 -1.568 -32.151 1.00 1.43 C ATOM 0 H THR A 75 -26.520 -3.616 -35.192 1.00 31.43 H new ATOM 0 HA THR A 75 -25.603 -1.141 -33.942 1.00 35.22 H new ATOM 0 HB THR A 75 -25.828 -3.142 -31.990 1.00 24.13 H new ATOM 0 HG1 THR A 75 -27.939 -4.036 -32.475 1.00 53.21 H new ATOM 0 HG21 THR A 75 -27.878 -1.939 -31.332 1.00 1.43 H new ATOM 0 HG22 THR A 75 -26.568 -0.816 -31.772 1.00 1.43 H new ATOM 0 HG23 THR A 75 -27.900 -1.121 -32.913 1.00 1.43 H new ATOM 827 N CYS A 76 -23.554 -2.264 -32.610 1.00 62.31 N ATOM 828 CA CYS A 76 -22.187 -2.653 -32.283 1.00 14.14 C ATOM 829 C CYS A 76 -22.122 -3.298 -30.901 1.00 45.31 C ATOM 830 O CYS A 76 -22.796 -2.862 -29.968 1.00 54.31 O ATOM 831 CB CYS A 76 -21.262 -1.435 -32.334 1.00 35.31 C ATOM 832 SG CYS A 76 -20.137 -1.416 -33.766 1.00 73.04 S ATOM 0 H CYS A 76 -23.983 -1.627 -31.939 1.00 62.31 H new ATOM 0 HA CYS A 76 -21.856 -3.383 -33.022 1.00 14.14 H new ATOM 0 HB2 CYS A 76 -21.870 -0.531 -32.351 1.00 35.31 H new ATOM 0 HB3 CYS A 76 -20.670 -1.403 -31.420 1.00 35.31 H new ATOM 837 N TYR A 77 -21.304 -4.338 -30.778 1.00 52.53 N ATOM 838 CA TYR A 77 -21.151 -5.044 -29.512 1.00 73.10 C ATOM 839 C TYR A 77 -19.679 -5.300 -29.206 1.00 21.45 C ATOM 840 O TYR A 77 -18.889 -5.601 -30.102 1.00 1.43 O ATOM 841 CB TYR A 77 -21.914 -6.369 -29.548 1.00 34.30 C ATOM 842 CG TYR A 77 -21.293 -7.401 -30.462 1.00 21.34 C ATOM 843 CD1 TYR A 77 -20.270 -8.228 -30.013 1.00 73.53 C ATOM 844 CD2 TYR A 77 -21.727 -7.549 -31.773 1.00 12.20 C ATOM 845 CE1 TYR A 77 -19.699 -9.172 -30.844 1.00 62.45 C ATOM 846 CE2 TYR A 77 -21.163 -8.491 -32.611 1.00 23.03 C ATOM 847 CZ TYR A 77 -20.149 -9.300 -32.142 1.00 62.20 C ATOM 848 OH TYR A 77 -19.583 -10.239 -32.974 1.00 2.01 O ATOM 0 H TYR A 77 -20.737 -4.710 -31.540 1.00 52.53 H new ATOM 0 HA TYR A 77 -21.564 -4.416 -28.722 1.00 73.10 H new ATOM 0 HB2 TYR A 77 -21.967 -6.775 -28.538 1.00 34.30 H new ATOM 0 HB3 TYR A 77 -22.938 -6.180 -29.870 1.00 34.30 H new ATOM 0 HD1 TYR A 77 -19.916 -8.131 -28.997 1.00 73.53 H new ATOM 0 HD2 TYR A 77 -22.520 -6.916 -32.144 1.00 12.20 H new ATOM 0 HE1 TYR A 77 -18.905 -9.807 -30.480 1.00 62.45 H new ATOM 0 HE2 TYR A 77 -21.514 -8.594 -33.627 1.00 23.03 H new ATOM 0 HH TYR A 77 -20.015 -10.200 -33.853 1.00 2.01 H new ATOM 858 N LEU A 78 -19.317 -5.180 -27.933 1.00 61.41 N ATOM 859 CA LEU A 78 -17.939 -5.399 -27.506 1.00 34.54 C ATOM 860 C LEU A 78 -17.571 -6.877 -27.591 1.00 33.33 C ATOM 861 O LEU A 78 -18.377 -7.749 -27.262 1.00 54.21 O ATOM 862 CB LEU A 78 -17.742 -4.895 -26.075 1.00 51.42 C ATOM 863 CG LEU A 78 -16.461 -5.348 -25.374 1.00 33.31 C ATOM 864 CD1 LEU A 78 -15.788 -4.174 -24.680 1.00 34.43 C ATOM 865 CD2 LEU A 78 -16.763 -6.458 -24.377 1.00 53.13 C ATOM 0 H LEU A 78 -19.958 -4.932 -27.179 1.00 61.41 H new ATOM 0 HA LEU A 78 -17.284 -4.841 -28.175 1.00 34.54 H new ATOM 0 HB2 LEU A 78 -17.758 -3.805 -26.090 1.00 51.42 H new ATOM 0 HB3 LEU A 78 -18.594 -5.219 -25.477 1.00 51.42 H new ATOM 0 HG LEU A 78 -15.776 -5.739 -26.127 1.00 33.31 H new ATOM 0 HD11 LEU A 78 -14.878 -4.516 -24.187 1.00 34.43 H new ATOM 0 HD12 LEU A 78 -15.537 -3.411 -25.417 1.00 34.43 H new ATOM 0 HD13 LEU A 78 -16.466 -3.752 -23.938 1.00 34.43 H new ATOM 0 HD21 LEU A 78 -15.840 -6.768 -23.887 1.00 53.13 H new ATOM 0 HD22 LEU A 78 -17.466 -6.093 -23.628 1.00 53.13 H new ATOM 0 HD23 LEU A 78 -17.200 -7.309 -24.901 1.00 53.13 H new ATOM 877 N LEU A 79 -16.349 -7.153 -28.032 1.00 1.44 N ATOM 878 CA LEU A 79 -15.872 -8.526 -28.158 1.00 11.53 C ATOM 879 C LEU A 79 -15.648 -9.152 -26.785 1.00 64.24 C ATOM 880 O LEU A 79 -15.243 -8.475 -25.841 1.00 44.44 O ATOM 881 CB LEU A 79 -14.575 -8.563 -28.967 1.00 25.42 C ATOM 882 CG LEU A 79 -14.461 -9.684 -30.001 1.00 24.23 C ATOM 883 CD1 LEU A 79 -15.642 -9.649 -30.958 1.00 22.40 C ATOM 884 CD2 LEU A 79 -13.149 -9.574 -30.765 1.00 12.23 C ATOM 0 H LEU A 79 -15.670 -6.444 -28.309 1.00 1.44 H new ATOM 0 HA LEU A 79 -16.635 -9.104 -28.680 1.00 11.53 H new ATOM 0 HB2 LEU A 79 -14.464 -7.609 -29.482 1.00 25.42 H new ATOM 0 HB3 LEU A 79 -13.739 -8.650 -28.273 1.00 25.42 H new ATOM 0 HG LEU A 79 -14.473 -10.639 -29.476 1.00 24.23 H new ATOM 0 HD11 LEU A 79 -15.544 -10.454 -31.687 1.00 22.40 H new ATOM 0 HD12 LEU A 79 -16.568 -9.778 -30.398 1.00 22.40 H new ATOM 0 HD13 LEU A 79 -15.662 -8.690 -31.477 1.00 22.40 H new ATOM 0 HD21 LEU A 79 -13.085 -10.380 -31.496 1.00 12.23 H new ATOM 0 HD22 LEU A 79 -13.106 -8.614 -31.279 1.00 12.23 H new ATOM 0 HD23 LEU A 79 -12.315 -9.650 -30.068 1.00 12.23 H new ATOM 896 N ALA A 80 -15.911 -10.451 -26.683 1.00 54.22 N ATOM 897 CA ALA A 80 -15.734 -11.170 -25.428 1.00 11.12 C ATOM 898 C ALA A 80 -14.256 -11.394 -25.128 1.00 21.23 C ATOM 899 O ALA A 80 -13.839 -11.392 -23.969 1.00 31.21 O ATOM 900 CB ALA A 80 -16.473 -12.499 -25.472 1.00 33.10 C ATOM 0 H ALA A 80 -16.247 -11.027 -27.455 1.00 54.22 H new ATOM 0 HA ALA A 80 -16.152 -10.561 -24.627 1.00 11.12 H new ATOM 0 HB1 ALA A 80 -16.332 -13.025 -24.528 1.00 33.10 H new ATOM 0 HB2 ALA A 80 -17.536 -12.319 -25.632 1.00 33.10 H new ATOM 0 HB3 ALA A 80 -16.081 -13.106 -26.288 1.00 33.10 H new ATOM 906 N THR A 81 -13.466 -11.588 -26.179 1.00 60.43 N ATOM 907 CA THR A 81 -12.034 -11.816 -26.028 1.00 75.23 C ATOM 908 C THR A 81 -11.292 -10.507 -25.785 1.00 71.22 C ATOM 909 O THR A 81 -11.513 -9.517 -26.483 1.00 44.22 O ATOM 910 CB THR A 81 -11.441 -12.507 -27.271 1.00 12.51 C ATOM 911 OG1 THR A 81 -11.540 -11.640 -28.407 1.00 32.23 O ATOM 912 CG2 THR A 81 -12.163 -13.814 -27.560 1.00 21.22 C ATOM 0 H THR A 81 -13.794 -11.592 -27.145 1.00 60.43 H new ATOM 0 HA THR A 81 -11.907 -12.468 -25.164 1.00 75.23 H new ATOM 0 HB THR A 81 -10.392 -12.726 -27.072 1.00 12.51 H new ATOM 0 HG1 THR A 81 -11.160 -12.085 -29.193 1.00 32.23 H new ATOM 0 HG21 THR A 81 -11.727 -14.283 -28.442 1.00 21.22 H new ATOM 0 HG22 THR A 81 -12.061 -14.483 -26.705 1.00 21.22 H new ATOM 0 HG23 THR A 81 -13.219 -13.614 -27.740 1.00 21.22 H new ATOM 920 N THR A 82 -10.410 -10.508 -24.791 1.00 23.33 N ATOM 921 CA THR A 82 -9.635 -9.321 -24.455 1.00 43.52 C ATOM 922 C THR A 82 -8.373 -9.228 -25.306 1.00 74.54 C ATOM 923 O THR A 82 -7.638 -10.201 -25.477 1.00 30.14 O ATOM 924 CB THR A 82 -9.238 -9.311 -22.967 1.00 1.51 C ATOM 925 OG1 THR A 82 -10.410 -9.369 -22.147 1.00 33.11 O ATOM 926 CG2 THR A 82 -8.438 -8.062 -22.629 1.00 10.45 C ATOM 0 H THR A 82 -10.215 -11.319 -24.204 1.00 23.33 H new ATOM 0 HA THR A 82 -10.272 -8.461 -24.659 1.00 43.52 H new ATOM 0 HB THR A 82 -8.616 -10.185 -22.774 1.00 1.51 H new ATOM 0 HG1 THR A 82 -10.149 -9.364 -21.202 1.00 33.11 H new ATOM 0 HG21 THR A 82 -8.169 -8.077 -21.573 1.00 10.45 H new ATOM 0 HG22 THR A 82 -7.532 -8.036 -23.234 1.00 10.45 H new ATOM 0 HG23 THR A 82 -9.039 -7.177 -22.838 1.00 10.45 H new ATOM 934 N PRO A 83 -8.114 -8.032 -25.854 1.00 54.14 N ATOM 935 CA PRO A 83 -6.940 -7.784 -26.696 1.00 73.44 C ATOM 936 C PRO A 83 -5.640 -7.811 -25.900 1.00 51.43 C ATOM 937 O PRO A 83 -5.627 -8.175 -24.724 1.00 50.03 O ATOM 938 CB PRO A 83 -7.195 -6.383 -27.258 1.00 34.32 C ATOM 939 CG PRO A 83 -8.088 -5.732 -26.259 1.00 1.34 C ATOM 940 CD PRO A 83 -8.948 -6.828 -25.694 1.00 24.43 C ATOM 0 HA PRO A 83 -6.819 -8.549 -27.463 1.00 73.44 H new ATOM 0 HB2 PRO A 83 -6.264 -5.829 -27.378 1.00 34.32 H new ATOM 0 HB3 PRO A 83 -7.667 -6.430 -28.240 1.00 34.32 H new ATOM 0 HG2 PRO A 83 -7.507 -5.248 -25.474 1.00 1.34 H new ATOM 0 HG3 PRO A 83 -8.698 -4.959 -26.726 1.00 1.34 H new ATOM 0 HD2 PRO A 83 -9.195 -6.646 -24.648 1.00 24.43 H new ATOM 0 HD3 PRO A 83 -9.891 -6.918 -26.233 1.00 24.43 H new ATOM 948 N LYS A 84 -4.547 -7.422 -26.548 1.00 51.51 N ATOM 949 CA LYS A 84 -3.241 -7.398 -25.901 1.00 21.44 C ATOM 950 C LYS A 84 -2.800 -5.966 -25.616 1.00 61.14 C ATOM 951 O LYS A 84 -1.625 -5.709 -25.355 1.00 42.31 O ATOM 952 CB LYS A 84 -2.201 -8.099 -26.779 1.00 12.35 C ATOM 953 CG LYS A 84 -2.151 -9.604 -26.579 1.00 10.51 C ATOM 954 CD LYS A 84 -1.110 -10.251 -27.476 1.00 43.35 C ATOM 955 CE LYS A 84 -1.563 -10.275 -28.928 1.00 43.43 C ATOM 956 NZ LYS A 84 -0.418 -10.452 -29.864 1.00 24.13 N1+ ATOM 0 H LYS A 84 -4.540 -7.119 -27.522 1.00 51.51 H new ATOM 0 HA LYS A 84 -3.324 -7.929 -24.952 1.00 21.44 H new ATOM 0 HB2 LYS A 84 -2.419 -7.887 -27.826 1.00 12.35 H new ATOM 0 HB3 LYS A 84 -1.217 -7.680 -26.567 1.00 12.35 H new ATOM 0 HG2 LYS A 84 -1.923 -9.826 -25.537 1.00 10.51 H new ATOM 0 HG3 LYS A 84 -3.131 -10.033 -26.789 1.00 10.51 H new ATOM 0 HD2 LYS A 84 -0.170 -9.706 -27.396 1.00 43.35 H new ATOM 0 HD3 LYS A 84 -0.918 -11.269 -27.137 1.00 43.35 H new ATOM 0 HE2 LYS A 84 -2.278 -11.085 -29.072 1.00 43.43 H new ATOM 0 HE3 LYS A 84 -2.083 -9.346 -29.162 1.00 43.43 H new ATOM 0 HZ1 LYS A 84 -0.769 -10.463 -30.843 1.00 24.13 H new ATOM 0 HZ2 LYS A 84 0.252 -9.666 -29.745 1.00 24.13 H new ATOM 0 HZ3 LYS A 84 0.063 -11.351 -29.658 1.00 24.13 H new ATOM 970 N SER A 85 -3.750 -5.038 -25.668 1.00 1.12 N ATOM 971 CA SER A 85 -3.458 -3.631 -25.418 1.00 34.10 C ATOM 972 C SER A 85 -4.181 -3.140 -24.167 1.00 72.42 C ATOM 973 O SER A 85 -5.359 -3.434 -23.960 1.00 53.34 O ATOM 974 CB SER A 85 -3.867 -2.782 -26.623 1.00 51.02 C ATOM 975 OG SER A 85 -3.979 -1.414 -26.269 1.00 33.40 O ATOM 0 H SER A 85 -4.728 -5.235 -25.881 1.00 1.12 H new ATOM 0 HA SER A 85 -2.384 -3.531 -25.259 1.00 34.10 H new ATOM 0 HB2 SER A 85 -3.131 -2.896 -27.419 1.00 51.02 H new ATOM 0 HB3 SER A 85 -4.819 -3.138 -27.016 1.00 51.02 H new ATOM 0 HG SER A 85 -4.240 -0.893 -27.057 1.00 33.40 H new ATOM 981 N THR A 86 -3.466 -2.390 -23.334 1.00 74.41 N ATOM 982 CA THR A 86 -4.037 -1.859 -22.103 1.00 33.11 C ATOM 983 C THR A 86 -4.343 -0.372 -22.236 1.00 13.42 C ATOM 984 O THR A 86 -5.245 0.149 -21.578 1.00 41.11 O ATOM 985 CB THR A 86 -3.090 -2.072 -20.907 1.00 12.11 C ATOM 986 OG1 THR A 86 -2.803 -3.466 -20.751 1.00 72.13 O ATOM 987 CG2 THR A 86 -3.706 -1.530 -19.626 1.00 2.41 C ATOM 0 H THR A 86 -2.490 -2.137 -23.490 1.00 74.41 H new ATOM 0 HA THR A 86 -4.964 -2.403 -21.924 1.00 33.11 H new ATOM 0 HB THR A 86 -2.165 -1.531 -21.104 1.00 12.11 H new ATOM 0 HG1 THR A 86 -2.199 -3.592 -19.990 1.00 72.13 H new ATOM 0 HG21 THR A 86 -3.019 -1.692 -18.795 1.00 2.41 H new ATOM 0 HG22 THR A 86 -3.896 -0.462 -19.737 1.00 2.41 H new ATOM 0 HG23 THR A 86 -4.645 -2.047 -19.427 1.00 2.41 H new ATOM 995 N THR A 87 -3.587 0.309 -23.092 1.00 14.33 N ATOM 996 CA THR A 87 -3.778 1.738 -23.311 1.00 23.54 C ATOM 997 C THR A 87 -4.961 1.999 -24.235 1.00 14.33 C ATOM 998 O THR A 87 -5.127 1.329 -25.255 1.00 2.32 O ATOM 999 CB THR A 87 -2.517 2.386 -23.913 1.00 53.33 C ATOM 1000 OG1 THR A 87 -2.060 1.621 -25.034 1.00 34.21 O ATOM 1001 CG2 THR A 87 -1.410 2.485 -22.875 1.00 31.13 C ATOM 0 H THR A 87 -2.837 -0.106 -23.645 1.00 14.33 H new ATOM 0 HA THR A 87 -3.977 2.184 -22.337 1.00 23.54 H new ATOM 0 HB THR A 87 -2.775 3.393 -24.242 1.00 53.33 H new ATOM 0 HG1 THR A 87 -1.259 2.041 -25.412 1.00 34.21 H new ATOM 0 HG21 THR A 87 -0.530 2.946 -23.324 1.00 31.13 H new ATOM 0 HG22 THR A 87 -1.750 3.093 -22.037 1.00 31.13 H new ATOM 0 HG23 THR A 87 -1.155 1.487 -22.519 1.00 31.13 H new ATOM 1009 N THR A 88 -5.784 2.979 -23.872 1.00 71.23 N ATOM 1010 CA THR A 88 -6.953 3.329 -24.669 1.00 33.12 C ATOM 1011 C THR A 88 -6.728 4.628 -25.434 1.00 72.33 C ATOM 1012 O THR A 88 -6.967 4.699 -26.640 1.00 50.02 O ATOM 1013 CB THR A 88 -8.209 3.476 -23.789 1.00 20.12 C ATOM 1014 OG1 THR A 88 -7.850 4.007 -22.508 1.00 54.34 O ATOM 1015 CG2 THR A 88 -8.905 2.135 -23.610 1.00 63.13 C ATOM 0 H THR A 88 -5.662 3.544 -23.031 1.00 71.23 H new ATOM 0 HA THR A 88 -7.108 2.515 -25.378 1.00 33.12 H new ATOM 0 HB THR A 88 -8.896 4.160 -24.287 1.00 20.12 H new ATOM 0 HG1 THR A 88 -8.654 4.099 -21.955 1.00 54.34 H new ATOM 0 HG21 THR A 88 -9.789 2.264 -22.985 1.00 63.13 H new ATOM 0 HG22 THR A 88 -9.203 1.747 -24.584 1.00 63.13 H new ATOM 0 HG23 THR A 88 -8.223 1.432 -23.132 1.00 63.13 H new TER 1023 THR A 88