USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 926 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 65 CYS SG : rot 180:sc= 0.516 USER MOD Set 1.2: A 117 THR OG1 : rot 87:sc= 0.703 USER MOD Set 2.1: A 56 THR OG1 : rot 143:sc= -0.992 USER MOD Set 2.2: A 59 GLN :FLIP amide:sc= -1.02 F(o=-3,f=-2) USER MOD Single : A 3 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 91:sc= 0.119 USER MOD Single : A 18 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.5) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -143:sc=0.000876 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0661 X(o=-0.066,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.75 K(o=-3.7,f=-4.6) USER MOD Single : A 45 SER OG : rot 120:sc= 0.0858 USER MOD Single : A 46 THR OG1 : rot 52:sc= 1.19 USER MOD Single : A 68 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.106 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 103:sc= 0.954 USER MOD Single : A 88 LYS NZ :NH3+ -110:sc= -1.58 (180deg=-7.56!) USER MOD Single : A 97 ASN : amide:sc= -0.582 K(o=-0.58,f=-3.2!) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -84:sc= -1.18 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 108 ASN : amide:sc= -0.139 K(o=-0.14,f=-0.7) USER MOD Single : A 109 MET CE :methyl -170:sc= -1.22 (180deg=-1.37) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0918 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 2.937 3.524 2.100 1.00 13.00 N ATOM 2 CA GLY A 2 4.253 3.024 1.747 1.00 45.03 C ATOM 3 C GLY A 2 4.720 3.526 0.394 1.00 24.51 C ATOM 4 O GLY A 2 4.366 4.627 -0.022 1.00 42.11 O ATOM 0 HA2 GLY A 2 4.970 3.326 2.510 1.00 45.03 H new ATOM 0 HA3 GLY A 2 4.235 1.934 1.740 1.00 45.03 H new ATOM 8 N ASN A 3 5.518 2.714 -0.292 1.00 51.13 N ATOM 9 CA ASN A 3 6.036 3.084 -1.605 1.00 24.41 C ATOM 10 C ASN A 3 5.503 2.145 -2.683 1.00 71.00 C ATOM 11 O ASN A 3 5.266 0.963 -2.431 1.00 34.20 O ATOM 12 CB ASN A 3 7.566 3.054 -1.599 1.00 0.02 C ATOM 13 CG ASN A 3 8.160 4.069 -0.641 1.00 34.24 C ATOM 14 OD1 ASN A 3 8.609 5.139 -1.052 1.00 72.23 O ATOM 15 ND2 ASN A 3 8.164 3.736 0.645 1.00 1.31 N ATOM 0 H ASN A 3 5.820 1.797 0.038 1.00 51.13 H new ATOM 0 HA ASN A 3 5.699 4.096 -1.830 1.00 24.41 H new ATOM 0 HB2 ASN A 3 7.906 2.056 -1.323 1.00 0.02 H new ATOM 0 HB3 ASN A 3 7.935 3.250 -2.606 1.00 0.02 H new ATOM 0 HD21 ASN A 3 8.550 4.378 1.337 1.00 1.31 H new ATOM 0 HD22 ASN A 3 7.781 2.838 0.940 1.00 1.31 H new ATOM 22 N LEU A 4 5.316 2.680 -3.885 1.00 4.14 N ATOM 23 CA LEU A 4 4.812 1.891 -5.003 1.00 73.22 C ATOM 24 C LEU A 4 5.631 0.616 -5.185 1.00 14.44 C ATOM 25 O LEU A 4 6.753 0.654 -5.689 1.00 50.43 O ATOM 26 CB LEU A 4 4.841 2.717 -6.290 1.00 34.44 C ATOM 27 CG LEU A 4 6.163 3.416 -6.609 1.00 33.14 C ATOM 28 CD1 LEU A 4 6.501 3.269 -8.085 1.00 0.33 C ATOM 29 CD2 LEU A 4 6.098 4.886 -6.218 1.00 75.52 C ATOM 0 H LEU A 4 5.506 3.657 -4.110 1.00 4.14 H new ATOM 0 HA LEU A 4 3.782 1.610 -4.781 1.00 73.22 H new ATOM 0 HB2 LEU A 4 4.589 2.062 -7.124 1.00 34.44 H new ATOM 0 HB3 LEU A 4 4.058 3.473 -6.230 1.00 34.44 H new ATOM 0 HG LEU A 4 6.953 2.941 -6.027 1.00 33.14 H new ATOM 0 HD11 LEU A 4 7.445 3.772 -8.294 1.00 0.33 H new ATOM 0 HD12 LEU A 4 6.591 2.212 -8.334 1.00 0.33 H new ATOM 0 HD13 LEU A 4 5.710 3.717 -8.686 1.00 0.33 H new ATOM 0 HD21 LEU A 4 7.048 5.367 -6.452 1.00 75.52 H new ATOM 0 HD22 LEU A 4 5.297 5.375 -6.772 1.00 75.52 H new ATOM 0 HD23 LEU A 4 5.903 4.970 -5.149 1.00 75.52 H new ATOM 41 N LYS A 5 5.061 -0.511 -4.772 1.00 54.12 N ATOM 42 CA LYS A 5 5.737 -1.797 -4.893 1.00 31.24 C ATOM 43 C LYS A 5 6.230 -2.023 -6.318 1.00 40.51 C ATOM 44 O LYS A 5 5.542 -1.691 -7.283 1.00 53.33 O ATOM 45 CB LYS A 5 4.793 -2.930 -4.483 1.00 63.44 C ATOM 46 CG LYS A 5 4.718 -3.148 -2.982 1.00 34.32 C ATOM 47 CD LYS A 5 4.209 -4.538 -2.644 1.00 72.41 C ATOM 48 CE LYS A 5 5.249 -5.343 -1.880 1.00 62.41 C ATOM 49 NZ LYS A 5 4.632 -6.461 -1.112 1.00 41.21 N ATOM 0 H LYS A 5 4.133 -0.560 -4.351 1.00 54.12 H new ATOM 0 HA LYS A 5 6.600 -1.790 -4.227 1.00 31.24 H new ATOM 0 HB2 LYS A 5 3.794 -2.713 -4.860 1.00 63.44 H new ATOM 0 HB3 LYS A 5 5.120 -3.854 -4.960 1.00 63.44 H new ATOM 0 HG2 LYS A 5 5.705 -3.005 -2.543 1.00 34.32 H new ATOM 0 HG3 LYS A 5 4.060 -2.401 -2.538 1.00 34.32 H new ATOM 0 HD2 LYS A 5 3.300 -4.459 -2.048 1.00 72.41 H new ATOM 0 HD3 LYS A 5 3.944 -5.063 -3.562 1.00 72.41 H new ATOM 0 HE2 LYS A 5 5.983 -5.744 -2.579 1.00 62.41 H new ATOM 0 HE3 LYS A 5 5.786 -4.686 -1.196 1.00 62.41 H new ATOM 0 HZ1 LYS A 5 5.374 -6.985 -0.605 1.00 41.21 H new ATOM 0 HZ2 LYS A 5 3.950 -6.077 -0.427 1.00 41.21 H new ATOM 0 HZ3 LYS A 5 4.141 -7.102 -1.767 1.00 41.21 H new ATOM 63 N SER A 6 7.426 -2.589 -6.443 1.00 40.41 N ATOM 64 CA SER A 6 8.012 -2.856 -7.751 1.00 3.32 C ATOM 65 C SER A 6 7.069 -3.693 -8.608 1.00 75.13 C ATOM 66 O SER A 6 7.112 -3.633 -9.838 1.00 22.10 O ATOM 67 CB SER A 6 9.352 -3.577 -7.595 1.00 64.12 C ATOM 68 OG SER A 6 10.291 -2.767 -6.909 1.00 53.40 O ATOM 0 H SER A 6 8.008 -2.871 -5.654 1.00 40.41 H new ATOM 0 HA SER A 6 8.177 -1.901 -8.250 1.00 3.32 H new ATOM 0 HB2 SER A 6 9.205 -4.510 -7.050 1.00 64.12 H new ATOM 0 HB3 SER A 6 9.743 -3.840 -8.578 1.00 64.12 H new ATOM 0 HG SER A 6 11.138 -3.252 -6.821 1.00 53.40 H new ATOM 74 N ARG A 7 6.217 -4.473 -7.951 1.00 61.43 N ATOM 75 CA ARG A 7 5.263 -5.324 -8.653 1.00 35.12 C ATOM 76 C ARG A 7 4.076 -4.509 -9.159 1.00 0.00 C ATOM 77 O ARG A 7 3.881 -4.361 -10.366 1.00 25.53 O ATOM 78 CB ARG A 7 4.770 -6.442 -7.732 1.00 44.53 C ATOM 79 CG ARG A 7 4.107 -7.592 -8.471 1.00 63.51 C ATOM 80 CD ARG A 7 4.948 -8.857 -8.403 1.00 73.34 C ATOM 81 NE ARG A 7 6.052 -8.832 -9.359 1.00 73.01 N ATOM 82 CZ ARG A 7 6.885 -9.850 -9.546 1.00 53.24 C ATOM 83 NH1 ARG A 7 6.741 -10.968 -8.848 1.00 14.22 N ATOM 84 NH2 ARG A 7 7.866 -9.751 -10.436 1.00 1.24 N ATOM 0 H ARG A 7 6.168 -4.533 -6.934 1.00 61.43 H new ATOM 0 HA ARG A 7 5.771 -5.765 -9.510 1.00 35.12 H new ATOM 0 HB2 ARG A 7 5.613 -6.828 -7.159 1.00 44.53 H new ATOM 0 HB3 ARG A 7 4.062 -6.025 -7.016 1.00 44.53 H new ATOM 0 HG2 ARG A 7 3.124 -7.784 -8.041 1.00 63.51 H new ATOM 0 HG3 ARG A 7 3.950 -7.314 -9.513 1.00 63.51 H new ATOM 0 HD2 ARG A 7 5.344 -8.975 -7.394 1.00 73.34 H new ATOM 0 HD3 ARG A 7 4.317 -9.723 -8.601 1.00 73.34 H new ATOM 0 HE ARG A 7 6.191 -7.987 -9.913 1.00 73.01 H new ATOM 0 HH11 ARG A 7 5.988 -11.049 -8.164 1.00 14.22 H new ATOM 0 HH12 ARG A 7 7.383 -11.747 -8.995 1.00 14.22 H new ATOM 0 HH21 ARG A 7 7.980 -8.893 -10.976 1.00 1.24 H new ATOM 0 HH22 ARG A 7 8.505 -10.533 -10.579 1.00 1.24 H new ATOM 98 N ASP A 8 3.288 -3.981 -8.229 1.00 31.04 N ATOM 99 CA ASP A 8 2.121 -3.180 -8.579 1.00 73.31 C ATOM 100 C ASP A 8 2.514 -2.016 -9.485 1.00 3.45 C ATOM 101 O ASP A 8 1.699 -1.521 -10.264 1.00 22.00 O ATOM 102 CB ASP A 8 1.439 -2.654 -7.316 1.00 12.32 C ATOM 103 CG ASP A 8 0.087 -3.295 -7.078 1.00 13.02 C ATOM 104 OD1 ASP A 8 -0.205 -3.652 -5.918 1.00 1.13 O ATOM 105 OD2 ASP A 8 -0.681 -3.439 -8.052 1.00 12.33 O ATOM 0 H ASP A 8 3.436 -4.093 -7.226 1.00 31.04 H new ATOM 0 HA ASP A 8 1.421 -3.817 -9.120 1.00 73.31 H new ATOM 0 HB2 ASP A 8 2.082 -2.839 -6.456 1.00 12.32 H new ATOM 0 HB3 ASP A 8 1.317 -1.574 -7.396 1.00 12.32 H new ATOM 110 N TRP A 9 3.764 -1.583 -9.374 1.00 30.33 N ATOM 111 CA TRP A 9 4.264 -0.476 -10.181 1.00 72.30 C ATOM 112 C TRP A 9 4.534 -0.926 -11.612 1.00 54.41 C ATOM 113 O TRP A 9 3.862 -0.489 -12.548 1.00 71.34 O ATOM 114 CB TRP A 9 5.541 0.096 -9.564 1.00 72.10 C ATOM 115 CG TRP A 9 6.214 1.116 -10.431 1.00 14.31 C ATOM 116 CD1 TRP A 9 7.535 1.157 -10.774 1.00 43.21 C ATOM 117 CD2 TRP A 9 5.599 2.245 -11.062 1.00 75.40 C ATOM 118 NE1 TRP A 9 7.778 2.243 -11.581 1.00 22.10 N ATOM 119 CE2 TRP A 9 6.606 2.925 -11.774 1.00 2.11 C ATOM 120 CE3 TRP A 9 4.294 2.745 -11.099 1.00 21.02 C ATOM 121 CZ2 TRP A 9 6.348 4.078 -12.510 1.00 30.12 C ATOM 122 CZ3 TRP A 9 4.039 3.889 -11.829 1.00 42.54 C ATOM 123 CH2 TRP A 9 5.062 4.546 -12.528 1.00 4.03 C ATOM 0 H TRP A 9 4.450 -1.981 -8.733 1.00 30.33 H new ATOM 0 HA TRP A 9 3.500 0.301 -10.202 1.00 72.30 H new ATOM 0 HB2 TRP A 9 5.300 0.549 -8.602 1.00 72.10 H new ATOM 0 HB3 TRP A 9 6.237 -0.719 -9.367 1.00 72.10 H new ATOM 0 HD1 TRP A 9 8.280 0.441 -10.458 1.00 43.21 H new ATOM 0 HE1 TRP A 9 8.684 2.499 -11.973 1.00 22.10 H new ATOM 0 HE3 TRP A 9 3.499 2.245 -10.566 1.00 21.02 H new ATOM 0 HZ2 TRP A 9 7.135 4.585 -13.048 1.00 30.12 H new ATOM 0 HZ3 TRP A 9 3.035 4.285 -11.862 1.00 42.54 H new ATOM 0 HH2 TRP A 9 4.831 5.438 -13.091 1.00 4.03 H new ATOM 134 N LYS A 10 5.521 -1.799 -11.778 1.00 64.13 N ATOM 135 CA LYS A 10 5.879 -2.309 -13.097 1.00 32.31 C ATOM 136 C LYS A 10 4.676 -2.957 -13.774 1.00 62.34 C ATOM 137 O LYS A 10 4.577 -2.973 -15.001 1.00 43.32 O ATOM 138 CB LYS A 10 7.021 -3.321 -12.982 1.00 31.13 C ATOM 139 CG LYS A 10 8.342 -2.703 -12.560 1.00 44.44 C ATOM 140 CD LYS A 10 9.519 -3.580 -12.952 1.00 3.04 C ATOM 141 CE LYS A 10 9.991 -3.281 -14.367 1.00 71.20 C ATOM 142 NZ LYS A 10 10.873 -4.358 -14.896 1.00 54.24 N ATOM 0 H LYS A 10 6.088 -2.169 -11.015 1.00 64.13 H new ATOM 0 HA LYS A 10 6.208 -1.468 -13.708 1.00 32.31 H new ATOM 0 HB2 LYS A 10 6.743 -4.090 -12.261 1.00 31.13 H new ATOM 0 HB3 LYS A 10 7.153 -3.818 -13.943 1.00 31.13 H new ATOM 0 HG2 LYS A 10 8.449 -1.721 -13.021 1.00 44.44 H new ATOM 0 HG3 LYS A 10 8.345 -2.550 -11.481 1.00 44.44 H new ATOM 0 HD2 LYS A 10 10.340 -3.422 -12.253 1.00 3.04 H new ATOM 0 HD3 LYS A 10 9.233 -4.629 -12.877 1.00 3.04 H new ATOM 0 HE2 LYS A 10 9.127 -3.165 -15.021 1.00 71.20 H new ATOM 0 HE3 LYS A 10 10.529 -2.333 -14.378 1.00 71.20 H new ATOM 0 HZ1 LYS A 10 11.174 -4.117 -15.862 1.00 54.24 H new ATOM 0 HZ2 LYS A 10 11.710 -4.452 -14.286 1.00 54.24 H new ATOM 0 HZ3 LYS A 10 10.352 -5.258 -14.910 1.00 54.24 H new ATOM 156 N MET A 11 3.765 -3.492 -12.967 1.00 40.32 N ATOM 157 CA MET A 11 2.568 -4.139 -13.491 1.00 2.32 C ATOM 158 C MET A 11 1.574 -3.105 -14.011 1.00 22.21 C ATOM 159 O MET A 11 1.214 -3.115 -15.188 1.00 64.14 O ATOM 160 CB MET A 11 1.910 -4.995 -12.407 1.00 5.53 C ATOM 161 CG MET A 11 2.643 -6.298 -12.133 1.00 33.11 C ATOM 162 SD MET A 11 1.846 -7.719 -12.907 1.00 51.21 S ATOM 163 CE MET A 11 3.267 -8.579 -13.578 1.00 35.44 C ATOM 0 H MET A 11 3.833 -3.490 -11.949 1.00 40.32 H new ATOM 0 HA MET A 11 2.865 -4.780 -14.321 1.00 2.32 H new ATOM 0 HB2 MET A 11 1.854 -4.418 -11.484 1.00 5.53 H new ATOM 0 HB3 MET A 11 0.886 -5.220 -12.705 1.00 5.53 H new ATOM 0 HG2 MET A 11 3.667 -6.218 -12.497 1.00 33.11 H new ATOM 0 HG3 MET A 11 2.699 -6.459 -11.056 1.00 33.11 H new ATOM 0 HE1 MET A 11 2.937 -9.483 -14.089 1.00 35.44 H new ATOM 0 HE2 MET A 11 3.784 -7.930 -14.285 1.00 35.44 H new ATOM 0 HE3 MET A 11 3.946 -8.847 -12.768 1.00 35.44 H new ATOM 173 N ALA A 12 1.134 -2.216 -13.127 1.00 13.22 N ATOM 174 CA ALA A 12 0.184 -1.175 -13.499 1.00 34.23 C ATOM 175 C ALA A 12 0.659 -0.412 -14.730 1.00 64.30 C ATOM 176 O ALA A 12 -0.143 -0.034 -15.585 1.00 72.23 O ATOM 177 CB ALA A 12 -0.035 -0.220 -12.334 1.00 74.14 C ATOM 0 H ALA A 12 1.420 -2.196 -12.148 1.00 13.22 H new ATOM 0 HA ALA A 12 -0.764 -1.654 -13.745 1.00 34.23 H new ATOM 0 HB1 ALA A 12 -0.747 0.552 -12.626 1.00 74.14 H new ATOM 0 HB2 ALA A 12 -0.428 -0.772 -11.480 1.00 74.14 H new ATOM 0 HB3 ALA A 12 0.913 0.244 -12.061 1.00 74.14 H new ATOM 183 N ILE A 13 1.965 -0.188 -14.813 1.00 51.44 N ATOM 184 CA ILE A 13 2.547 0.531 -15.942 1.00 4.12 C ATOM 185 C ILE A 13 2.668 -0.372 -17.164 1.00 60.44 C ATOM 186 O ILE A 13 2.607 0.093 -18.302 1.00 53.40 O ATOM 187 CB ILE A 13 3.936 1.094 -15.593 1.00 43.54 C ATOM 188 CG1 ILE A 13 3.824 2.137 -14.479 1.00 30.12 C ATOM 189 CG2 ILE A 13 4.587 1.700 -16.828 1.00 74.12 C ATOM 190 CD1 ILE A 13 3.093 3.393 -14.899 1.00 32.32 C ATOM 0 H ILE A 13 2.641 -0.493 -14.113 1.00 51.44 H new ATOM 0 HA ILE A 13 1.876 1.359 -16.171 1.00 4.12 H new ATOM 0 HB ILE A 13 4.563 0.277 -15.238 1.00 43.54 H new ATOM 0 HG12 ILE A 13 3.308 1.693 -13.628 1.00 30.12 H new ATOM 0 HG13 ILE A 13 4.825 2.405 -14.141 1.00 30.12 H new ATOM 0 HG21 ILE A 13 5.569 2.094 -16.565 1.00 74.12 H new ATOM 0 HG22 ILE A 13 4.697 0.933 -17.595 1.00 74.12 H new ATOM 0 HG23 ILE A 13 3.962 2.507 -17.210 1.00 74.12 H new ATOM 0 HD11 ILE A 13 3.051 4.088 -14.060 1.00 32.32 H new ATOM 0 HD12 ILE A 13 3.620 3.860 -15.731 1.00 32.32 H new ATOM 0 HD13 ILE A 13 2.080 3.138 -15.209 1.00 32.32 H new ATOM 202 N LYS A 14 2.840 -1.667 -16.923 1.00 23.45 N ATOM 203 CA LYS A 14 2.966 -2.638 -18.003 1.00 10.42 C ATOM 204 C LYS A 14 1.648 -2.792 -18.754 1.00 22.23 C ATOM 205 O LYS A 14 1.631 -2.935 -19.976 1.00 43.44 O ATOM 206 CB LYS A 14 3.411 -3.994 -17.448 1.00 52.12 C ATOM 207 CG LYS A 14 3.354 -5.116 -18.470 1.00 20.10 C ATOM 208 CD LYS A 14 4.370 -6.203 -18.161 1.00 13.00 C ATOM 209 CE LYS A 14 3.950 -7.542 -18.749 1.00 74.14 C ATOM 210 NZ LYS A 14 4.421 -8.685 -17.918 1.00 55.24 N ATOM 0 H LYS A 14 2.895 -2.069 -15.987 1.00 23.45 H new ATOM 0 HA LYS A 14 3.720 -2.272 -18.700 1.00 10.42 H new ATOM 0 HB2 LYS A 14 4.431 -3.907 -17.073 1.00 52.12 H new ATOM 0 HB3 LYS A 14 2.780 -4.255 -16.599 1.00 52.12 H new ATOM 0 HG2 LYS A 14 2.353 -5.546 -18.484 1.00 20.10 H new ATOM 0 HG3 LYS A 14 3.542 -4.713 -19.465 1.00 20.10 H new ATOM 0 HD2 LYS A 14 5.343 -5.918 -18.561 1.00 13.00 H new ATOM 0 HD3 LYS A 14 4.485 -6.299 -17.081 1.00 13.00 H new ATOM 0 HE2 LYS A 14 2.864 -7.577 -18.833 1.00 74.14 H new ATOM 0 HE3 LYS A 14 4.351 -7.637 -19.758 1.00 74.14 H new ATOM 0 HZ1 LYS A 14 4.115 -9.579 -18.352 1.00 55.24 H new ATOM 0 HZ2 LYS A 14 5.459 -8.667 -17.859 1.00 55.24 H new ATOM 0 HZ3 LYS A 14 4.018 -8.608 -16.962 1.00 55.24 H new ATOM 224 N ARG A 15 0.543 -2.760 -18.014 1.00 1.41 N ATOM 225 CA ARG A 15 -0.779 -2.896 -18.611 1.00 12.13 C ATOM 226 C ARG A 15 -1.210 -1.594 -19.281 1.00 54.43 C ATOM 227 O ARG A 15 -1.646 -1.592 -20.433 1.00 11.12 O ATOM 228 CB ARG A 15 -1.804 -3.295 -17.547 1.00 64.45 C ATOM 229 CG ARG A 15 -2.154 -4.775 -17.566 1.00 14.00 C ATOM 230 CD ARG A 15 -1.038 -5.620 -16.976 1.00 44.25 C ATOM 231 NE ARG A 15 -0.904 -6.905 -17.658 1.00 60.21 N ATOM 232 CZ ARG A 15 0.085 -7.761 -17.427 1.00 5.21 C ATOM 233 NH1 ARG A 15 1.023 -7.470 -16.536 1.00 43.00 N ATOM 234 NH2 ARG A 15 0.138 -8.910 -18.087 1.00 50.14 N ATOM 0 H ARG A 15 0.538 -2.641 -17.001 1.00 1.41 H new ATOM 0 HA ARG A 15 -0.728 -3.677 -19.370 1.00 12.13 H new ATOM 0 HB2 ARG A 15 -1.414 -3.035 -16.563 1.00 64.45 H new ATOM 0 HB3 ARG A 15 -2.714 -2.713 -17.694 1.00 64.45 H new ATOM 0 HG2 ARG A 15 -3.073 -4.940 -17.003 1.00 14.00 H new ATOM 0 HG3 ARG A 15 -2.347 -5.091 -18.591 1.00 14.00 H new ATOM 0 HD2 ARG A 15 -0.097 -5.075 -17.043 1.00 44.25 H new ATOM 0 HD3 ARG A 15 -1.233 -5.790 -15.917 1.00 44.25 H new ATOM 0 HE ARG A 15 -1.609 -7.159 -18.350 1.00 60.21 H new ATOM 0 HH11 ARG A 15 0.986 -6.587 -16.026 1.00 43.00 H new ATOM 0 HH12 ARG A 15 1.782 -8.129 -16.360 1.00 43.00 H new ATOM 0 HH21 ARG A 15 -0.581 -9.138 -18.773 1.00 50.14 H new ATOM 0 HH22 ARG A 15 0.898 -9.566 -17.908 1.00 50.14 H new ATOM 248 N CYS A 16 -1.085 -0.490 -18.553 1.00 30.01 N ATOM 249 CA CYS A 16 -1.461 0.818 -19.077 1.00 13.53 C ATOM 250 C CYS A 16 -0.772 1.090 -20.410 1.00 33.33 C ATOM 251 O CYS A 16 -1.383 1.617 -21.340 1.00 60.04 O ATOM 252 CB CYS A 16 -1.105 1.915 -18.072 1.00 75.14 C ATOM 253 SG CYS A 16 -1.888 3.509 -18.412 1.00 43.41 S ATOM 0 H CYS A 16 -0.726 -0.475 -17.598 1.00 30.01 H new ATOM 0 HA CYS A 16 -2.539 0.820 -19.240 1.00 13.53 H new ATOM 0 HB2 CYS A 16 -1.394 1.586 -17.074 1.00 75.14 H new ATOM 0 HB3 CYS A 16 -0.023 2.048 -18.063 1.00 75.14 H new ATOM 0 HG CYS A 16 -1.528 4.371 -17.508 1.00 43.41 H new ATOM 259 N SER A 17 0.504 0.727 -20.495 1.00 75.23 N ATOM 260 CA SER A 17 1.279 0.936 -21.713 1.00 32.14 C ATOM 261 C SER A 17 0.614 0.252 -22.903 1.00 61.15 C ATOM 262 O SER A 17 0.818 0.644 -24.051 1.00 70.24 O ATOM 263 CB SER A 17 2.701 0.404 -21.534 1.00 43.34 C ATOM 264 OG SER A 17 3.535 1.373 -20.920 1.00 21.41 O ATOM 0 H SER A 17 1.023 0.287 -19.735 1.00 75.23 H new ATOM 0 HA SER A 17 1.321 2.007 -21.909 1.00 32.14 H new ATOM 0 HB2 SER A 17 2.680 -0.500 -20.926 1.00 43.34 H new ATOM 0 HB3 SER A 17 3.114 0.127 -22.504 1.00 43.34 H new ATOM 0 HG SER A 17 3.508 1.258 -19.947 1.00 21.41 H new ATOM 270 N ASN A 18 -0.184 -0.774 -22.620 1.00 40.54 N ATOM 271 CA ASN A 18 -0.878 -1.513 -23.667 1.00 32.20 C ATOM 272 C ASN A 18 -2.299 -0.991 -23.850 1.00 33.43 C ATOM 273 O ASN A 18 -3.194 -1.727 -24.269 1.00 25.12 O ATOM 274 CB ASN A 18 -0.910 -3.005 -23.331 1.00 3.11 C ATOM 275 CG ASN A 18 0.435 -3.674 -23.537 1.00 52.24 C ATOM 276 OD1 ASN A 18 1.383 -3.051 -24.018 1.00 72.42 O ATOM 277 ND2 ASN A 18 0.524 -4.948 -23.176 1.00 70.23 N ATOM 0 H ASN A 18 -0.365 -1.111 -21.675 1.00 40.54 H new ATOM 0 HA ASN A 18 -0.334 -1.369 -24.601 1.00 32.20 H new ATOM 0 HB2 ASN A 18 -1.222 -3.134 -22.295 1.00 3.11 H new ATOM 0 HB3 ASN A 18 -1.657 -3.499 -23.953 1.00 3.11 H new ATOM 0 HD21 ASN A 18 1.404 -5.451 -23.293 1.00 70.23 H new ATOM 0 HD22 ASN A 18 -0.287 -5.424 -22.782 1.00 70.23 H new ATOM 284 N VAL A 19 -2.501 0.285 -23.535 1.00 63.51 N ATOM 285 CA VAL A 19 -3.814 0.906 -23.666 1.00 43.34 C ATOM 286 C VAL A 19 -3.753 2.131 -24.572 1.00 74.55 C ATOM 287 O VAL A 19 -2.728 2.807 -24.653 1.00 23.53 O ATOM 288 CB VAL A 19 -4.375 1.325 -22.294 1.00 32.31 C ATOM 289 CG1 VAL A 19 -5.818 1.790 -22.428 1.00 23.13 C ATOM 290 CG2 VAL A 19 -4.266 0.177 -21.301 1.00 53.24 C ATOM 0 H VAL A 19 -1.772 0.908 -23.187 1.00 63.51 H new ATOM 0 HA VAL A 19 -4.475 0.161 -24.109 1.00 43.34 H new ATOM 0 HB VAL A 19 -3.783 2.159 -21.917 1.00 32.31 H new ATOM 0 HG11 VAL A 19 -6.198 2.082 -21.449 1.00 23.13 H new ATOM 0 HG12 VAL A 19 -5.864 2.643 -23.105 1.00 23.13 H new ATOM 0 HG13 VAL A 19 -6.426 0.978 -22.826 1.00 23.13 H new ATOM 0 HG21 VAL A 19 -4.667 0.490 -20.337 1.00 53.24 H new ATOM 0 HG22 VAL A 19 -4.833 -0.678 -21.669 1.00 53.24 H new ATOM 0 HG23 VAL A 19 -3.220 -0.105 -21.184 1.00 53.24 H new ATOM 300 N ALA A 20 -4.860 2.409 -25.255 1.00 45.21 N ATOM 301 CA ALA A 20 -4.933 3.554 -26.155 1.00 21.24 C ATOM 302 C ALA A 20 -5.318 4.822 -25.400 1.00 44.01 C ATOM 303 O ALA A 20 -5.728 4.766 -24.241 1.00 35.21 O ATOM 304 CB ALA A 20 -5.928 3.281 -27.274 1.00 33.15 C ATOM 0 H ALA A 20 -5.717 1.858 -25.202 1.00 45.21 H new ATOM 0 HA ALA A 20 -3.945 3.708 -26.590 1.00 21.24 H new ATOM 0 HB1 ALA A 20 -5.973 4.143 -27.939 1.00 33.15 H new ATOM 0 HB2 ALA A 20 -5.610 2.404 -27.838 1.00 33.15 H new ATOM 0 HB3 ALA A 20 -6.915 3.100 -26.847 1.00 33.15 H new ATOM 310 N VAL A 21 -5.180 5.965 -26.064 1.00 42.30 N ATOM 311 CA VAL A 21 -5.513 7.248 -25.455 1.00 70.44 C ATOM 312 C VAL A 21 -6.981 7.595 -25.676 1.00 41.41 C ATOM 313 O VAL A 21 -7.596 8.282 -24.860 1.00 62.13 O ATOM 314 CB VAL A 21 -4.638 8.381 -26.022 1.00 0.50 C ATOM 315 CG1 VAL A 21 -3.170 8.129 -25.711 1.00 73.25 C ATOM 316 CG2 VAL A 21 -4.857 8.526 -27.520 1.00 32.40 C ATOM 0 H VAL A 21 -4.840 6.029 -27.024 1.00 42.30 H new ATOM 0 HA VAL A 21 -5.322 7.152 -24.386 1.00 70.44 H new ATOM 0 HB VAL A 21 -4.931 9.316 -25.544 1.00 0.50 H new ATOM 0 HG11 VAL A 21 -2.567 8.940 -26.120 1.00 73.25 H new ATOM 0 HG12 VAL A 21 -3.030 8.081 -24.631 1.00 73.25 H new ATOM 0 HG13 VAL A 21 -2.860 7.185 -26.159 1.00 73.25 H new ATOM 0 HG21 VAL A 21 -4.230 9.331 -27.903 1.00 32.40 H new ATOM 0 HG22 VAL A 21 -4.594 7.593 -28.018 1.00 32.40 H new ATOM 0 HG23 VAL A 21 -5.904 8.758 -27.714 1.00 32.40 H new ATOM 326 N GLY A 22 -7.537 7.117 -26.784 1.00 23.53 N ATOM 327 CA GLY A 22 -8.930 7.387 -27.091 1.00 54.33 C ATOM 328 C GLY A 22 -9.109 8.657 -27.900 1.00 52.31 C ATOM 329 O GLY A 22 -8.137 9.230 -28.393 1.00 10.43 O ATOM 0 H GLY A 22 -7.048 6.548 -27.475 1.00 23.53 H new ATOM 0 HA2 GLY A 22 -9.347 6.545 -27.644 1.00 54.33 H new ATOM 0 HA3 GLY A 22 -9.495 7.469 -26.162 1.00 54.33 H new ATOM 333 N VAL A 23 -10.355 9.098 -28.039 1.00 64.42 N ATOM 334 CA VAL A 23 -10.658 10.307 -28.793 1.00 13.14 C ATOM 335 C VAL A 23 -10.319 10.134 -30.269 1.00 73.44 C ATOM 336 O VAL A 23 -9.641 10.971 -30.864 1.00 60.33 O ATOM 337 CB VAL A 23 -9.890 11.522 -28.240 1.00 11.23 C ATOM 338 CG1 VAL A 23 -10.454 12.815 -28.809 1.00 22.05 C ATOM 339 CG2 VAL A 23 -9.935 11.533 -26.720 1.00 10.22 C ATOM 0 H VAL A 23 -11.171 8.635 -27.639 1.00 64.42 H new ATOM 0 HA VAL A 23 -11.728 10.485 -28.687 1.00 13.14 H new ATOM 0 HB VAL A 23 -8.848 11.443 -28.549 1.00 11.23 H new ATOM 0 HG11 VAL A 23 -9.899 13.662 -28.407 1.00 22.05 H new ATOM 0 HG12 VAL A 23 -10.363 12.805 -29.895 1.00 22.05 H new ATOM 0 HG13 VAL A 23 -11.505 12.906 -28.533 1.00 22.05 H new ATOM 0 HG21 VAL A 23 -9.387 12.398 -26.346 1.00 10.22 H new ATOM 0 HG22 VAL A 23 -10.971 11.588 -26.387 1.00 10.22 H new ATOM 0 HG23 VAL A 23 -9.478 10.621 -26.336 1.00 10.22 H new ATOM 349 N GLY A 24 -10.796 9.040 -30.856 1.00 74.11 N ATOM 350 CA GLY A 24 -10.533 8.776 -32.259 1.00 15.43 C ATOM 351 C GLY A 24 -10.388 7.296 -32.553 1.00 43.41 C ATOM 352 O GLY A 24 -9.898 6.536 -31.719 1.00 34.41 O ATOM 0 H GLY A 24 -11.360 8.332 -30.385 1.00 74.11 H new ATOM 0 HA2 GLY A 24 -11.344 9.185 -32.861 1.00 15.43 H new ATOM 0 HA3 GLY A 24 -9.622 9.294 -32.558 1.00 15.43 H new ATOM 356 N GLY A 25 -10.815 6.886 -33.743 1.00 52.12 N ATOM 357 CA GLY A 25 -10.722 5.488 -34.123 1.00 14.32 C ATOM 358 C GLY A 25 -9.326 4.928 -33.940 1.00 0.42 C ATOM 359 O GLY A 25 -9.130 3.952 -33.217 1.00 13.13 O ATOM 0 H GLY A 25 -11.224 7.496 -34.451 1.00 52.12 H new ATOM 0 HA2 GLY A 25 -11.425 4.905 -33.527 1.00 14.32 H new ATOM 0 HA3 GLY A 25 -11.020 5.378 -35.166 1.00 14.32 H new ATOM 363 N LYS A 26 -8.351 5.548 -34.598 1.00 21.32 N ATOM 364 CA LYS A 26 -6.965 5.106 -34.505 1.00 25.14 C ATOM 365 C LYS A 26 -6.136 6.085 -33.679 1.00 23.44 C ATOM 366 O LYS A 26 -5.733 7.139 -34.168 1.00 64.13 O ATOM 367 CB LYS A 26 -6.359 4.962 -35.903 1.00 10.20 C ATOM 368 CG LYS A 26 -6.587 3.596 -36.526 1.00 65.14 C ATOM 369 CD LYS A 26 -8.043 3.393 -36.907 1.00 72.52 C ATOM 370 CE LYS A 26 -8.685 2.286 -36.084 1.00 4.43 C ATOM 371 NZ LYS A 26 -9.820 1.646 -36.804 1.00 71.13 N ATOM 0 H LYS A 26 -8.496 6.358 -35.201 1.00 21.32 H new ATOM 0 HA LYS A 26 -6.952 4.136 -34.008 1.00 25.14 H new ATOM 0 HB2 LYS A 26 -6.784 5.725 -36.555 1.00 10.20 H new ATOM 0 HB3 LYS A 26 -5.287 5.152 -35.847 1.00 10.20 H new ATOM 0 HG2 LYS A 26 -5.960 3.490 -37.411 1.00 65.14 H new ATOM 0 HG3 LYS A 26 -6.282 2.820 -35.824 1.00 65.14 H new ATOM 0 HD2 LYS A 26 -8.592 4.323 -36.759 1.00 72.52 H new ATOM 0 HD3 LYS A 26 -8.112 3.147 -37.967 1.00 72.52 H new ATOM 0 HE2 LYS A 26 -7.936 1.532 -35.843 1.00 4.43 H new ATOM 0 HE3 LYS A 26 -9.040 2.696 -35.138 1.00 4.43 H new ATOM 0 HZ1 LYS A 26 -10.230 0.897 -36.210 1.00 71.13 H new ATOM 0 HZ2 LYS A 26 -10.547 2.361 -37.011 1.00 71.13 H new ATOM 0 HZ3 LYS A 26 -9.477 1.232 -37.694 1.00 71.13 H new ATOM 385 N SER A 27 -5.885 5.727 -32.423 1.00 51.53 N ATOM 386 CA SER A 27 -5.106 6.575 -31.528 1.00 45.30 C ATOM 387 C SER A 27 -3.782 5.909 -31.164 1.00 52.31 C ATOM 388 O SER A 27 -3.451 4.839 -31.673 1.00 73.54 O ATOM 389 CB SER A 27 -5.902 6.879 -30.258 1.00 14.31 C ATOM 390 OG SER A 27 -7.297 6.802 -30.499 1.00 60.21 O ATOM 0 H SER A 27 -6.210 4.856 -32.003 1.00 51.53 H new ATOM 0 HA SER A 27 -4.893 7.509 -32.047 1.00 45.30 H new ATOM 0 HB2 SER A 27 -5.626 6.173 -29.474 1.00 14.31 H new ATOM 0 HB3 SER A 27 -5.647 7.875 -29.895 1.00 14.31 H new ATOM 0 HG SER A 27 -7.757 7.499 -29.985 1.00 60.21 H new ATOM 396 N LYS A 28 -3.027 6.553 -30.280 1.00 40.12 N ATOM 397 CA LYS A 28 -1.739 6.025 -29.845 1.00 51.30 C ATOM 398 C LYS A 28 -1.853 5.382 -28.467 1.00 45.04 C ATOM 399 O LYS A 28 -2.889 5.475 -27.810 1.00 43.04 O ATOM 400 CB LYS A 28 -0.692 7.140 -29.815 1.00 54.43 C ATOM 401 CG LYS A 28 0.113 7.254 -31.098 1.00 33.13 C ATOM 402 CD LYS A 28 0.351 8.706 -31.481 1.00 24.11 C ATOM 403 CE LYS A 28 -0.543 9.133 -32.635 1.00 25.31 C ATOM 404 NZ LYS A 28 -0.300 10.547 -33.031 1.00 0.12 N ATOM 0 H LYS A 28 -3.285 7.442 -29.851 1.00 40.12 H new ATOM 0 HA LYS A 28 -1.427 5.262 -30.558 1.00 51.30 H new ATOM 0 HB2 LYS A 28 -1.191 8.090 -29.623 1.00 54.43 H new ATOM 0 HB3 LYS A 28 -0.010 6.964 -28.983 1.00 54.43 H new ATOM 0 HG2 LYS A 28 1.070 6.748 -30.974 1.00 33.13 H new ATOM 0 HG3 LYS A 28 -0.414 6.746 -31.905 1.00 33.13 H new ATOM 0 HD2 LYS A 28 0.164 9.346 -30.619 1.00 24.11 H new ATOM 0 HD3 LYS A 28 1.396 8.843 -31.759 1.00 24.11 H new ATOM 0 HE2 LYS A 28 -0.368 8.481 -33.491 1.00 25.31 H new ATOM 0 HE3 LYS A 28 -1.588 9.010 -32.350 1.00 25.31 H new ATOM 0 HZ1 LYS A 28 -0.929 10.799 -33.820 1.00 0.12 H new ATOM 0 HZ2 LYS A 28 -0.492 11.172 -32.222 1.00 0.12 H new ATOM 0 HZ3 LYS A 28 0.690 10.659 -33.328 1.00 0.12 H new ATOM 418 N LYS A 29 -0.778 4.730 -28.034 1.00 75.51 N ATOM 419 CA LYS A 29 -0.755 4.073 -26.733 1.00 0.02 C ATOM 420 C LYS A 29 0.006 4.914 -25.712 1.00 71.23 C ATOM 421 O LYS A 29 0.819 5.763 -26.077 1.00 41.50 O ATOM 422 CB LYS A 29 -0.113 2.688 -26.849 1.00 32.32 C ATOM 423 CG LYS A 29 1.377 2.731 -27.137 1.00 53.11 C ATOM 424 CD LYS A 29 1.888 1.388 -27.633 1.00 24.31 C ATOM 425 CE LYS A 29 3.377 1.226 -27.368 1.00 13.33 C ATOM 426 NZ LYS A 29 4.197 1.667 -28.531 1.00 20.11 N ATOM 0 H LYS A 29 0.088 4.643 -28.566 1.00 75.51 H new ATOM 0 HA LYS A 29 -1.784 3.962 -26.392 1.00 0.02 H new ATOM 0 HB2 LYS A 29 -0.280 2.141 -25.921 1.00 32.32 H new ATOM 0 HB3 LYS A 29 -0.612 2.131 -27.642 1.00 32.32 H new ATOM 0 HG2 LYS A 29 1.582 3.498 -27.884 1.00 53.11 H new ATOM 0 HG3 LYS A 29 1.915 3.015 -26.233 1.00 53.11 H new ATOM 0 HD2 LYS A 29 1.340 0.585 -27.141 1.00 24.31 H new ATOM 0 HD3 LYS A 29 1.695 1.296 -28.702 1.00 24.31 H new ATOM 0 HE2 LYS A 29 3.655 1.805 -26.487 1.00 13.33 H new ATOM 0 HE3 LYS A 29 3.595 0.182 -27.145 1.00 13.33 H new ATOM 0 HZ1 LYS A 29 5.206 1.541 -28.312 1.00 20.11 H new ATOM 0 HZ2 LYS A 29 3.950 1.098 -29.366 1.00 20.11 H new ATOM 0 HZ3 LYS A 29 4.008 2.670 -28.728 1.00 20.11 H new ATOM 440 N PHE A 30 -0.262 4.670 -24.434 1.00 71.44 N ATOM 441 CA PHE A 30 0.398 5.404 -23.361 1.00 4.32 C ATOM 442 C PHE A 30 1.873 5.022 -23.268 1.00 22.44 C ATOM 443 O PHE A 30 2.296 3.999 -23.803 1.00 34.22 O ATOM 444 CB PHE A 30 -0.296 5.133 -22.026 1.00 30.45 C ATOM 445 CG PHE A 30 -1.604 5.855 -21.872 1.00 42.20 C ATOM 446 CD1 PHE A 30 -2.804 5.165 -21.933 1.00 41.44 C ATOM 447 CD2 PHE A 30 -1.633 7.226 -21.666 1.00 24.52 C ATOM 448 CE1 PHE A 30 -4.008 5.827 -21.793 1.00 11.14 C ATOM 449 CE2 PHE A 30 -2.835 7.892 -21.523 1.00 54.31 C ATOM 450 CZ PHE A 30 -4.024 7.193 -21.588 1.00 22.54 C ATOM 0 H PHE A 30 -0.932 3.970 -24.116 1.00 71.44 H new ATOM 0 HA PHE A 30 0.330 6.468 -23.588 1.00 4.32 H new ATOM 0 HB2 PHE A 30 -0.468 4.061 -21.926 1.00 30.45 H new ATOM 0 HB3 PHE A 30 0.369 5.426 -21.214 1.00 30.45 H new ATOM 0 HD1 PHE A 30 -2.798 4.097 -22.092 1.00 41.44 H new ATOM 0 HD2 PHE A 30 -0.707 7.779 -21.617 1.00 24.52 H new ATOM 0 HE1 PHE A 30 -4.936 5.277 -21.844 1.00 11.14 H new ATOM 0 HE2 PHE A 30 -2.845 8.960 -21.360 1.00 54.31 H new ATOM 0 HZ PHE A 30 -4.964 7.713 -21.479 1.00 22.54 H new ATOM 460 N GLY A 31 2.652 5.854 -22.582 1.00 34.01 N ATOM 461 CA GLY A 31 4.070 5.587 -22.431 1.00 55.20 C ATOM 462 C GLY A 31 4.579 5.928 -21.045 1.00 42.21 C ATOM 463 O GLY A 31 3.796 6.230 -20.146 1.00 31.34 O ATOM 0 H GLY A 31 2.326 6.708 -22.129 1.00 34.01 H new ATOM 0 HA2 GLY A 31 4.262 4.534 -22.637 1.00 55.20 H new ATOM 0 HA3 GLY A 31 4.626 6.163 -23.171 1.00 55.20 H new ATOM 467 N GLU A 32 5.896 5.877 -20.871 1.00 2.44 N ATOM 468 CA GLU A 32 6.508 6.181 -19.582 1.00 40.41 C ATOM 469 C GLU A 32 6.382 7.666 -19.256 1.00 12.40 C ATOM 470 O GLU A 32 5.764 8.045 -18.262 1.00 32.10 O ATOM 471 CB GLU A 32 7.982 5.772 -19.583 1.00 50.04 C ATOM 472 CG GLU A 32 8.205 4.301 -19.895 1.00 45.31 C ATOM 473 CD GLU A 32 9.676 3.938 -19.970 1.00 31.12 C ATOM 474 OE1 GLU A 32 10.093 3.004 -19.252 1.00 74.13 O ATOM 475 OE2 GLU A 32 10.409 4.587 -20.745 1.00 64.44 O ATOM 0 H GLU A 32 6.559 5.628 -21.605 1.00 2.44 H new ATOM 0 HA GLU A 32 5.981 5.612 -18.816 1.00 40.41 H new ATOM 0 HB2 GLU A 32 8.517 6.376 -20.316 1.00 50.04 H new ATOM 0 HB3 GLU A 32 8.414 5.998 -18.608 1.00 50.04 H new ATOM 0 HG2 GLU A 32 7.723 3.694 -19.129 1.00 45.31 H new ATOM 0 HG3 GLU A 32 7.725 4.058 -20.843 1.00 45.31 H new ATOM 482 N GLY A 33 6.973 8.505 -20.102 1.00 73.33 N ATOM 483 CA GLY A 33 6.916 9.939 -19.888 1.00 51.10 C ATOM 484 C GLY A 33 5.499 10.476 -19.928 1.00 22.53 C ATOM 485 O GLY A 33 5.167 11.422 -19.216 1.00 73.31 O ATOM 0 H GLY A 33 7.491 8.216 -20.932 1.00 73.33 H new ATOM 0 HA2 GLY A 33 7.364 10.177 -18.923 1.00 51.10 H new ATOM 0 HA3 GLY A 33 7.513 10.441 -20.650 1.00 51.10 H new ATOM 489 N ASN A 34 4.662 9.870 -20.765 1.00 4.21 N ATOM 490 CA ASN A 34 3.273 10.294 -20.897 1.00 3.01 C ATOM 491 C ASN A 34 2.525 10.127 -19.578 1.00 63.51 C ATOM 492 O ASN A 34 1.954 11.080 -19.050 1.00 1.54 O ATOM 493 CB ASN A 34 2.575 9.492 -21.997 1.00 43.22 C ATOM 494 CG ASN A 34 2.165 10.358 -23.172 1.00 52.42 C ATOM 495 OD1 ASN A 34 2.558 10.105 -24.311 1.00 34.12 O ATOM 496 ND2 ASN A 34 1.373 11.388 -22.900 1.00 34.22 N ATOM 0 H ASN A 34 4.922 9.084 -21.361 1.00 4.21 H new ATOM 0 HA ASN A 34 3.266 11.350 -21.167 1.00 3.01 H new ATOM 0 HB2 ASN A 34 3.241 8.703 -22.346 1.00 43.22 H new ATOM 0 HB3 ASN A 34 1.692 9.004 -21.583 1.00 43.22 H new ATOM 0 HD21 ASN A 34 1.066 12.007 -23.650 1.00 34.22 H new ATOM 0 HD22 ASN A 34 1.071 11.560 -21.941 1.00 34.22 H new ATOM 503 N PHE A 35 2.534 8.906 -19.050 1.00 13.54 N ATOM 504 CA PHE A 35 1.857 8.613 -17.792 1.00 60.54 C ATOM 505 C PHE A 35 2.460 9.422 -16.648 1.00 31.30 C ATOM 506 O PHE A 35 1.774 9.756 -15.681 1.00 15.10 O ATOM 507 CB PHE A 35 1.946 7.118 -17.479 1.00 25.35 C ATOM 508 CG PHE A 35 1.553 6.777 -16.069 1.00 4.33 C ATOM 509 CD1 PHE A 35 0.218 6.678 -15.712 1.00 61.31 C ATOM 510 CD2 PHE A 35 2.520 6.558 -15.100 1.00 35.53 C ATOM 511 CE1 PHE A 35 -0.147 6.365 -14.417 1.00 64.53 C ATOM 512 CE2 PHE A 35 2.160 6.243 -13.803 1.00 70.02 C ATOM 513 CZ PHE A 35 0.826 6.148 -13.461 1.00 22.03 C ATOM 0 H PHE A 35 3.002 8.105 -19.474 1.00 13.54 H new ATOM 0 HA PHE A 35 0.809 8.894 -17.897 1.00 60.54 H new ATOM 0 HB2 PHE A 35 1.304 6.571 -18.169 1.00 25.35 H new ATOM 0 HB3 PHE A 35 2.966 6.778 -17.656 1.00 25.35 H new ATOM 0 HD1 PHE A 35 -0.547 6.848 -16.455 1.00 61.31 H new ATOM 0 HD2 PHE A 35 3.565 6.634 -15.361 1.00 35.53 H new ATOM 0 HE1 PHE A 35 -1.191 6.290 -14.152 1.00 64.53 H new ATOM 0 HE2 PHE A 35 2.922 6.071 -13.057 1.00 70.02 H new ATOM 0 HZ PHE A 35 0.544 5.904 -12.447 1.00 22.03 H new ATOM 523 N ARG A 36 3.747 9.731 -16.764 1.00 12.22 N ATOM 524 CA ARG A 36 4.443 10.500 -15.739 1.00 70.20 C ATOM 525 C ARG A 36 3.821 11.883 -15.579 1.00 14.40 C ATOM 526 O ARG A 36 3.508 12.310 -14.468 1.00 25.25 O ATOM 527 CB ARG A 36 5.926 10.633 -16.091 1.00 21.41 C ATOM 528 CG ARG A 36 6.851 9.943 -15.102 1.00 52.13 C ATOM 529 CD ARG A 36 8.309 10.087 -15.510 1.00 54.04 C ATOM 530 NE ARG A 36 9.209 9.419 -14.573 1.00 32.14 N ATOM 531 CZ ARG A 36 9.337 8.100 -14.492 1.00 25.01 C ATOM 532 NH1 ARG A 36 8.630 7.310 -15.287 1.00 11.30 N ATOM 533 NH2 ARG A 36 10.177 7.566 -13.612 1.00 54.41 N ATOM 0 H ARG A 36 4.329 9.461 -17.557 1.00 12.22 H new ATOM 0 HA ARG A 36 4.347 9.967 -14.793 1.00 70.20 H new ATOM 0 HB2 ARG A 36 6.094 10.216 -17.084 1.00 21.41 H new ATOM 0 HB3 ARG A 36 6.185 11.690 -16.141 1.00 21.41 H new ATOM 0 HG2 ARG A 36 6.706 10.368 -14.109 1.00 52.13 H new ATOM 0 HG3 ARG A 36 6.593 8.886 -15.037 1.00 52.13 H new ATOM 0 HD2 ARG A 36 8.449 9.670 -16.507 1.00 54.04 H new ATOM 0 HD3 ARG A 36 8.566 11.145 -15.568 1.00 54.04 H new ATOM 0 HE ARG A 36 9.769 9.997 -13.947 1.00 32.14 H new ATOM 0 HH11 ARG A 36 7.984 7.715 -15.965 1.00 11.30 H new ATOM 0 HH12 ARG A 36 8.732 6.297 -15.221 1.00 11.30 H new ATOM 0 HH21 ARG A 36 10.724 8.169 -12.998 1.00 54.41 H new ATOM 0 HH22 ARG A 36 10.275 6.553 -13.550 1.00 54.41 H new ATOM 547 N TRP A 37 3.645 12.579 -16.696 1.00 33.30 N ATOM 548 CA TRP A 37 3.060 13.916 -16.680 1.00 23.12 C ATOM 549 C TRP A 37 1.600 13.866 -16.240 1.00 44.35 C ATOM 550 O TRP A 37 1.115 14.775 -15.567 1.00 20.50 O ATOM 551 CB TRP A 37 3.166 14.558 -18.064 1.00 72.13 C ATOM 552 CG TRP A 37 2.303 15.772 -18.223 1.00 13.43 C ATOM 553 CD1 TRP A 37 2.690 17.075 -18.095 1.00 12.43 C ATOM 554 CD2 TRP A 37 0.906 15.796 -18.537 1.00 74.04 C ATOM 555 NE1 TRP A 37 1.618 17.908 -18.311 1.00 33.21 N ATOM 556 CE2 TRP A 37 0.512 17.147 -18.585 1.00 52.02 C ATOM 557 CE3 TRP A 37 -0.050 14.807 -18.785 1.00 50.42 C ATOM 558 CZ2 TRP A 37 -0.796 17.532 -18.869 1.00 52.14 C ATOM 559 CZ3 TRP A 37 -1.347 15.190 -19.067 1.00 12.03 C ATOM 560 CH2 TRP A 37 -1.711 16.542 -19.108 1.00 3.22 C ATOM 0 H TRP A 37 3.899 12.241 -17.624 1.00 33.30 H new ATOM 0 HA TRP A 37 3.616 14.520 -15.963 1.00 23.12 H new ATOM 0 HB2 TRP A 37 4.204 14.832 -18.251 1.00 72.13 H new ATOM 0 HB3 TRP A 37 2.889 13.823 -18.820 1.00 72.13 H new ATOM 0 HD1 TRP A 37 3.691 17.403 -17.859 1.00 12.43 H new ATOM 0 HE1 TRP A 37 1.642 18.927 -18.273 1.00 33.21 H new ATOM 0 HE3 TRP A 37 0.221 13.762 -18.757 1.00 50.42 H new ATOM 0 HZ2 TRP A 37 -1.078 18.574 -18.900 1.00 52.14 H new ATOM 0 HZ3 TRP A 37 -2.094 14.434 -19.259 1.00 12.03 H new ATOM 0 HH2 TRP A 37 -2.733 16.809 -19.332 1.00 3.22 H new ATOM 571 N ALA A 38 0.907 12.800 -16.624 1.00 20.43 N ATOM 572 CA ALA A 38 -0.496 12.632 -16.266 1.00 62.44 C ATOM 573 C ALA A 38 -0.650 12.315 -14.781 1.00 73.35 C ATOM 574 O ALA A 38 -1.222 13.101 -14.026 1.00 62.15 O ATOM 575 CB ALA A 38 -1.128 11.534 -17.109 1.00 52.24 C ATOM 0 H ALA A 38 1.294 12.040 -17.183 1.00 20.43 H new ATOM 0 HA ALA A 38 -1.011 13.572 -16.466 1.00 62.44 H new ATOM 0 HB1 ALA A 38 -2.176 11.419 -16.831 1.00 52.24 H new ATOM 0 HB2 ALA A 38 -1.059 11.800 -18.164 1.00 52.24 H new ATOM 0 HB3 ALA A 38 -0.602 10.595 -16.937 1.00 52.24 H new ATOM 581 N ILE A 39 -0.137 11.159 -14.372 1.00 22.05 N ATOM 582 CA ILE A 39 -0.218 10.741 -12.979 1.00 24.44 C ATOM 583 C ILE A 39 0.279 11.837 -12.044 1.00 52.52 C ATOM 584 O ILE A 39 -0.190 11.965 -10.913 1.00 14.02 O ATOM 585 CB ILE A 39 0.598 9.459 -12.727 1.00 44.33 C ATOM 586 CG1 ILE A 39 0.253 8.866 -11.359 1.00 52.51 C ATOM 587 CG2 ILE A 39 2.089 9.753 -12.822 1.00 12.35 C ATOM 588 CD1 ILE A 39 -0.908 7.897 -11.396 1.00 41.04 C ATOM 0 H ILE A 39 0.338 10.497 -14.985 1.00 22.05 H new ATOM 0 HA ILE A 39 -1.269 10.540 -12.772 1.00 24.44 H new ATOM 0 HB ILE A 39 0.341 8.727 -13.493 1.00 44.33 H new ATOM 0 HG12 ILE A 39 1.130 8.355 -10.962 1.00 52.51 H new ATOM 0 HG13 ILE A 39 0.017 9.677 -10.670 1.00 52.51 H new ATOM 0 HG21 ILE A 39 2.653 8.838 -12.642 1.00 12.35 H new ATOM 0 HG22 ILE A 39 2.322 10.133 -13.817 1.00 12.35 H new ATOM 0 HG23 ILE A 39 2.361 10.499 -12.076 1.00 12.35 H new ATOM 0 HD11 ILE A 39 -1.096 7.516 -10.392 1.00 41.04 H new ATOM 0 HD12 ILE A 39 -1.798 8.409 -11.763 1.00 41.04 H new ATOM 0 HD13 ILE A 39 -0.668 7.066 -12.060 1.00 41.04 H new ATOM 600 N ARG A 40 1.232 12.630 -12.526 1.00 25.35 N ATOM 601 CA ARG A 40 1.793 13.718 -11.734 1.00 70.13 C ATOM 602 C ARG A 40 0.766 14.826 -11.527 1.00 12.54 C ATOM 603 O ARG A 40 0.388 15.133 -10.397 1.00 73.42 O ATOM 604 CB ARG A 40 3.040 14.284 -12.417 1.00 75.10 C ATOM 605 CG ARG A 40 3.612 15.509 -11.723 1.00 2.04 C ATOM 606 CD ARG A 40 3.490 16.750 -12.592 1.00 32.25 C ATOM 607 NE ARG A 40 3.865 17.963 -11.871 1.00 0.33 N ATOM 608 CZ ARG A 40 5.123 18.319 -11.636 1.00 62.02 C ATOM 609 NH1 ARG A 40 6.122 17.559 -12.065 1.00 33.41 N ATOM 610 NH2 ARG A 40 5.386 19.438 -10.972 1.00 11.13 N ATOM 0 H ARG A 40 1.631 12.539 -13.460 1.00 25.35 H new ATOM 0 HA ARG A 40 2.071 13.318 -10.759 1.00 70.13 H new ATOM 0 HB2 ARG A 40 3.805 13.509 -12.457 1.00 75.10 H new ATOM 0 HB3 ARG A 40 2.794 14.542 -13.447 1.00 75.10 H new ATOM 0 HG2 ARG A 40 3.090 15.671 -10.780 1.00 2.04 H new ATOM 0 HG3 ARG A 40 4.660 15.335 -11.481 1.00 2.04 H new ATOM 0 HD2 ARG A 40 4.125 16.640 -13.471 1.00 32.25 H new ATOM 0 HD3 ARG A 40 2.464 16.843 -12.949 1.00 32.25 H new ATOM 0 HE ARG A 40 3.120 18.570 -11.529 1.00 0.33 H new ATOM 0 HH11 ARG A 40 5.925 16.699 -12.577 1.00 33.41 H new ATOM 0 HH12 ARG A 40 7.087 17.835 -11.883 1.00 33.41 H new ATOM 0 HH21 ARG A 40 4.621 20.026 -10.641 1.00 11.13 H new ATOM 0 HH22 ARG A 40 6.353 19.709 -10.793 1.00 11.13 H new ATOM 624 N MET A 41 0.317 15.424 -12.627 1.00 25.12 N ATOM 625 CA MET A 41 -0.667 16.497 -12.566 1.00 13.10 C ATOM 626 C MET A 41 -1.877 16.078 -11.738 1.00 14.05 C ATOM 627 O MET A 41 -2.452 16.886 -11.008 1.00 75.14 O ATOM 628 CB MET A 41 -1.111 16.891 -13.976 1.00 42.51 C ATOM 629 CG MET A 41 -0.897 18.363 -14.291 1.00 10.33 C ATOM 630 SD MET A 41 -2.329 19.377 -13.875 1.00 10.31 S ATOM 631 CE MET A 41 -1.543 20.952 -13.537 1.00 61.34 C ATOM 0 H MET A 41 0.620 15.183 -13.571 1.00 25.12 H new ATOM 0 HA MET A 41 -0.201 17.357 -12.086 1.00 13.10 H new ATOM 0 HB2 MET A 41 -0.564 16.289 -14.702 1.00 42.51 H new ATOM 0 HB3 MET A 41 -2.168 16.652 -14.095 1.00 42.51 H new ATOM 0 HG2 MET A 41 -0.028 18.726 -13.742 1.00 10.33 H new ATOM 0 HG3 MET A 41 -0.673 18.475 -15.352 1.00 10.33 H new ATOM 0 HE1 MET A 41 -2.301 21.686 -13.264 1.00 61.34 H new ATOM 0 HE2 MET A 41 -0.837 20.837 -12.715 1.00 61.34 H new ATOM 0 HE3 MET A 41 -1.012 21.292 -14.426 1.00 61.34 H new ATOM 641 N ALA A 42 -2.261 14.812 -11.856 1.00 61.35 N ATOM 642 CA ALA A 42 -3.402 14.286 -11.118 1.00 21.11 C ATOM 643 C ALA A 42 -3.140 14.306 -9.615 1.00 70.22 C ATOM 644 O ALA A 42 -4.005 14.690 -8.830 1.00 10.02 O ATOM 645 CB ALA A 42 -3.724 12.872 -11.580 1.00 54.43 C ATOM 0 H ALA A 42 -1.798 14.130 -12.457 1.00 61.35 H new ATOM 0 HA ALA A 42 -4.260 14.927 -11.320 1.00 21.11 H new ATOM 0 HB1 ALA A 42 -4.578 12.492 -11.020 1.00 54.43 H new ATOM 0 HB2 ALA A 42 -3.963 12.882 -12.644 1.00 54.43 H new ATOM 0 HB3 ALA A 42 -2.862 12.228 -11.408 1.00 54.43 H new ATOM 651 N ASN A 43 -1.940 13.889 -9.223 1.00 62.33 N ATOM 652 CA ASN A 43 -1.564 13.858 -7.814 1.00 74.41 C ATOM 653 C ASN A 43 -1.580 15.262 -7.216 1.00 72.51 C ATOM 654 O ASN A 43 -2.243 15.512 -6.210 1.00 10.12 O ATOM 655 CB ASN A 43 -0.176 13.235 -7.648 1.00 33.33 C ATOM 656 CG ASN A 43 -0.127 11.799 -8.131 1.00 65.23 C ATOM 657 OD1 ASN A 43 -1.138 11.097 -8.135 1.00 4.05 O ATOM 658 ND2 ASN A 43 1.056 11.353 -8.541 1.00 51.42 N ATOM 0 H ASN A 43 -1.212 13.568 -9.861 1.00 62.33 H new ATOM 0 HA ASN A 43 -2.294 13.248 -7.282 1.00 74.41 H new ATOM 0 HB2 ASN A 43 0.554 13.827 -8.201 1.00 33.33 H new ATOM 0 HB3 ASN A 43 0.113 13.273 -6.598 1.00 33.33 H new ATOM 0 HD21 ASN A 43 1.151 10.394 -8.876 1.00 51.42 H new ATOM 0 HD22 ASN A 43 1.868 11.969 -8.521 1.00 51.42 H new ATOM 665 N VAL A 44 -0.844 16.174 -7.844 1.00 21.14 N ATOM 666 CA VAL A 44 -0.773 17.552 -7.375 1.00 12.41 C ATOM 667 C VAL A 44 -2.146 18.216 -7.414 1.00 42.31 C ATOM 668 O VAL A 44 -2.495 18.994 -6.525 1.00 74.02 O ATOM 669 CB VAL A 44 0.211 18.383 -8.221 1.00 22.53 C ATOM 670 CG1 VAL A 44 -0.175 18.333 -9.691 1.00 54.21 C ATOM 671 CG2 VAL A 44 0.260 19.819 -7.722 1.00 31.21 C ATOM 0 H VAL A 44 -0.289 15.983 -8.678 1.00 21.14 H new ATOM 0 HA VAL A 44 -0.417 17.519 -6.345 1.00 12.41 H new ATOM 0 HB VAL A 44 1.207 17.952 -8.117 1.00 22.53 H new ATOM 0 HG11 VAL A 44 0.531 18.925 -10.273 1.00 54.21 H new ATOM 0 HG12 VAL A 44 -0.154 17.300 -10.038 1.00 54.21 H new ATOM 0 HG13 VAL A 44 -1.179 18.738 -9.817 1.00 54.21 H new ATOM 0 HG21 VAL A 44 0.960 20.392 -8.330 1.00 31.21 H new ATOM 0 HG22 VAL A 44 -0.733 20.264 -7.795 1.00 31.21 H new ATOM 0 HG23 VAL A 44 0.588 19.832 -6.683 1.00 31.21 H new ATOM 681 N SER A 45 -2.919 17.904 -8.448 1.00 1.13 N ATOM 682 CA SER A 45 -4.253 18.473 -8.604 1.00 55.35 C ATOM 683 C SER A 45 -5.132 18.136 -7.404 1.00 41.35 C ATOM 684 O SER A 45 -6.082 18.853 -7.094 1.00 13.44 O ATOM 685 CB SER A 45 -4.903 17.956 -9.890 1.00 2.35 C ATOM 686 OG SER A 45 -6.296 18.218 -9.896 1.00 74.11 O ATOM 0 H SER A 45 -2.645 17.261 -9.191 1.00 1.13 H new ATOM 0 HA SER A 45 -4.154 19.557 -8.665 1.00 55.35 H new ATOM 0 HB2 SER A 45 -4.436 18.430 -10.754 1.00 2.35 H new ATOM 0 HB3 SER A 45 -4.731 16.884 -9.983 1.00 2.35 H new ATOM 0 HG SER A 45 -6.519 18.786 -10.663 1.00 74.11 H new ATOM 692 N THR A 46 -4.806 17.036 -6.731 1.00 12.34 N ATOM 693 CA THR A 46 -5.565 16.601 -5.566 1.00 22.04 C ATOM 694 C THR A 46 -4.897 17.055 -4.273 1.00 62.30 C ATOM 695 O THR A 46 -5.529 17.100 -3.219 1.00 0.41 O ATOM 696 CB THR A 46 -5.723 15.069 -5.538 1.00 74.20 C ATOM 697 OG1 THR A 46 -4.614 14.450 -6.199 1.00 1.54 O ATOM 698 CG2 THR A 46 -7.021 14.647 -6.211 1.00 21.20 C ATOM 0 H THR A 46 -4.021 16.431 -6.973 1.00 12.34 H new ATOM 0 HA THR A 46 -6.551 17.059 -5.643 1.00 22.04 H new ATOM 0 HB THR A 46 -5.750 14.747 -4.497 1.00 74.20 H new ATOM 0 HG1 THR A 46 -3.776 14.797 -5.827 1.00 1.54 H new ATOM 0 HG21 THR A 46 -7.111 13.561 -6.179 1.00 21.20 H new ATOM 0 HG22 THR A 46 -7.865 15.097 -5.688 1.00 21.20 H new ATOM 0 HG23 THR A 46 -7.018 14.981 -7.249 1.00 21.20 H new ATOM 706 N GLY A 47 -3.613 17.391 -4.362 1.00 72.00 N ATOM 707 CA GLY A 47 -2.881 17.838 -3.192 1.00 53.32 C ATOM 708 C GLY A 47 -2.292 16.687 -2.402 1.00 61.32 C ATOM 709 O GLY A 47 -2.197 16.750 -1.176 1.00 63.40 O ATOM 0 H GLY A 47 -3.068 17.361 -5.223 1.00 72.00 H new ATOM 0 HA2 GLY A 47 -2.080 18.509 -3.503 1.00 53.32 H new ATOM 0 HA3 GLY A 47 -3.547 18.413 -2.549 1.00 53.32 H new ATOM 713 N ARG A 48 -1.896 15.629 -3.105 1.00 33.15 N ATOM 714 CA ARG A 48 -1.318 14.457 -2.460 1.00 44.24 C ATOM 715 C ARG A 48 0.143 14.280 -2.865 1.00 53.33 C ATOM 716 O ARG A 48 0.570 13.180 -3.216 1.00 50.51 O ATOM 717 CB ARG A 48 -2.114 13.203 -2.824 1.00 21.13 C ATOM 718 CG ARG A 48 -3.611 13.346 -2.601 1.00 70.21 C ATOM 719 CD ARG A 48 -4.242 12.024 -2.194 1.00 33.43 C ATOM 720 NE ARG A 48 -5.587 12.204 -1.652 1.00 64.52 N ATOM 721 CZ ARG A 48 -6.364 11.198 -1.267 1.00 75.31 C ATOM 722 NH1 ARG A 48 -5.933 9.948 -1.365 1.00 2.01 N ATOM 723 NH2 ARG A 48 -7.576 11.441 -0.784 1.00 74.02 N ATOM 0 H ARG A 48 -1.965 15.561 -4.120 1.00 33.15 H new ATOM 0 HA ARG A 48 -1.364 14.607 -1.381 1.00 44.24 H new ATOM 0 HB2 ARG A 48 -1.933 12.959 -3.871 1.00 21.13 H new ATOM 0 HB3 ARG A 48 -1.746 12.365 -2.233 1.00 21.13 H new ATOM 0 HG2 ARG A 48 -3.795 14.092 -1.828 1.00 70.21 H new ATOM 0 HG3 ARG A 48 -4.083 13.710 -3.514 1.00 70.21 H new ATOM 0 HD2 ARG A 48 -4.285 11.361 -3.058 1.00 33.43 H new ATOM 0 HD3 ARG A 48 -3.613 11.536 -1.449 1.00 33.43 H new ATOM 0 HE ARG A 48 -5.949 13.154 -1.565 1.00 64.52 H new ATOM 0 HH11 ARG A 48 -5.003 9.757 -1.737 1.00 2.01 H new ATOM 0 HH12 ARG A 48 -6.532 9.177 -1.069 1.00 2.01 H new ATOM 0 HH21 ARG A 48 -7.912 12.401 -0.708 1.00 74.02 H new ATOM 0 HH22 ARG A 48 -8.172 10.668 -0.489 1.00 74.02 H new ATOM 737 N GLU A 49 0.902 15.370 -2.815 1.00 55.23 N ATOM 738 CA GLU A 49 2.313 15.335 -3.179 1.00 44.53 C ATOM 739 C GLU A 49 2.489 14.954 -4.646 1.00 13.13 C ATOM 740 O GLU A 49 1.598 14.382 -5.275 1.00 70.21 O ATOM 741 CB GLU A 49 3.067 14.344 -2.290 1.00 73.34 C ATOM 742 CG GLU A 49 3.874 15.007 -1.186 1.00 74.14 C ATOM 743 CD GLU A 49 3.827 14.234 0.117 1.00 15.12 C ATOM 744 OE1 GLU A 49 2.712 13.876 0.553 1.00 13.42 O ATOM 745 OE2 GLU A 49 4.902 13.986 0.700 1.00 13.11 O ATOM 0 H GLU A 49 0.563 16.288 -2.526 1.00 55.23 H new ATOM 0 HA GLU A 49 2.724 16.333 -3.030 1.00 44.53 H new ATOM 0 HB2 GLU A 49 2.352 13.655 -1.841 1.00 73.34 H new ATOM 0 HB3 GLU A 49 3.737 13.749 -2.911 1.00 73.34 H new ATOM 0 HG2 GLU A 49 4.911 15.105 -1.508 1.00 74.14 H new ATOM 0 HG3 GLU A 49 3.495 16.015 -1.020 1.00 74.14 H new ATOM 752 N PRO A 50 3.663 15.279 -5.205 1.00 74.34 N ATOM 753 CA PRO A 50 3.983 14.981 -6.605 1.00 22.22 C ATOM 754 C PRO A 50 4.167 13.487 -6.852 1.00 1.32 C ATOM 755 O PRO A 50 3.600 12.928 -7.790 1.00 10.52 O ATOM 756 CB PRO A 50 5.301 15.727 -6.834 1.00 34.44 C ATOM 757 CG PRO A 50 5.915 15.835 -5.482 1.00 2.12 C ATOM 758 CD PRO A 50 4.771 15.962 -4.515 1.00 14.23 C ATOM 0 HA PRO A 50 3.183 15.284 -7.280 1.00 22.22 H new ATOM 0 HB2 PRO A 50 5.949 15.183 -7.521 1.00 34.44 H new ATOM 0 HB3 PRO A 50 5.128 16.711 -7.270 1.00 34.44 H new ATOM 0 HG2 PRO A 50 6.520 14.957 -5.257 1.00 2.12 H new ATOM 0 HG3 PRO A 50 6.575 16.700 -5.421 1.00 2.12 H new ATOM 0 HD2 PRO A 50 4.999 15.492 -3.559 1.00 14.23 H new ATOM 0 HD3 PRO A 50 4.533 17.006 -4.309 1.00 14.23 H new ATOM 766 N GLY A 51 4.965 12.845 -6.004 1.00 2.21 N ATOM 767 CA GLY A 51 5.208 11.422 -6.147 1.00 44.33 C ATOM 768 C GLY A 51 4.130 10.580 -5.496 1.00 32.21 C ATOM 769 O GLY A 51 4.346 9.990 -4.438 1.00 71.05 O ATOM 0 H GLY A 51 5.447 13.285 -5.221 1.00 2.21 H new ATOM 0 HA2 GLY A 51 5.269 11.172 -7.206 1.00 44.33 H new ATOM 0 HA3 GLY A 51 6.173 11.175 -5.705 1.00 44.33 H new ATOM 773 N ASP A 52 2.963 10.526 -6.129 1.00 12.03 N ATOM 774 CA ASP A 52 1.844 9.750 -5.605 1.00 4.34 C ATOM 775 C ASP A 52 1.466 8.626 -6.564 1.00 1.15 C ATOM 776 O ASP A 52 0.701 8.833 -7.507 1.00 50.53 O ATOM 777 CB ASP A 52 0.637 10.658 -5.360 1.00 40.23 C ATOM 778 CG ASP A 52 0.088 10.524 -3.954 1.00 11.21 C ATOM 779 OD1 ASP A 52 0.896 10.476 -3.003 1.00 22.41 O ATOM 780 OD2 ASP A 52 -1.151 10.469 -3.804 1.00 23.04 O ATOM 0 H ASP A 52 2.767 11.010 -7.005 1.00 12.03 H new ATOM 0 HA ASP A 52 2.152 9.306 -4.658 1.00 4.34 H new ATOM 0 HB2 ASP A 52 0.924 11.694 -5.538 1.00 40.23 H new ATOM 0 HB3 ASP A 52 -0.147 10.417 -6.078 1.00 40.23 H new ATOM 785 N ILE A 53 2.005 7.438 -6.316 1.00 62.13 N ATOM 786 CA ILE A 53 1.724 6.281 -7.157 1.00 21.11 C ATOM 787 C ILE A 53 0.904 5.240 -6.404 1.00 64.34 C ATOM 788 O ILE A 53 1.426 4.234 -5.920 1.00 34.32 O ATOM 789 CB ILE A 53 3.021 5.627 -7.667 1.00 43.44 C ATOM 790 CG1 ILE A 53 3.832 6.628 -8.493 1.00 61.24 C ATOM 791 CG2 ILE A 53 2.702 4.388 -8.490 1.00 63.11 C ATOM 792 CD1 ILE A 53 3.181 6.992 -9.810 1.00 25.22 C ATOM 0 H ILE A 53 2.639 7.251 -5.539 1.00 62.13 H new ATOM 0 HA ILE A 53 1.150 6.643 -8.010 1.00 21.11 H new ATOM 0 HB ILE A 53 3.620 5.324 -6.808 1.00 43.44 H new ATOM 0 HG12 ILE A 53 3.980 7.535 -7.907 1.00 61.24 H new ATOM 0 HG13 ILE A 53 4.820 6.210 -8.688 1.00 61.24 H new ATOM 0 HG21 ILE A 53 3.629 3.937 -8.843 1.00 63.11 H new ATOM 0 HG22 ILE A 53 2.162 3.670 -7.873 1.00 63.11 H new ATOM 0 HG23 ILE A 53 2.086 4.668 -9.345 1.00 63.11 H new ATOM 0 HD11 ILE A 53 3.811 7.705 -10.342 1.00 25.22 H new ATOM 0 HD12 ILE A 53 3.058 6.094 -10.415 1.00 25.22 H new ATOM 0 HD13 ILE A 53 2.205 7.440 -9.622 1.00 25.22 H new ATOM 804 N PRO A 54 -0.411 5.482 -6.301 1.00 61.30 N ATOM 805 CA PRO A 54 -1.331 4.575 -5.609 1.00 72.04 C ATOM 806 C PRO A 54 -1.532 3.266 -6.366 1.00 5.01 C ATOM 807 O PRO A 54 -1.727 3.264 -7.580 1.00 10.13 O ATOM 808 CB PRO A 54 -2.639 5.368 -5.558 1.00 24.04 C ATOM 809 CG PRO A 54 -2.556 6.312 -6.708 1.00 71.31 C ATOM 810 CD PRO A 54 -1.100 6.660 -6.853 1.00 53.42 C ATOM 0 HA PRO A 54 -0.955 4.283 -4.629 1.00 72.04 H new ATOM 0 HB2 PRO A 54 -3.504 4.711 -5.647 1.00 24.04 H new ATOM 0 HB3 PRO A 54 -2.741 5.903 -4.614 1.00 24.04 H new ATOM 0 HG2 PRO A 54 -2.940 5.852 -7.619 1.00 71.31 H new ATOM 0 HG3 PRO A 54 -3.154 7.204 -6.524 1.00 71.31 H new ATOM 0 HD2 PRO A 54 -0.830 6.832 -7.895 1.00 53.42 H new ATOM 0 HD3 PRO A 54 -0.847 7.567 -6.304 1.00 53.42 H new ATOM 818 N GLU A 55 -1.484 2.154 -5.638 1.00 1.22 N ATOM 819 CA GLU A 55 -1.660 0.839 -6.241 1.00 21.11 C ATOM 820 C GLU A 55 -2.788 0.072 -5.556 1.00 2.33 C ATOM 821 O GLU A 55 -2.681 -1.132 -5.316 1.00 43.53 O ATOM 822 CB GLU A 55 -0.359 0.036 -6.159 1.00 32.04 C ATOM 823 CG GLU A 55 0.044 -0.324 -4.740 1.00 61.41 C ATOM 824 CD GLU A 55 1.548 -0.369 -4.555 1.00 44.52 C ATOM 825 OE1 GLU A 55 2.267 -0.487 -5.569 1.00 25.14 O ATOM 826 OE2 GLU A 55 2.007 -0.284 -3.396 1.00 40.25 O ATOM 0 H GLU A 55 -1.325 2.138 -4.631 1.00 1.22 H new ATOM 0 HA GLU A 55 -1.925 0.982 -7.289 1.00 21.11 H new ATOM 0 HB2 GLU A 55 -0.470 -0.880 -6.740 1.00 32.04 H new ATOM 0 HB3 GLU A 55 0.443 0.611 -6.621 1.00 32.04 H new ATOM 0 HG2 GLU A 55 -0.382 0.404 -4.050 1.00 61.41 H new ATOM 0 HG3 GLU A 55 -0.379 -1.294 -4.481 1.00 61.41 H new ATOM 833 N THR A 56 -3.869 0.778 -5.240 1.00 2.30 N ATOM 834 CA THR A 56 -5.016 0.166 -4.579 1.00 43.42 C ATOM 835 C THR A 56 -6.322 0.790 -5.057 1.00 2.34 C ATOM 836 O THR A 56 -6.429 2.011 -5.182 1.00 60.13 O ATOM 837 CB THR A 56 -4.922 0.304 -3.048 1.00 14.42 C ATOM 838 OG1 THR A 56 -5.217 1.651 -2.659 1.00 11.11 O ATOM 839 CG2 THR A 56 -3.535 -0.079 -2.554 1.00 30.15 C ATOM 0 H THR A 56 -3.975 1.774 -5.431 1.00 2.30 H new ATOM 0 HA THR A 56 -5.005 -0.892 -4.841 1.00 43.42 H new ATOM 0 HB THR A 56 -5.650 -0.372 -2.599 1.00 14.42 H new ATOM 0 HG1 THR A 56 -5.721 1.646 -1.818 1.00 11.11 H new ATOM 0 HG21 THR A 56 -3.493 0.026 -1.470 1.00 30.15 H new ATOM 0 HG22 THR A 56 -3.324 -1.113 -2.826 1.00 30.15 H new ATOM 0 HG23 THR A 56 -2.792 0.575 -3.011 1.00 30.15 H new ATOM 847 N LEU A 57 -7.313 -0.053 -5.319 1.00 73.43 N ATOM 848 CA LEU A 57 -8.615 0.416 -5.782 1.00 61.41 C ATOM 849 C LEU A 57 -9.163 1.500 -4.859 1.00 24.22 C ATOM 850 O LEU A 57 -9.899 2.385 -5.293 1.00 43.22 O ATOM 851 CB LEU A 57 -9.601 -0.750 -5.860 1.00 71.21 C ATOM 852 CG LEU A 57 -10.730 -0.608 -6.883 1.00 43.34 C ATOM 853 CD1 LEU A 57 -10.200 -0.818 -8.293 1.00 10.20 C ATOM 854 CD2 LEU A 57 -11.851 -1.591 -6.580 1.00 42.22 C ATOM 0 H LEU A 57 -7.241 -1.066 -5.219 1.00 73.43 H new ATOM 0 HA LEU A 57 -8.487 0.842 -6.777 1.00 61.41 H new ATOM 0 HB2 LEU A 57 -9.042 -1.657 -6.089 1.00 71.21 H new ATOM 0 HB3 LEU A 57 -10.046 -0.890 -4.875 1.00 71.21 H new ATOM 0 HG LEU A 57 -11.133 0.403 -6.815 1.00 43.34 H new ATOM 0 HD11 LEU A 57 -11.016 -0.713 -9.008 1.00 10.20 H new ATOM 0 HD12 LEU A 57 -9.432 -0.075 -8.508 1.00 10.20 H new ATOM 0 HD13 LEU A 57 -9.771 -1.817 -8.376 1.00 10.20 H new ATOM 0 HD21 LEU A 57 -12.645 -1.476 -7.318 1.00 42.22 H new ATOM 0 HD22 LEU A 57 -11.463 -2.609 -6.620 1.00 42.22 H new ATOM 0 HD23 LEU A 57 -12.249 -1.394 -5.585 1.00 42.22 H new ATOM 866 N ASP A 58 -8.797 1.424 -3.583 1.00 73.45 N ATOM 867 CA ASP A 58 -9.249 2.399 -2.599 1.00 21.14 C ATOM 868 C ASP A 58 -8.568 3.747 -2.817 1.00 52.50 C ATOM 869 O ASP A 58 -9.230 4.781 -2.894 1.00 40.23 O ATOM 870 CB ASP A 58 -8.966 1.895 -1.183 1.00 14.14 C ATOM 871 CG ASP A 58 -10.021 2.342 -0.189 1.00 61.22 C ATOM 872 OD1 ASP A 58 -10.961 1.562 0.070 1.00 5.32 O ATOM 873 OD2 ASP A 58 -9.904 3.472 0.331 1.00 24.54 O ATOM 0 H ASP A 58 -8.188 0.697 -3.207 1.00 73.45 H new ATOM 0 HA ASP A 58 -10.324 2.531 -2.722 1.00 21.14 H new ATOM 0 HB2 ASP A 58 -8.916 0.806 -1.191 1.00 14.14 H new ATOM 0 HB3 ASP A 58 -7.990 2.256 -0.860 1.00 14.14 H new ATOM 878 N GLN A 59 -7.243 3.725 -2.915 1.00 13.42 N ATOM 879 CA GLN A 59 -6.473 4.946 -3.123 1.00 54.35 C ATOM 880 C GLN A 59 -6.888 5.638 -4.417 1.00 71.21 C ATOM 881 O GLN A 59 -7.181 6.835 -4.428 1.00 63.43 O ATOM 882 CB GLN A 59 -4.977 4.631 -3.156 1.00 74.04 C ATOM 883 CG GLN A 59 -4.341 4.547 -1.778 1.00 10.15 C ATOM 884 CD GLN A 59 -3.309 3.442 -1.677 1.00 51.22 C ATOM 885 OE1 GLN A 59 -2.450 3.341 -2.684 1.00 11.31 O flip ATOM 886 NE2 GLN A 59 -3.284 2.686 -0.705 1.00 54.31 N flip ATOM 0 H GLN A 59 -6.681 2.876 -2.854 1.00 13.42 H new ATOM 0 HA GLN A 59 -6.677 5.620 -2.291 1.00 54.35 H new ATOM 0 HB2 GLN A 59 -4.825 3.685 -3.675 1.00 74.04 H new ATOM 0 HB3 GLN A 59 -4.466 5.399 -3.737 1.00 74.04 H new ATOM 0 HG2 GLN A 59 -3.870 5.501 -1.541 1.00 10.15 H new ATOM 0 HG3 GLN A 59 -5.119 4.381 -1.033 1.00 10.15 H new ATOM 0 HE21 GLN A 59 -3.964 2.800 0.047 1.00 54.31 H new ATOM 0 HE22 GLN A 59 -2.584 1.946 -0.652 1.00 54.31 H new ATOM 895 N LEU A 60 -6.911 4.879 -5.507 1.00 63.01 N ATOM 896 CA LEU A 60 -7.289 5.419 -6.808 1.00 35.11 C ATOM 897 C LEU A 60 -8.732 5.915 -6.793 1.00 72.13 C ATOM 898 O LEU A 60 -9.071 6.889 -7.465 1.00 52.02 O ATOM 899 CB LEU A 60 -7.116 4.355 -7.894 1.00 44.14 C ATOM 900 CG LEU A 60 -5.776 3.618 -7.904 1.00 5.34 C ATOM 901 CD1 LEU A 60 -5.992 2.120 -8.050 1.00 40.22 C ATOM 902 CD2 LEU A 60 -4.886 4.143 -9.021 1.00 21.44 C ATOM 0 H LEU A 60 -6.672 3.887 -5.516 1.00 63.01 H new ATOM 0 HA LEU A 60 -6.635 6.263 -7.027 1.00 35.11 H new ATOM 0 HB2 LEU A 60 -7.912 3.619 -7.783 1.00 44.14 H new ATOM 0 HB3 LEU A 60 -7.254 4.830 -8.865 1.00 44.14 H new ATOM 0 HG LEU A 60 -5.276 3.801 -6.953 1.00 5.34 H new ATOM 0 HD11 LEU A 60 -5.028 1.612 -8.055 1.00 40.22 H new ATOM 0 HD12 LEU A 60 -6.590 1.755 -7.215 1.00 40.22 H new ATOM 0 HD13 LEU A 60 -6.514 1.917 -8.985 1.00 40.22 H new ATOM 0 HD21 LEU A 60 -3.937 3.607 -9.013 1.00 21.44 H new ATOM 0 HD22 LEU A 60 -5.380 3.992 -9.981 1.00 21.44 H new ATOM 0 HD23 LEU A 60 -4.703 5.207 -8.871 1.00 21.44 H new ATOM 914 N ARG A 61 -9.576 5.239 -6.020 1.00 33.21 N ATOM 915 CA ARG A 61 -10.982 5.612 -5.916 1.00 2.40 C ATOM 916 C ARG A 61 -11.130 7.028 -5.367 1.00 23.55 C ATOM 917 O ARG A 61 -11.798 7.872 -5.967 1.00 61.03 O ATOM 918 CB ARG A 61 -11.728 4.624 -5.018 1.00 71.11 C ATOM 919 CG ARG A 61 -13.139 5.067 -4.667 1.00 33.33 C ATOM 920 CD ARG A 61 -13.840 4.046 -3.783 1.00 2.21 C ATOM 921 NE ARG A 61 -13.967 4.512 -2.405 1.00 11.43 N ATOM 922 CZ ARG A 61 -14.409 3.752 -1.409 1.00 74.32 C ATOM 923 NH1 ARG A 61 -14.765 2.495 -1.639 1.00 0.23 N ATOM 924 NH2 ARG A 61 -14.497 4.247 -0.182 1.00 3.54 N ATOM 0 H ARG A 61 -9.311 4.431 -5.457 1.00 33.21 H new ATOM 0 HA ARG A 61 -11.415 5.582 -6.916 1.00 2.40 H new ATOM 0 HB2 ARG A 61 -11.774 3.656 -5.516 1.00 71.11 H new ATOM 0 HB3 ARG A 61 -11.161 4.483 -4.098 1.00 71.11 H new ATOM 0 HG2 ARG A 61 -13.103 6.029 -4.156 1.00 33.33 H new ATOM 0 HG3 ARG A 61 -13.714 5.214 -5.582 1.00 33.33 H new ATOM 0 HD2 ARG A 61 -14.830 3.835 -4.187 1.00 2.21 H new ATOM 0 HD3 ARG A 61 -13.283 3.109 -3.799 1.00 2.21 H new ATOM 0 HE ARG A 61 -13.702 5.474 -2.196 1.00 11.43 H new ATOM 0 HH11 ARG A 61 -14.700 2.111 -2.582 1.00 0.23 H new ATOM 0 HH12 ARG A 61 -15.104 1.913 -0.873 1.00 0.23 H new ATOM 0 HH21 ARG A 61 -14.225 5.213 -0.001 1.00 3.54 H new ATOM 0 HH22 ARG A 61 -14.837 3.661 0.581 1.00 3.54 H new ATOM 938 N LEU A 62 -10.503 7.282 -4.223 1.00 33.53 N ATOM 939 CA LEU A 62 -10.565 8.595 -3.591 1.00 73.45 C ATOM 940 C LEU A 62 -9.954 9.662 -4.495 1.00 2.04 C ATOM 941 O LEU A 62 -10.419 10.803 -4.528 1.00 64.51 O ATOM 942 CB LEU A 62 -9.837 8.571 -2.247 1.00 25.31 C ATOM 943 CG LEU A 62 -10.633 9.076 -1.043 1.00 35.04 C ATOM 944 CD1 LEU A 62 -11.088 10.511 -1.268 1.00 24.21 C ATOM 945 CD2 LEU A 62 -11.829 8.172 -0.777 1.00 41.22 C ATOM 0 H LEU A 62 -9.946 6.595 -3.714 1.00 33.53 H new ATOM 0 HA LEU A 62 -11.613 8.842 -3.424 1.00 73.45 H new ATOM 0 HB2 LEU A 62 -9.522 7.547 -2.045 1.00 25.31 H new ATOM 0 HB3 LEU A 62 -8.932 9.171 -2.336 1.00 25.31 H new ATOM 0 HG LEU A 62 -9.984 9.054 -0.168 1.00 35.04 H new ATOM 0 HD11 LEU A 62 -11.653 10.854 -0.401 1.00 24.21 H new ATOM 0 HD12 LEU A 62 -10.217 11.151 -1.410 1.00 24.21 H new ATOM 0 HD13 LEU A 62 -11.720 10.557 -2.155 1.00 24.21 H new ATOM 0 HD21 LEU A 62 -12.384 8.546 0.083 1.00 41.22 H new ATOM 0 HD22 LEU A 62 -12.479 8.162 -1.652 1.00 41.22 H new ATOM 0 HD23 LEU A 62 -11.481 7.160 -0.572 1.00 41.22 H new ATOM 957 N VAL A 63 -8.911 9.284 -5.227 1.00 14.32 N ATOM 958 CA VAL A 63 -8.239 10.208 -6.133 1.00 41.01 C ATOM 959 C VAL A 63 -9.140 10.583 -7.304 1.00 4.11 C ATOM 960 O VAL A 63 -9.458 11.756 -7.504 1.00 75.34 O ATOM 961 CB VAL A 63 -6.930 9.605 -6.680 1.00 24.24 C ATOM 962 CG1 VAL A 63 -6.257 10.574 -7.639 1.00 64.52 C ATOM 963 CG2 VAL A 63 -5.996 9.237 -5.536 1.00 34.12 C ATOM 0 H VAL A 63 -8.513 8.345 -5.210 1.00 14.32 H new ATOM 0 HA VAL A 63 -8.006 11.103 -5.556 1.00 41.01 H new ATOM 0 HB VAL A 63 -7.170 8.695 -7.230 1.00 24.24 H new ATOM 0 HG11 VAL A 63 -5.335 10.132 -8.015 1.00 64.52 H new ATOM 0 HG12 VAL A 63 -6.926 10.783 -8.474 1.00 64.52 H new ATOM 0 HG13 VAL A 63 -6.027 11.503 -7.116 1.00 64.52 H new ATOM 0 HG21 VAL A 63 -5.077 8.813 -5.939 1.00 34.12 H new ATOM 0 HG22 VAL A 63 -5.760 10.130 -4.957 1.00 34.12 H new ATOM 0 HG23 VAL A 63 -6.481 8.504 -4.891 1.00 34.12 H new ATOM 973 N ILE A 64 -9.548 9.580 -8.075 1.00 4.33 N ATOM 974 CA ILE A 64 -10.415 9.805 -9.224 1.00 51.44 C ATOM 975 C ILE A 64 -11.642 10.624 -8.837 1.00 44.41 C ATOM 976 O ILE A 64 -12.159 11.403 -9.639 1.00 10.42 O ATOM 977 CB ILE A 64 -10.875 8.476 -9.851 1.00 74.23 C ATOM 978 CG1 ILE A 64 -9.669 7.675 -10.346 1.00 41.11 C ATOM 979 CG2 ILE A 64 -11.848 8.737 -10.991 1.00 23.10 C ATOM 980 CD1 ILE A 64 -9.980 6.219 -10.616 1.00 51.33 C ATOM 0 H ILE A 64 -9.292 8.604 -7.924 1.00 4.33 H new ATOM 0 HA ILE A 64 -9.829 10.359 -9.957 1.00 51.44 H new ATOM 0 HB ILE A 64 -11.388 7.890 -9.088 1.00 74.23 H new ATOM 0 HG12 ILE A 64 -9.289 8.133 -11.260 1.00 41.11 H new ATOM 0 HG13 ILE A 64 -8.873 7.737 -9.604 1.00 41.11 H new ATOM 0 HG21 ILE A 64 -12.164 7.788 -11.424 1.00 23.10 H new ATOM 0 HG22 ILE A 64 -12.719 9.270 -10.611 1.00 23.10 H new ATOM 0 HG23 ILE A 64 -11.359 9.340 -11.756 1.00 23.10 H new ATOM 0 HD11 ILE A 64 -9.079 5.713 -10.964 1.00 51.33 H new ATOM 0 HD12 ILE A 64 -10.331 5.746 -9.699 1.00 51.33 H new ATOM 0 HD13 ILE A 64 -10.754 6.148 -11.380 1.00 51.33 H new ATOM 992 N CYS A 65 -12.102 10.443 -7.604 1.00 64.25 N ATOM 993 CA CYS A 65 -13.267 11.165 -7.109 1.00 13.23 C ATOM 994 C CYS A 65 -12.979 12.660 -7.010 1.00 34.33 C ATOM 995 O CYS A 65 -13.656 13.476 -7.636 1.00 64.42 O ATOM 996 CB CYS A 65 -13.687 10.622 -5.742 1.00 54.11 C ATOM 997 SG CYS A 65 -14.914 9.296 -5.821 1.00 5.22 S ATOM 0 H CYS A 65 -11.685 9.802 -6.929 1.00 64.25 H new ATOM 0 HA CYS A 65 -14.083 11.017 -7.816 1.00 13.23 H new ATOM 0 HB2 CYS A 65 -12.803 10.254 -5.222 1.00 54.11 H new ATOM 0 HB3 CYS A 65 -14.090 11.441 -5.146 1.00 54.11 H new ATOM 0 HG CYS A 65 -15.204 8.901 -4.617 1.00 5.22 H new ATOM 1003 N ASP A 66 -11.972 13.011 -6.217 1.00 11.40 N ATOM 1004 CA ASP A 66 -11.595 14.408 -6.035 1.00 4.34 C ATOM 1005 C ASP A 66 -11.163 15.032 -7.358 1.00 33.24 C ATOM 1006 O ASP A 66 -11.423 16.208 -7.616 1.00 42.34 O ATOM 1007 CB ASP A 66 -10.464 14.522 -5.011 1.00 14.42 C ATOM 1008 CG ASP A 66 -10.959 14.390 -3.584 1.00 74.43 C ATOM 1009 OD1 ASP A 66 -12.122 14.766 -3.321 1.00 43.34 O ATOM 1010 OD2 ASP A 66 -10.186 13.908 -2.730 1.00 41.33 O ATOM 0 H ASP A 66 -11.403 12.348 -5.691 1.00 11.40 H new ATOM 0 HA ASP A 66 -12.467 14.949 -5.667 1.00 4.34 H new ATOM 0 HB2 ASP A 66 -9.721 13.749 -5.208 1.00 14.42 H new ATOM 0 HB3 ASP A 66 -9.964 15.483 -5.132 1.00 14.42 H new ATOM 1015 N LEU A 67 -10.505 14.237 -8.194 1.00 51.03 N ATOM 1016 CA LEU A 67 -10.037 14.711 -9.492 1.00 13.32 C ATOM 1017 C LEU A 67 -11.212 15.031 -10.411 1.00 12.33 C ATOM 1018 O LEU A 67 -11.230 16.070 -11.070 1.00 12.14 O ATOM 1019 CB LEU A 67 -9.135 13.663 -10.146 1.00 21.21 C ATOM 1020 CG LEU A 67 -7.663 14.046 -10.298 1.00 45.24 C ATOM 1021 CD1 LEU A 67 -6.819 13.354 -9.238 1.00 52.20 C ATOM 1022 CD2 LEU A 67 -7.162 13.696 -11.692 1.00 22.00 C ATOM 0 H LEU A 67 -10.283 13.261 -7.997 1.00 51.03 H new ATOM 0 HA LEU A 67 -9.465 15.625 -9.332 1.00 13.32 H new ATOM 0 HB2 LEU A 67 -9.193 12.746 -9.559 1.00 21.21 H new ATOM 0 HB3 LEU A 67 -9.534 13.435 -11.134 1.00 21.21 H new ATOM 0 HG LEU A 67 -7.572 15.123 -10.160 1.00 45.24 H new ATOM 0 HD11 LEU A 67 -5.774 13.639 -9.362 1.00 52.20 H new ATOM 0 HD12 LEU A 67 -7.162 13.653 -8.248 1.00 52.20 H new ATOM 0 HD13 LEU A 67 -6.916 12.274 -9.344 1.00 52.20 H new ATOM 0 HD21 LEU A 67 -6.112 13.976 -11.782 1.00 22.00 H new ATOM 0 HD22 LEU A 67 -7.267 12.624 -11.858 1.00 22.00 H new ATOM 0 HD23 LEU A 67 -7.747 14.238 -12.435 1.00 22.00 H new ATOM 1034 N GLN A 68 -12.190 14.133 -10.447 1.00 31.24 N ATOM 1035 CA GLN A 68 -13.370 14.320 -11.284 1.00 41.44 C ATOM 1036 C GLN A 68 -14.077 15.627 -10.941 1.00 30.33 C ATOM 1037 O GLN A 68 -14.446 16.395 -11.829 1.00 52.54 O ATOM 1038 CB GLN A 68 -14.333 13.145 -11.116 1.00 51.31 C ATOM 1039 CG GLN A 68 -15.417 13.089 -12.181 1.00 42.15 C ATOM 1040 CD GLN A 68 -16.523 14.097 -11.942 1.00 43.34 C ATOM 1041 OE1 GLN A 68 -16.827 14.443 -10.799 1.00 74.53 O ATOM 1042 NE2 GLN A 68 -17.132 14.575 -13.021 1.00 2.14 N ATOM 0 H GLN A 68 -12.189 13.268 -9.906 1.00 31.24 H new ATOM 0 HA GLN A 68 -13.044 14.366 -12.323 1.00 41.44 H new ATOM 0 HB2 GLN A 68 -13.765 12.215 -11.138 1.00 51.31 H new ATOM 0 HB3 GLN A 68 -14.803 13.209 -10.134 1.00 51.31 H new ATOM 0 HG2 GLN A 68 -14.970 13.271 -13.158 1.00 42.15 H new ATOM 0 HG3 GLN A 68 -15.844 12.086 -12.207 1.00 42.15 H new ATOM 0 HE21 GLN A 68 -16.848 14.260 -13.949 1.00 2.14 H new ATOM 0 HE22 GLN A 68 -17.884 15.257 -12.922 1.00 2.14 H new ATOM 1051 N GLU A 69 -14.264 15.872 -9.648 1.00 13.12 N ATOM 1052 CA GLU A 69 -14.929 17.085 -9.189 1.00 51.21 C ATOM 1053 C GLU A 69 -14.187 18.328 -9.672 1.00 30.24 C ATOM 1054 O GLU A 69 -14.785 19.236 -10.249 1.00 24.10 O ATOM 1055 CB GLU A 69 -15.024 17.095 -7.662 1.00 31.01 C ATOM 1056 CG GLU A 69 -16.407 16.752 -7.136 1.00 14.01 C ATOM 1057 CD GLU A 69 -16.593 17.141 -5.682 1.00 42.25 C ATOM 1058 OE1 GLU A 69 -17.751 17.161 -5.216 1.00 35.21 O ATOM 1059 OE2 GLU A 69 -15.579 17.426 -5.010 1.00 75.10 O ATOM 0 H GLU A 69 -13.964 15.246 -8.900 1.00 13.12 H new ATOM 0 HA GLU A 69 -15.935 17.098 -9.608 1.00 51.21 H new ATOM 0 HB2 GLU A 69 -14.304 16.384 -7.257 1.00 31.01 H new ATOM 0 HB3 GLU A 69 -14.739 18.081 -7.295 1.00 31.01 H new ATOM 0 HG2 GLU A 69 -17.158 17.259 -7.742 1.00 14.01 H new ATOM 0 HG3 GLU A 69 -16.578 15.681 -7.246 1.00 14.01 H new ATOM 1066 N ARG A 70 -12.881 18.361 -9.429 1.00 11.30 N ATOM 1067 CA ARG A 70 -12.057 19.492 -9.836 1.00 53.51 C ATOM 1068 C ARG A 70 -12.028 19.625 -11.357 1.00 44.23 C ATOM 1069 O ARG A 70 -11.970 20.732 -11.892 1.00 32.30 O ATOM 1070 CB ARG A 70 -10.633 19.333 -9.301 1.00 12.42 C ATOM 1071 CG ARG A 70 -10.566 19.162 -7.791 1.00 74.13 C ATOM 1072 CD ARG A 70 -9.251 18.531 -7.361 1.00 44.14 C ATOM 1073 NE ARG A 70 -8.742 19.118 -6.124 1.00 72.11 N ATOM 1074 CZ ARG A 70 -9.297 18.917 -4.934 1.00 13.44 C ATOM 1075 NH1 ARG A 70 -10.372 18.150 -4.820 1.00 1.10 N ATOM 1076 NH2 ARG A 70 -8.776 19.486 -3.853 1.00 32.22 N ATOM 0 H ARG A 70 -12.371 17.617 -8.952 1.00 11.30 H new ATOM 0 HA ARG A 70 -12.496 20.397 -9.417 1.00 53.51 H new ATOM 0 HB2 ARG A 70 -10.169 18.469 -9.777 1.00 12.42 H new ATOM 0 HB3 ARG A 70 -10.047 20.207 -9.586 1.00 12.42 H new ATOM 0 HG2 ARG A 70 -10.680 20.132 -7.308 1.00 74.13 H new ATOM 0 HG3 ARG A 70 -11.396 18.540 -7.457 1.00 74.13 H new ATOM 0 HD2 ARG A 70 -9.391 17.459 -7.223 1.00 44.14 H new ATOM 0 HD3 ARG A 70 -8.512 18.656 -8.153 1.00 44.14 H new ATOM 0 HE ARG A 70 -7.916 19.714 -6.177 1.00 72.11 H new ATOM 0 HH11 ARG A 70 -10.776 17.712 -5.648 1.00 1.10 H new ATOM 0 HH12 ARG A 70 -10.795 17.998 -3.905 1.00 1.10 H new ATOM 0 HH21 ARG A 70 -7.949 20.078 -3.936 1.00 32.22 H new ATOM 0 HH22 ARG A 70 -9.203 19.331 -2.939 1.00 32.22 H new ATOM 1090 N ARG A 71 -12.067 18.488 -12.045 1.00 1.53 N ATOM 1091 CA ARG A 71 -12.043 18.477 -13.503 1.00 4.21 C ATOM 1092 C ARG A 71 -13.201 19.292 -14.072 1.00 32.54 C ATOM 1093 O ARG A 71 -13.007 20.139 -14.941 1.00 11.21 O ATOM 1094 CB ARG A 71 -12.111 17.040 -14.023 1.00 54.32 C ATOM 1095 CG ARG A 71 -10.795 16.536 -14.593 1.00 33.31 C ATOM 1096 CD ARG A 71 -9.725 16.434 -13.517 1.00 43.21 C ATOM 1097 NE ARG A 71 -8.388 16.299 -14.087 1.00 62.03 N ATOM 1098 CZ ARG A 71 -7.271 16.461 -13.386 1.00 44.42 C ATOM 1099 NH1 ARG A 71 -7.331 16.763 -12.096 1.00 50.24 N ATOM 1100 NH2 ARG A 71 -6.090 16.321 -13.976 1.00 60.53 N ATOM 0 H ARG A 71 -12.115 17.564 -11.617 1.00 1.53 H new ATOM 0 HA ARG A 71 -11.108 18.931 -13.831 1.00 4.21 H new ATOM 0 HB2 ARG A 71 -12.421 16.383 -13.210 1.00 54.32 H new ATOM 0 HB3 ARG A 71 -12.879 16.977 -14.794 1.00 54.32 H new ATOM 0 HG2 ARG A 71 -10.946 15.559 -15.051 1.00 33.31 H new ATOM 0 HG3 ARG A 71 -10.457 17.209 -15.381 1.00 33.31 H new ATOM 0 HD2 ARG A 71 -9.762 17.321 -12.884 1.00 43.21 H new ATOM 0 HD3 ARG A 71 -9.935 15.577 -12.877 1.00 43.21 H new ATOM 0 HE ARG A 71 -8.307 16.068 -15.077 1.00 62.03 H new ATOM 0 HH11 ARG A 71 -8.237 16.872 -11.639 1.00 50.24 H new ATOM 0 HH12 ARG A 71 -6.472 16.887 -11.561 1.00 50.24 H new ATOM 0 HH21 ARG A 71 -6.040 16.089 -14.968 1.00 60.53 H new ATOM 0 HH22 ARG A 71 -5.233 16.446 -13.437 1.00 60.53 H new ATOM 1114 N GLU A 72 -14.405 19.025 -13.574 1.00 51.30 N ATOM 1115 CA GLU A 72 -15.595 19.733 -14.035 1.00 63.23 C ATOM 1116 C GLU A 72 -15.507 21.219 -13.700 1.00 42.14 C ATOM 1117 O GLU A 72 -15.681 22.075 -14.568 1.00 52.13 O ATOM 1118 CB GLU A 72 -16.850 19.129 -13.403 1.00 54.40 C ATOM 1119 CG GLU A 72 -18.099 19.295 -14.254 1.00 24.13 C ATOM 1120 CD GLU A 72 -19.308 18.603 -13.654 1.00 72.04 C ATOM 1121 OE1 GLU A 72 -19.145 17.492 -13.108 1.00 72.43 O ATOM 1122 OE2 GLU A 72 -20.417 19.172 -13.733 1.00 71.12 O ATOM 0 H GLU A 72 -14.582 18.325 -12.853 1.00 51.30 H new ATOM 0 HA GLU A 72 -15.655 19.626 -15.118 1.00 63.23 H new ATOM 0 HB2 GLU A 72 -16.681 18.067 -13.223 1.00 54.40 H new ATOM 0 HB3 GLU A 72 -17.018 19.594 -12.432 1.00 54.40 H new ATOM 0 HG2 GLU A 72 -18.315 20.357 -14.374 1.00 24.13 H new ATOM 0 HG3 GLU A 72 -17.912 18.894 -15.250 1.00 24.13 H new ATOM 1129 N LYS A 73 -15.236 21.520 -12.434 1.00 13.14 N ATOM 1130 CA LYS A 73 -15.125 22.902 -11.982 1.00 71.23 C ATOM 1131 C LYS A 73 -14.026 23.636 -12.745 1.00 14.25 C ATOM 1132 O LYS A 73 -14.057 24.861 -12.870 1.00 54.04 O ATOM 1133 CB LYS A 73 -14.835 22.947 -10.480 1.00 33.22 C ATOM 1134 CG LYS A 73 -16.077 22.802 -9.617 1.00 52.13 C ATOM 1135 CD LYS A 73 -15.811 23.226 -8.183 1.00 4.23 C ATOM 1136 CE LYS A 73 -16.466 24.562 -7.866 1.00 22.13 C ATOM 1137 NZ LYS A 73 -16.812 24.681 -6.422 1.00 1.42 N ATOM 0 H LYS A 73 -15.089 20.825 -11.702 1.00 13.14 H new ATOM 0 HA LYS A 73 -16.075 23.400 -12.177 1.00 71.23 H new ATOM 0 HB2 LYS A 73 -14.134 22.151 -10.230 1.00 33.22 H new ATOM 0 HB3 LYS A 73 -14.345 23.891 -10.241 1.00 33.22 H new ATOM 0 HG2 LYS A 73 -16.883 23.407 -10.033 1.00 52.13 H new ATOM 0 HG3 LYS A 73 -16.415 21.766 -9.634 1.00 52.13 H new ATOM 0 HD2 LYS A 73 -16.188 22.464 -7.501 1.00 4.23 H new ATOM 0 HD3 LYS A 73 -14.736 23.298 -8.017 1.00 4.23 H new ATOM 0 HE2 LYS A 73 -15.793 25.372 -8.146 1.00 22.13 H new ATOM 0 HE3 LYS A 73 -17.369 24.676 -8.466 1.00 22.13 H new ATOM 0 HZ1 LYS A 73 -17.256 25.605 -6.246 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 -17.474 23.923 -6.160 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 -15.947 24.598 -5.850 1.00 1.42 H new ATOM 1151 N PHE A 74 -13.058 22.881 -13.253 1.00 60.51 N ATOM 1152 CA PHE A 74 -11.951 23.460 -14.004 1.00 2.34 C ATOM 1153 C PHE A 74 -12.360 23.745 -15.446 1.00 21.33 C ATOM 1154 O PHE A 74 -11.861 24.677 -16.073 1.00 5.01 O ATOM 1155 CB PHE A 74 -10.744 22.521 -13.980 1.00 62.41 C ATOM 1156 CG PHE A 74 -9.783 22.807 -12.862 1.00 5.55 C ATOM 1157 CD1 PHE A 74 -8.418 22.844 -13.095 1.00 0.50 C ATOM 1158 CD2 PHE A 74 -10.245 23.039 -11.576 1.00 40.23 C ATOM 1159 CE1 PHE A 74 -7.531 23.108 -12.069 1.00 5.10 C ATOM 1160 CE2 PHE A 74 -9.362 23.303 -10.545 1.00 73.02 C ATOM 1161 CZ PHE A 74 -8.004 23.337 -10.792 1.00 23.11 C ATOM 0 H PHE A 74 -13.018 21.866 -13.158 1.00 60.51 H new ATOM 0 HA PHE A 74 -11.678 24.403 -13.530 1.00 2.34 H new ATOM 0 HB2 PHE A 74 -11.095 21.493 -13.892 1.00 62.41 H new ATOM 0 HB3 PHE A 74 -10.216 22.597 -14.930 1.00 62.41 H new ATOM 0 HD1 PHE A 74 -8.042 22.664 -14.091 1.00 0.50 H new ATOM 0 HD2 PHE A 74 -11.306 23.013 -11.377 1.00 40.23 H new ATOM 0 HE1 PHE A 74 -6.469 23.135 -12.265 1.00 5.10 H new ATOM 0 HE2 PHE A 74 -9.734 23.482 -9.547 1.00 73.02 H new ATOM 0 HZ PHE A 74 -7.313 23.542 -9.988 1.00 23.11 H new ATOM 1171 N GLY A 75 -13.275 22.931 -15.966 1.00 65.21 N ATOM 1172 CA GLY A 75 -13.736 23.110 -17.330 1.00 25.42 C ATOM 1173 C GLY A 75 -13.204 22.044 -18.267 1.00 43.15 C ATOM 1174 O GLY A 75 -12.660 21.032 -17.822 1.00 52.21 O ATOM 0 H GLY A 75 -13.704 22.152 -15.467 1.00 65.21 H new ATOM 0 HA2 GLY A 75 -14.826 23.093 -17.347 1.00 25.42 H new ATOM 0 HA3 GLY A 75 -13.427 24.092 -17.689 1.00 25.42 H new ATOM 1178 N SER A 76 -13.360 22.269 -19.568 1.00 3.42 N ATOM 1179 CA SER A 76 -12.895 21.318 -20.570 1.00 25.22 C ATOM 1180 C SER A 76 -11.501 21.689 -21.068 1.00 13.24 C ATOM 1181 O SER A 76 -11.157 22.868 -21.158 1.00 34.44 O ATOM 1182 CB SER A 76 -13.872 21.264 -21.745 1.00 3.10 C ATOM 1183 OG SER A 76 -14.702 20.118 -21.667 1.00 60.10 O ATOM 0 H SER A 76 -13.805 23.102 -19.952 1.00 3.42 H new ATOM 0 HA SER A 76 -12.844 20.334 -20.104 1.00 25.22 H new ATOM 0 HB2 SER A 76 -14.488 22.163 -21.751 1.00 3.10 H new ATOM 0 HB3 SER A 76 -13.317 21.252 -22.683 1.00 3.10 H new ATOM 0 HG SER A 76 -15.318 20.108 -22.429 1.00 60.10 H new ATOM 1189 N SER A 77 -10.705 20.676 -21.390 1.00 13.51 N ATOM 1190 CA SER A 77 -9.347 20.895 -21.876 1.00 3.43 C ATOM 1191 C SER A 77 -8.660 19.569 -22.186 1.00 24.31 C ATOM 1192 O SER A 77 -8.592 18.678 -21.339 1.00 24.33 O ATOM 1193 CB SER A 77 -8.533 21.675 -20.841 1.00 63.15 C ATOM 1194 OG SER A 77 -7.209 21.178 -20.756 1.00 43.21 O ATOM 0 H SER A 77 -10.976 19.695 -21.323 1.00 13.51 H new ATOM 0 HA SER A 77 -9.406 21.477 -22.796 1.00 3.43 H new ATOM 0 HB2 SER A 77 -8.512 22.731 -21.110 1.00 63.15 H new ATOM 0 HB3 SER A 77 -9.015 21.604 -19.866 1.00 63.15 H new ATOM 0 HG SER A 77 -6.708 21.693 -20.089 1.00 43.21 H new ATOM 1200 N LYS A 78 -8.151 19.445 -23.406 1.00 74.30 N ATOM 1201 CA LYS A 78 -7.468 18.229 -23.831 1.00 61.12 C ATOM 1202 C LYS A 78 -6.383 17.838 -22.834 1.00 41.13 C ATOM 1203 O LYS A 78 -6.069 16.658 -22.674 1.00 13.44 O ATOM 1204 CB LYS A 78 -6.854 18.422 -25.219 1.00 50.22 C ATOM 1205 CG LYS A 78 -5.675 19.379 -25.235 1.00 60.11 C ATOM 1206 CD LYS A 78 -5.580 20.127 -26.554 1.00 31.34 C ATOM 1207 CE LYS A 78 -4.976 21.510 -26.368 1.00 54.31 C ATOM 1208 NZ LYS A 78 -4.559 22.112 -27.664 1.00 54.04 N ATOM 0 H LYS A 78 -8.198 20.173 -24.119 1.00 74.30 H new ATOM 0 HA LYS A 78 -8.204 17.426 -23.875 1.00 61.12 H new ATOM 0 HB2 LYS A 78 -6.531 17.454 -25.602 1.00 50.22 H new ATOM 0 HB3 LYS A 78 -7.622 18.793 -25.898 1.00 50.22 H new ATOM 0 HG2 LYS A 78 -5.774 20.093 -24.417 1.00 60.11 H new ATOM 0 HG3 LYS A 78 -4.753 18.824 -25.063 1.00 60.11 H new ATOM 0 HD2 LYS A 78 -4.972 19.555 -27.255 1.00 31.34 H new ATOM 0 HD3 LYS A 78 -6.573 20.219 -26.994 1.00 31.34 H new ATOM 0 HE2 LYS A 78 -5.703 22.161 -25.882 1.00 54.31 H new ATOM 0 HE3 LYS A 78 -4.114 21.443 -25.704 1.00 54.31 H new ATOM 0 HZ1 LYS A 78 -4.152 23.054 -27.494 1.00 54.04 H new ATOM 0 HZ2 LYS A 78 -3.847 21.504 -28.116 1.00 54.04 H new ATOM 0 HZ3 LYS A 78 -5.386 22.199 -28.288 1.00 54.04 H new ATOM 1222 N GLU A 79 -5.813 18.836 -22.164 1.00 74.21 N ATOM 1223 CA GLU A 79 -4.764 18.595 -21.182 1.00 61.14 C ATOM 1224 C GLU A 79 -5.330 17.924 -19.933 1.00 54.10 C ATOM 1225 O GLU A 79 -5.004 16.776 -19.632 1.00 11.14 O ATOM 1226 CB GLU A 79 -4.078 19.909 -20.802 1.00 11.31 C ATOM 1227 CG GLU A 79 -3.415 20.612 -21.975 1.00 32.50 C ATOM 1228 CD GLU A 79 -2.219 19.849 -22.511 1.00 50.21 C ATOM 1229 OE1 GLU A 79 -2.423 18.915 -23.314 1.00 51.22 O ATOM 1230 OE2 GLU A 79 -1.080 20.186 -22.127 1.00 51.23 O ATOM 0 H GLU A 79 -6.061 19.818 -22.284 1.00 74.21 H new ATOM 0 HA GLU A 79 -4.029 17.926 -21.631 1.00 61.14 H new ATOM 0 HB2 GLU A 79 -4.815 20.578 -20.358 1.00 11.31 H new ATOM 0 HB3 GLU A 79 -3.327 19.709 -20.038 1.00 11.31 H new ATOM 0 HG2 GLU A 79 -4.145 20.745 -22.774 1.00 32.50 H new ATOM 0 HG3 GLU A 79 -3.097 21.607 -21.665 1.00 32.50 H new ATOM 1237 N ILE A 80 -6.178 18.650 -19.213 1.00 3.12 N ATOM 1238 CA ILE A 80 -6.789 18.126 -17.998 1.00 14.53 C ATOM 1239 C ILE A 80 -7.579 16.853 -18.284 1.00 53.54 C ATOM 1240 O ILE A 80 -7.778 16.022 -17.400 1.00 62.53 O ATOM 1241 CB ILE A 80 -7.726 19.161 -17.347 1.00 14.42 C ATOM 1242 CG1 ILE A 80 -8.148 18.694 -15.952 1.00 13.40 C ATOM 1243 CG2 ILE A 80 -8.947 19.397 -18.225 1.00 64.12 C ATOM 1244 CD1 ILE A 80 -9.066 19.665 -15.243 1.00 31.10 C ATOM 0 H ILE A 80 -6.457 19.602 -19.450 1.00 3.12 H new ATOM 0 HA ILE A 80 -5.975 17.899 -17.309 1.00 14.53 H new ATOM 0 HB ILE A 80 -7.188 20.103 -17.246 1.00 14.42 H new ATOM 0 HG12 ILE A 80 -8.648 17.729 -16.036 1.00 13.40 H new ATOM 0 HG13 ILE A 80 -7.257 18.539 -15.344 1.00 13.40 H new ATOM 0 HG21 ILE A 80 -9.599 20.131 -17.751 1.00 64.12 H new ATOM 0 HG22 ILE A 80 -8.629 19.770 -19.199 1.00 64.12 H new ATOM 0 HG23 ILE A 80 -9.489 18.460 -18.355 1.00 64.12 H new ATOM 0 HD11 ILE A 80 -9.325 19.270 -14.261 1.00 31.10 H new ATOM 0 HD12 ILE A 80 -8.561 20.624 -15.127 1.00 31.10 H new ATOM 0 HD13 ILE A 80 -9.974 19.802 -15.830 1.00 31.10 H new ATOM 1256 N ASP A 81 -8.025 16.708 -19.528 1.00 1.03 N ATOM 1257 CA ASP A 81 -8.790 15.534 -19.933 1.00 12.40 C ATOM 1258 C ASP A 81 -7.876 14.329 -20.124 1.00 65.53 C ATOM 1259 O ASP A 81 -8.269 13.192 -19.864 1.00 51.52 O ATOM 1260 CB ASP A 81 -9.556 15.820 -21.226 1.00 65.14 C ATOM 1261 CG ASP A 81 -10.572 14.743 -21.547 1.00 61.32 C ATOM 1262 OD1 ASP A 81 -10.824 13.886 -20.674 1.00 73.22 O ATOM 1263 OD2 ASP A 81 -11.117 14.758 -22.671 1.00 64.42 O ATOM 0 H ASP A 81 -7.870 17.388 -20.272 1.00 1.03 H new ATOM 0 HA ASP A 81 -9.503 15.304 -19.141 1.00 12.40 H new ATOM 0 HB2 ASP A 81 -10.064 16.780 -21.139 1.00 65.14 H new ATOM 0 HB3 ASP A 81 -8.850 15.907 -22.052 1.00 65.14 H new ATOM 1268 N MET A 82 -6.654 14.586 -20.581 1.00 71.31 N ATOM 1269 CA MET A 82 -5.684 13.520 -20.807 1.00 40.54 C ATOM 1270 C MET A 82 -5.117 13.013 -19.485 1.00 43.42 C ATOM 1271 O MET A 82 -4.758 11.842 -19.362 1.00 24.11 O ATOM 1272 CB MET A 82 -4.549 14.017 -21.706 1.00 25.32 C ATOM 1273 CG MET A 82 -3.533 12.941 -22.051 1.00 52.55 C ATOM 1274 SD MET A 82 -3.207 12.837 -23.823 1.00 13.35 S ATOM 1275 CE MET A 82 -1.826 13.966 -23.980 1.00 4.22 C ATOM 0 H MET A 82 -6.313 15.521 -20.802 1.00 71.31 H new ATOM 0 HA MET A 82 -6.196 12.695 -21.303 1.00 40.54 H new ATOM 0 HB2 MET A 82 -4.974 14.413 -22.628 1.00 25.32 H new ATOM 0 HB3 MET A 82 -4.038 14.842 -21.210 1.00 25.32 H new ATOM 0 HG2 MET A 82 -2.600 13.145 -21.525 1.00 52.55 H new ATOM 0 HG3 MET A 82 -3.895 11.977 -21.695 1.00 52.55 H new ATOM 0 HE1 MET A 82 -1.509 14.010 -25.022 1.00 4.22 H new ATOM 0 HE2 MET A 82 -2.129 14.960 -23.650 1.00 4.22 H new ATOM 0 HE3 MET A 82 -0.998 13.616 -23.363 1.00 4.22 H new ATOM 1285 N ALA A 83 -5.037 13.901 -18.501 1.00 5.43 N ATOM 1286 CA ALA A 83 -4.514 13.542 -17.187 1.00 55.13 C ATOM 1287 C ALA A 83 -5.541 12.749 -16.386 1.00 70.24 C ATOM 1288 O ALA A 83 -5.203 11.761 -15.733 1.00 15.21 O ATOM 1289 CB ALA A 83 -4.098 14.791 -16.425 1.00 51.42 C ATOM 0 H ALA A 83 -5.327 14.875 -18.588 1.00 5.43 H new ATOM 0 HA ALA A 83 -3.638 12.910 -17.332 1.00 55.13 H new ATOM 0 HB1 ALA A 83 -3.710 14.508 -15.447 1.00 51.42 H new ATOM 0 HB2 ALA A 83 -3.324 15.317 -16.984 1.00 51.42 H new ATOM 0 HB3 ALA A 83 -4.961 15.444 -16.298 1.00 51.42 H new ATOM 1295 N ILE A 84 -6.794 13.188 -16.440 1.00 74.22 N ATOM 1296 CA ILE A 84 -7.869 12.517 -15.720 1.00 71.31 C ATOM 1297 C ILE A 84 -8.114 11.118 -16.275 1.00 65.02 C ATOM 1298 O ILE A 84 -8.314 10.166 -15.520 1.00 62.45 O ATOM 1299 CB ILE A 84 -9.181 13.321 -15.790 1.00 53.03 C ATOM 1300 CG1 ILE A 84 -10.297 12.584 -15.048 1.00 32.22 C ATOM 1301 CG2 ILE A 84 -9.574 13.568 -17.239 1.00 72.12 C ATOM 1302 CD1 ILE A 84 -10.017 12.389 -13.575 1.00 62.54 C ATOM 0 H ILE A 84 -7.090 14.005 -16.975 1.00 74.22 H new ATOM 0 HA ILE A 84 -7.552 12.442 -14.680 1.00 71.31 H new ATOM 0 HB ILE A 84 -9.025 14.285 -15.307 1.00 53.03 H new ATOM 0 HG12 ILE A 84 -11.227 13.141 -15.162 1.00 32.22 H new ATOM 0 HG13 ILE A 84 -10.449 11.610 -15.513 1.00 32.22 H new ATOM 0 HG21 ILE A 84 -10.503 14.137 -17.272 1.00 72.12 H new ATOM 0 HG22 ILE A 84 -8.786 14.131 -17.739 1.00 72.12 H new ATOM 0 HG23 ILE A 84 -9.715 12.613 -17.745 1.00 72.12 H new ATOM 0 HD11 ILE A 84 -10.850 11.860 -13.113 1.00 62.54 H new ATOM 0 HD12 ILE A 84 -9.104 11.806 -13.452 1.00 62.54 H new ATOM 0 HD13 ILE A 84 -9.894 13.361 -13.096 1.00 62.54 H new ATOM 1314 N VAL A 85 -8.095 11.000 -17.598 1.00 43.22 N ATOM 1315 CA VAL A 85 -8.312 9.717 -18.255 1.00 62.32 C ATOM 1316 C VAL A 85 -7.152 8.761 -17.992 1.00 12.54 C ATOM 1317 O VAL A 85 -7.350 7.560 -17.814 1.00 22.21 O ATOM 1318 CB VAL A 85 -8.487 9.886 -19.775 1.00 34.41 C ATOM 1319 CG1 VAL A 85 -9.733 10.703 -20.081 1.00 11.33 C ATOM 1320 CG2 VAL A 85 -7.253 10.532 -20.385 1.00 61.32 C ATOM 0 H VAL A 85 -7.931 11.778 -18.237 1.00 43.22 H new ATOM 0 HA VAL A 85 -9.227 9.299 -17.836 1.00 62.32 H new ATOM 0 HB VAL A 85 -8.610 8.899 -20.221 1.00 34.41 H new ATOM 0 HG11 VAL A 85 -9.841 10.812 -21.160 1.00 11.33 H new ATOM 0 HG12 VAL A 85 -10.609 10.195 -19.679 1.00 11.33 H new ATOM 0 HG13 VAL A 85 -9.643 11.688 -19.624 1.00 11.33 H new ATOM 0 HG21 VAL A 85 -7.394 10.644 -21.460 1.00 61.32 H new ATOM 0 HG22 VAL A 85 -7.096 11.513 -19.936 1.00 61.32 H new ATOM 0 HG23 VAL A 85 -6.383 9.903 -20.197 1.00 61.32 H new ATOM 1330 N THR A 86 -5.939 9.305 -17.969 1.00 1.45 N ATOM 1331 CA THR A 86 -4.747 8.503 -17.728 1.00 60.04 C ATOM 1332 C THR A 86 -4.784 7.864 -16.345 1.00 4.55 C ATOM 1333 O THR A 86 -4.461 6.686 -16.184 1.00 75.21 O ATOM 1334 CB THR A 86 -3.465 9.348 -17.857 1.00 30.14 C ATOM 1335 OG1 THR A 86 -3.269 9.737 -19.220 1.00 14.23 O ATOM 1336 CG2 THR A 86 -2.252 8.572 -17.366 1.00 32.33 C ATOM 0 H THR A 86 -5.757 10.298 -18.114 1.00 1.45 H new ATOM 0 HA THR A 86 -4.735 7.720 -18.486 1.00 60.04 H new ATOM 0 HB THR A 86 -3.581 10.238 -17.239 1.00 30.14 H new ATOM 0 HG1 THR A 86 -3.529 10.675 -19.333 1.00 14.23 H new ATOM 0 HG21 THR A 86 -1.360 9.190 -17.467 1.00 32.33 H new ATOM 0 HG22 THR A 86 -2.391 8.304 -16.319 1.00 32.33 H new ATOM 0 HG23 THR A 86 -2.135 7.666 -17.960 1.00 32.33 H new ATOM 1344 N LEU A 87 -5.178 8.647 -15.346 1.00 53.20 N ATOM 1345 CA LEU A 87 -5.258 8.157 -13.975 1.00 42.51 C ATOM 1346 C LEU A 87 -6.322 7.073 -13.846 1.00 22.25 C ATOM 1347 O LEU A 87 -6.126 6.074 -13.153 1.00 31.13 O ATOM 1348 CB LEU A 87 -5.569 9.310 -13.019 1.00 4.33 C ATOM 1349 CG LEU A 87 -4.985 9.190 -11.610 1.00 65.14 C ATOM 1350 CD1 LEU A 87 -5.472 10.331 -10.731 1.00 23.53 C ATOM 1351 CD2 LEU A 87 -5.348 7.846 -10.994 1.00 14.34 C ATOM 0 H LEU A 87 -5.447 9.624 -15.461 1.00 53.20 H new ATOM 0 HA LEU A 87 -4.292 7.725 -13.712 1.00 42.51 H new ATOM 0 HB2 LEU A 87 -5.202 10.234 -13.465 1.00 4.33 H new ATOM 0 HB3 LEU A 87 -6.652 9.404 -12.935 1.00 4.33 H new ATOM 0 HG LEU A 87 -3.899 9.252 -11.681 1.00 65.14 H new ATOM 0 HD11 LEU A 87 -5.046 10.229 -9.733 1.00 23.53 H new ATOM 0 HD12 LEU A 87 -5.160 11.282 -11.163 1.00 23.53 H new ATOM 0 HD13 LEU A 87 -6.560 10.302 -10.666 1.00 23.53 H new ATOM 0 HD21 LEU A 87 -4.924 7.779 -9.992 1.00 14.34 H new ATOM 0 HD22 LEU A 87 -6.433 7.753 -10.936 1.00 14.34 H new ATOM 0 HD23 LEU A 87 -4.948 7.042 -11.612 1.00 14.34 H new ATOM 1363 N LYS A 88 -7.451 7.274 -14.519 1.00 43.50 N ATOM 1364 CA LYS A 88 -8.546 6.312 -14.483 1.00 64.12 C ATOM 1365 C LYS A 88 -8.142 5.004 -15.154 1.00 61.34 C ATOM 1366 O LYS A 88 -8.191 3.938 -14.539 1.00 34.45 O ATOM 1367 CB LYS A 88 -9.782 6.892 -15.173 1.00 32.44 C ATOM 1368 CG LYS A 88 -10.710 7.638 -14.230 1.00 34.23 C ATOM 1369 CD LYS A 88 -10.906 9.080 -14.666 1.00 44.51 C ATOM 1370 CE LYS A 88 -12.271 9.609 -14.252 1.00 65.41 C ATOM 1371 NZ LYS A 88 -12.748 10.687 -15.161 1.00 4.52 N ATOM 0 H LYS A 88 -7.631 8.095 -15.096 1.00 43.50 H new ATOM 0 HA LYS A 88 -8.783 6.106 -13.439 1.00 64.12 H new ATOM 0 HB2 LYS A 88 -9.462 7.569 -15.965 1.00 32.44 H new ATOM 0 HB3 LYS A 88 -10.335 6.083 -15.649 1.00 32.44 H new ATOM 0 HG2 LYS A 88 -11.676 7.133 -14.194 1.00 34.23 H new ATOM 0 HG3 LYS A 88 -10.300 7.615 -13.220 1.00 34.23 H new ATOM 0 HD2 LYS A 88 -10.126 9.702 -14.228 1.00 44.51 H new ATOM 0 HD3 LYS A 88 -10.800 9.151 -15.749 1.00 44.51 H new ATOM 0 HE2 LYS A 88 -12.992 8.791 -14.249 1.00 65.41 H new ATOM 0 HE3 LYS A 88 -12.218 9.991 -13.232 1.00 65.41 H new ATOM 0 HZ1 LYS A 88 -12.734 11.597 -14.658 1.00 4.52 H new ATOM 0 HZ2 LYS A 88 -12.125 10.741 -15.992 1.00 4.52 H new ATOM 0 HZ3 LYS A 88 -13.719 10.477 -15.469 1.00 4.52 H new ATOM 1385 N VAL A 89 -7.742 5.091 -16.419 1.00 65.41 N ATOM 1386 CA VAL A 89 -7.328 3.913 -17.172 1.00 41.13 C ATOM 1387 C VAL A 89 -6.206 3.170 -16.456 1.00 51.13 C ATOM 1388 O VAL A 89 -6.058 1.956 -16.603 1.00 31.43 O ATOM 1389 CB VAL A 89 -6.856 4.291 -18.589 1.00 73.40 C ATOM 1390 CG1 VAL A 89 -5.552 5.071 -18.527 1.00 51.04 C ATOM 1391 CG2 VAL A 89 -6.702 3.046 -19.449 1.00 24.35 C ATOM 0 H VAL A 89 -7.696 5.965 -16.943 1.00 65.41 H new ATOM 0 HA VAL A 89 -8.200 3.263 -17.248 1.00 41.13 H new ATOM 0 HB VAL A 89 -7.612 4.929 -19.047 1.00 73.40 H new ATOM 0 HG11 VAL A 89 -5.234 5.329 -19.537 1.00 51.04 H new ATOM 0 HG12 VAL A 89 -5.701 5.983 -17.949 1.00 51.04 H new ATOM 0 HG13 VAL A 89 -4.785 4.460 -18.050 1.00 51.04 H new ATOM 0 HG21 VAL A 89 -6.368 3.332 -20.446 1.00 24.35 H new ATOM 0 HG22 VAL A 89 -5.967 2.380 -18.997 1.00 24.35 H new ATOM 0 HG23 VAL A 89 -7.661 2.532 -19.521 1.00 24.35 H new ATOM 1401 N PHE A 90 -5.416 3.905 -15.682 1.00 2.25 N ATOM 1402 CA PHE A 90 -4.306 3.316 -14.943 1.00 40.22 C ATOM 1403 C PHE A 90 -4.816 2.442 -13.801 1.00 45.42 C ATOM 1404 O PHE A 90 -4.466 1.266 -13.701 1.00 0.40 O ATOM 1405 CB PHE A 90 -3.391 4.413 -14.392 1.00 34.14 C ATOM 1406 CG PHE A 90 -2.098 3.891 -13.834 1.00 13.42 C ATOM 1407 CD1 PHE A 90 -1.206 3.206 -14.642 1.00 12.54 C ATOM 1408 CD2 PHE A 90 -1.775 4.087 -12.501 1.00 50.41 C ATOM 1409 CE1 PHE A 90 -0.015 2.726 -14.133 1.00 25.44 C ATOM 1410 CE2 PHE A 90 -0.584 3.610 -11.985 1.00 32.44 C ATOM 1411 CZ PHE A 90 0.296 2.926 -12.802 1.00 10.15 C ATOM 0 H PHE A 90 -5.524 4.911 -15.550 1.00 2.25 H new ATOM 0 HA PHE A 90 -3.737 2.690 -15.630 1.00 40.22 H new ATOM 0 HB2 PHE A 90 -3.173 5.126 -15.187 1.00 34.14 H new ATOM 0 HB3 PHE A 90 -3.921 4.958 -13.611 1.00 34.14 H new ATOM 0 HD1 PHE A 90 -1.445 3.045 -15.683 1.00 12.54 H new ATOM 0 HD2 PHE A 90 -2.461 4.618 -11.858 1.00 50.41 H new ATOM 0 HE1 PHE A 90 0.672 2.195 -14.775 1.00 25.44 H new ATOM 0 HE2 PHE A 90 -0.342 3.772 -10.945 1.00 32.44 H new ATOM 0 HZ PHE A 90 1.225 2.549 -12.401 1.00 10.15 H new ATOM 1421 N ALA A 91 -5.643 3.027 -12.940 1.00 64.53 N ATOM 1422 CA ALA A 91 -6.203 2.302 -11.806 1.00 24.20 C ATOM 1423 C ALA A 91 -6.883 1.014 -12.259 1.00 4.21 C ATOM 1424 O ALA A 91 -6.818 -0.008 -11.574 1.00 32.05 O ATOM 1425 CB ALA A 91 -7.187 3.182 -11.050 1.00 44.43 C ATOM 0 H ALA A 91 -5.940 4.001 -13.006 1.00 64.53 H new ATOM 0 HA ALA A 91 -5.384 2.035 -11.138 1.00 24.20 H new ATOM 0 HB1 ALA A 91 -7.597 2.627 -10.206 1.00 44.43 H new ATOM 0 HB2 ALA A 91 -6.673 4.071 -10.685 1.00 44.43 H new ATOM 0 HB3 ALA A 91 -7.997 3.479 -11.717 1.00 44.43 H new ATOM 1431 N VAL A 92 -7.533 1.069 -13.416 1.00 30.44 N ATOM 1432 CA VAL A 92 -8.226 -0.093 -13.960 1.00 42.32 C ATOM 1433 C VAL A 92 -7.247 -1.051 -14.631 1.00 21.43 C ATOM 1434 O VAL A 92 -7.317 -2.264 -14.435 1.00 35.42 O ATOM 1435 CB VAL A 92 -9.302 0.321 -14.981 1.00 4.14 C ATOM 1436 CG1 VAL A 92 -10.068 -0.897 -15.474 1.00 52.34 C ATOM 1437 CG2 VAL A 92 -10.248 1.344 -14.371 1.00 12.23 C ATOM 0 H VAL A 92 -7.595 1.906 -13.996 1.00 30.44 H new ATOM 0 HA VAL A 92 -8.707 -0.596 -13.121 1.00 42.32 H new ATOM 0 HB VAL A 92 -8.808 0.780 -15.837 1.00 4.14 H new ATOM 0 HG11 VAL A 92 -10.824 -0.584 -16.195 1.00 52.34 H new ATOM 0 HG12 VAL A 92 -9.378 -1.592 -15.951 1.00 52.34 H new ATOM 0 HG13 VAL A 92 -10.552 -1.388 -14.630 1.00 52.34 H new ATOM 0 HG21 VAL A 92 -11.002 1.626 -15.106 1.00 12.23 H new ATOM 0 HG22 VAL A 92 -10.736 0.912 -13.497 1.00 12.23 H new ATOM 0 HG23 VAL A 92 -9.684 2.228 -14.072 1.00 12.23 H new ATOM 1447 N ALA A 93 -6.334 -0.497 -15.422 1.00 61.31 N ATOM 1448 CA ALA A 93 -5.339 -1.302 -16.119 1.00 71.12 C ATOM 1449 C ALA A 93 -4.528 -2.144 -15.140 1.00 13.25 C ATOM 1450 O ALA A 93 -3.970 -3.176 -15.508 1.00 61.53 O ATOM 1451 CB ALA A 93 -4.418 -0.409 -16.938 1.00 31.00 C ATOM 0 H ALA A 93 -6.263 0.506 -15.596 1.00 61.31 H new ATOM 0 HA ALA A 93 -5.864 -1.980 -16.792 1.00 71.12 H new ATOM 0 HB1 ALA A 93 -3.680 -1.023 -17.453 1.00 31.00 H new ATOM 0 HB2 ALA A 93 -5.005 0.144 -17.671 1.00 31.00 H new ATOM 0 HB3 ALA A 93 -3.909 0.292 -16.277 1.00 31.00 H new ATOM 1457 N GLY A 94 -4.468 -1.695 -13.890 1.00 42.30 N ATOM 1458 CA GLY A 94 -3.723 -2.419 -12.877 1.00 62.22 C ATOM 1459 C GLY A 94 -4.610 -3.306 -12.027 1.00 70.52 C ATOM 1460 O GLY A 94 -4.533 -4.533 -12.106 1.00 13.12 O ATOM 0 H GLY A 94 -4.922 -0.843 -13.561 1.00 42.30 H new ATOM 0 HA2 GLY A 94 -2.959 -3.029 -13.359 1.00 62.22 H new ATOM 0 HA3 GLY A 94 -3.204 -1.708 -12.235 1.00 62.22 H new ATOM 1464 N LEU A 95 -5.455 -2.687 -11.210 1.00 54.40 N ATOM 1465 CA LEU A 95 -6.360 -3.428 -10.340 1.00 35.24 C ATOM 1466 C LEU A 95 -7.283 -4.330 -11.155 1.00 41.40 C ATOM 1467 O LEU A 95 -7.413 -5.521 -10.872 1.00 22.00 O ATOM 1468 CB LEU A 95 -7.192 -2.463 -9.494 1.00 1.32 C ATOM 1469 CG LEU A 95 -6.482 -1.847 -8.287 1.00 52.11 C ATOM 1470 CD1 LEU A 95 -5.956 -2.936 -7.365 1.00 2.34 C ATOM 1471 CD2 LEU A 95 -5.351 -0.937 -8.741 1.00 42.31 C ATOM 0 H LEU A 95 -5.532 -1.673 -11.132 1.00 54.40 H new ATOM 0 HA LEU A 95 -5.758 -4.054 -9.681 1.00 35.24 H new ATOM 0 HB2 LEU A 95 -7.540 -1.655 -10.137 1.00 1.32 H new ATOM 0 HB3 LEU A 95 -8.077 -2.992 -9.139 1.00 1.32 H new ATOM 0 HG LEU A 95 -7.203 -1.247 -7.732 1.00 52.11 H new ATOM 0 HD11 LEU A 95 -5.454 -2.479 -6.512 1.00 2.34 H new ATOM 0 HD12 LEU A 95 -6.787 -3.547 -7.013 1.00 2.34 H new ATOM 0 HD13 LEU A 95 -5.249 -3.563 -7.909 1.00 2.34 H new ATOM 0 HD21 LEU A 95 -4.857 -0.508 -7.869 1.00 42.31 H new ATOM 0 HD22 LEU A 95 -4.629 -1.514 -9.319 1.00 42.31 H new ATOM 0 HD23 LEU A 95 -5.755 -0.136 -9.360 1.00 42.31 H new ATOM 1483 N LEU A 96 -7.918 -3.754 -12.170 1.00 34.24 N ATOM 1484 CA LEU A 96 -8.827 -4.506 -13.029 1.00 21.41 C ATOM 1485 C LEU A 96 -8.054 -5.307 -14.071 1.00 41.14 C ATOM 1486 O LEU A 96 -8.641 -6.035 -14.870 1.00 41.31 O ATOM 1487 CB LEU A 96 -9.808 -3.558 -13.721 1.00 62.12 C ATOM 1488 CG LEU A 96 -11.274 -3.688 -13.306 1.00 65.05 C ATOM 1489 CD1 LEU A 96 -11.700 -2.492 -12.471 1.00 12.34 C ATOM 1490 CD2 LEU A 96 -12.165 -3.830 -14.532 1.00 24.20 C ATOM 0 H LEU A 96 -7.820 -2.770 -12.418 1.00 34.24 H new ATOM 0 HA LEU A 96 -9.385 -5.203 -12.404 1.00 21.41 H new ATOM 0 HB2 LEU A 96 -9.487 -2.534 -13.531 1.00 62.12 H new ATOM 0 HB3 LEU A 96 -9.740 -3.719 -14.797 1.00 62.12 H new ATOM 0 HG LEU A 96 -11.381 -4.586 -12.698 1.00 65.05 H new ATOM 0 HD11 LEU A 96 -12.746 -2.602 -12.185 1.00 12.34 H new ATOM 0 HD12 LEU A 96 -11.083 -2.436 -11.574 1.00 12.34 H new ATOM 0 HD13 LEU A 96 -11.577 -1.579 -13.054 1.00 12.34 H new ATOM 0 HD21 LEU A 96 -13.205 -3.921 -14.218 1.00 24.20 H new ATOM 0 HD22 LEU A 96 -12.054 -2.951 -15.166 1.00 24.20 H new ATOM 0 HD23 LEU A 96 -11.876 -4.720 -15.091 1.00 24.20 H new ATOM 1502 N ASN A 97 -6.732 -5.166 -14.056 1.00 60.13 N ATOM 1503 CA ASN A 97 -5.877 -5.878 -15.000 1.00 21.04 C ATOM 1504 C ASN A 97 -6.290 -5.581 -16.438 1.00 42.11 C ATOM 1505 O ASN A 97 -6.298 -6.471 -17.288 1.00 41.32 O ATOM 1506 CB ASN A 97 -5.939 -7.385 -14.741 1.00 2.14 C ATOM 1507 CG ASN A 97 -5.342 -7.766 -13.399 1.00 51.22 C ATOM 1508 OD1 ASN A 97 -5.367 -6.982 -12.451 1.00 14.33 O ATOM 1509 ND2 ASN A 97 -4.801 -8.975 -13.315 1.00 71.32 N ATOM 0 H ASN A 97 -6.230 -4.566 -13.401 1.00 60.13 H new ATOM 0 HA ASN A 97 -4.853 -5.533 -14.856 1.00 21.04 H new ATOM 0 HB2 ASN A 97 -6.977 -7.715 -14.781 1.00 2.14 H new ATOM 0 HB3 ASN A 97 -5.407 -7.910 -15.535 1.00 2.14 H new ATOM 0 HD21 ASN A 97 -4.383 -9.287 -12.438 1.00 71.32 H new ATOM 0 HD22 ASN A 97 -4.803 -9.592 -14.127 1.00 71.32 H new ATOM 1516 N MET A 98 -6.630 -4.324 -16.703 1.00 21.45 N ATOM 1517 CA MET A 98 -7.042 -3.909 -18.039 1.00 43.31 C ATOM 1518 C MET A 98 -8.369 -4.555 -18.424 1.00 65.02 C ATOM 1519 O MET A 98 -8.606 -5.730 -18.137 1.00 13.53 O ATOM 1520 CB MET A 98 -5.967 -4.274 -19.064 1.00 63.41 C ATOM 1521 CG MET A 98 -6.037 -3.450 -20.339 1.00 62.43 C ATOM 1522 SD MET A 98 -7.063 -4.219 -21.606 1.00 34.10 S ATOM 1523 CE MET A 98 -5.811 -4.906 -22.686 1.00 53.23 C ATOM 0 H MET A 98 -6.628 -3.575 -16.010 1.00 21.45 H new ATOM 0 HA MET A 98 -7.174 -2.827 -18.032 1.00 43.31 H new ATOM 0 HB2 MET A 98 -4.985 -4.143 -18.610 1.00 63.41 H new ATOM 0 HB3 MET A 98 -6.062 -5.330 -19.318 1.00 63.41 H new ATOM 0 HG2 MET A 98 -6.433 -2.461 -20.107 1.00 62.43 H new ATOM 0 HG3 MET A 98 -5.030 -3.306 -20.730 1.00 62.43 H new ATOM 0 HE1 MET A 98 -6.291 -5.416 -23.521 1.00 53.23 H new ATOM 0 HE2 MET A 98 -5.178 -4.104 -23.066 1.00 53.23 H new ATOM 0 HE3 MET A 98 -5.201 -5.617 -22.129 1.00 53.23 H new ATOM 1533 N THR A 99 -9.231 -3.782 -19.077 1.00 23.25 N ATOM 1534 CA THR A 99 -10.535 -4.279 -19.500 1.00 64.53 C ATOM 1535 C THR A 99 -11.163 -3.359 -20.539 1.00 70.33 C ATOM 1536 O THR A 99 -12.385 -3.296 -20.670 1.00 11.44 O ATOM 1537 CB THR A 99 -11.498 -4.419 -18.305 1.00 60.31 C ATOM 1538 OG1 THR A 99 -10.794 -4.189 -17.079 1.00 50.10 O ATOM 1539 CG2 THR A 99 -12.131 -5.801 -18.281 1.00 24.54 C ATOM 0 H THR A 99 -9.050 -2.809 -19.325 1.00 23.25 H new ATOM 0 HA THR A 99 -10.371 -5.262 -19.941 1.00 64.53 H new ATOM 0 HB THR A 99 -12.288 -3.676 -18.414 1.00 60.31 H new ATOM 0 HG1 THR A 99 -10.355 -5.017 -16.793 1.00 50.10 H new ATOM 0 HG21 THR A 99 -12.807 -5.877 -17.429 1.00 24.54 H new ATOM 0 HG22 THR A 99 -12.690 -5.961 -19.203 1.00 24.54 H new ATOM 0 HG23 THR A 99 -11.351 -6.557 -18.194 1.00 24.54 H new ATOM 1547 N VAL A 100 -10.319 -2.647 -21.280 1.00 31.25 N ATOM 1548 CA VAL A 100 -10.792 -1.731 -22.311 1.00 2.43 C ATOM 1549 C VAL A 100 -9.775 -1.600 -23.439 1.00 1.15 C ATOM 1550 O VAL A 100 -8.745 -2.274 -23.441 1.00 43.51 O ATOM 1551 CB VAL A 100 -11.080 -0.333 -21.730 1.00 30.12 C ATOM 1552 CG1 VAL A 100 -12.196 -0.404 -20.698 1.00 13.22 C ATOM 1553 CG2 VAL A 100 -9.819 0.261 -21.122 1.00 55.22 C ATOM 0 H VAL A 100 -9.304 -2.687 -21.185 1.00 31.25 H new ATOM 0 HA VAL A 100 -11.717 -2.150 -22.707 1.00 2.43 H new ATOM 0 HB VAL A 100 -11.407 0.318 -22.541 1.00 30.12 H new ATOM 0 HG11 VAL A 100 -12.386 0.592 -20.298 1.00 13.22 H new ATOM 0 HG12 VAL A 100 -13.103 -0.785 -21.168 1.00 13.22 H new ATOM 0 HG13 VAL A 100 -11.900 -1.070 -19.887 1.00 13.22 H new ATOM 0 HG21 VAL A 100 -10.041 1.248 -20.717 1.00 55.22 H new ATOM 0 HG22 VAL A 100 -9.460 -0.387 -20.323 1.00 55.22 H new ATOM 0 HG23 VAL A 100 -9.051 0.349 -21.890 1.00 55.22 H new ATOM 1563 N SER A 101 -10.071 -0.727 -24.396 1.00 70.43 N ATOM 1564 CA SER A 101 -9.183 -0.511 -25.533 1.00 33.13 C ATOM 1565 C SER A 101 -8.627 0.910 -25.524 1.00 53.33 C ATOM 1566 O SER A 101 -7.542 1.168 -26.046 1.00 12.34 O ATOM 1567 CB SER A 101 -9.927 -0.771 -26.844 1.00 60.24 C ATOM 1568 OG SER A 101 -9.287 -1.784 -27.601 1.00 31.33 O ATOM 0 H SER A 101 -10.918 -0.158 -24.407 1.00 70.43 H new ATOM 0 HA SER A 101 -8.350 -1.210 -25.451 1.00 33.13 H new ATOM 0 HB2 SER A 101 -10.954 -1.066 -26.630 1.00 60.24 H new ATOM 0 HB3 SER A 101 -9.974 0.148 -27.428 1.00 60.24 H new ATOM 0 HG SER A 101 -9.783 -1.933 -28.433 1.00 31.33 H new ATOM 1574 N THR A 102 -9.379 1.830 -24.927 1.00 34.30 N ATOM 1575 CA THR A 102 -8.964 3.225 -24.851 1.00 22.22 C ATOM 1576 C THR A 102 -9.102 3.762 -23.431 1.00 30.04 C ATOM 1577 O THR A 102 -9.932 3.288 -22.656 1.00 21.41 O ATOM 1578 CB THR A 102 -9.787 4.109 -25.805 1.00 12.31 C ATOM 1579 OG1 THR A 102 -11.109 4.293 -25.285 1.00 61.43 O ATOM 1580 CG2 THR A 102 -9.863 3.486 -27.190 1.00 52.10 C ATOM 0 H THR A 102 -10.279 1.633 -24.489 1.00 34.30 H new ATOM 0 HA THR A 102 -7.916 3.260 -25.150 1.00 22.22 H new ATOM 0 HB THR A 102 -9.292 5.076 -25.886 1.00 12.31 H new ATOM 0 HG1 THR A 102 -11.626 4.858 -25.897 1.00 61.43 H new ATOM 0 HG21 THR A 102 -10.450 4.129 -27.846 1.00 52.10 H new ATOM 0 HG22 THR A 102 -8.857 3.375 -27.595 1.00 52.10 H new ATOM 0 HG23 THR A 102 -10.337 2.507 -27.123 1.00 52.10 H new ATOM 1588 N ALA A 103 -8.284 4.756 -23.097 1.00 31.43 N ATOM 1589 CA ALA A 103 -8.319 5.359 -21.770 1.00 54.04 C ATOM 1590 C ALA A 103 -9.723 5.839 -21.422 1.00 22.14 C ATOM 1591 O ALA A 103 -10.156 5.738 -20.274 1.00 31.43 O ATOM 1592 CB ALA A 103 -7.330 6.513 -21.690 1.00 61.25 C ATOM 0 H ALA A 103 -7.590 5.160 -23.726 1.00 31.43 H new ATOM 0 HA ALA A 103 -8.034 4.598 -21.044 1.00 54.04 H new ATOM 0 HB1 ALA A 103 -7.366 6.955 -20.694 1.00 61.25 H new ATOM 0 HB2 ALA A 103 -6.324 6.144 -21.887 1.00 61.25 H new ATOM 0 HB3 ALA A 103 -7.591 7.268 -22.431 1.00 61.25 H new ATOM 1598 N ALA A 104 -10.430 6.362 -22.418 1.00 75.15 N ATOM 1599 CA ALA A 104 -11.786 6.855 -22.216 1.00 75.13 C ATOM 1600 C ALA A 104 -12.727 5.726 -21.813 1.00 34.33 C ATOM 1601 O ALA A 104 -13.484 5.849 -20.851 1.00 24.45 O ATOM 1602 CB ALA A 104 -12.291 7.542 -23.477 1.00 73.44 C ATOM 0 H ALA A 104 -10.086 6.455 -23.374 1.00 75.15 H new ATOM 0 HA ALA A 104 -11.765 7.581 -21.403 1.00 75.13 H new ATOM 0 HB1 ALA A 104 -13.305 7.905 -23.312 1.00 73.44 H new ATOM 0 HB2 ALA A 104 -11.640 8.382 -23.720 1.00 73.44 H new ATOM 0 HB3 ALA A 104 -12.290 6.831 -24.304 1.00 73.44 H new ATOM 1608 N ALA A 105 -12.677 4.625 -22.557 1.00 30.11 N ATOM 1609 CA ALA A 105 -13.524 3.473 -22.276 1.00 72.23 C ATOM 1610 C ALA A 105 -13.333 2.988 -20.843 1.00 72.11 C ATOM 1611 O ALA A 105 -14.295 2.622 -20.168 1.00 74.44 O ATOM 1612 CB ALA A 105 -13.231 2.350 -23.260 1.00 21.14 C ATOM 0 H ALA A 105 -12.058 4.507 -23.359 1.00 30.11 H new ATOM 0 HA ALA A 105 -14.563 3.780 -22.392 1.00 72.23 H new ATOM 0 HB1 ALA A 105 -13.871 1.496 -23.038 1.00 21.14 H new ATOM 0 HB2 ALA A 105 -13.426 2.696 -24.275 1.00 21.14 H new ATOM 0 HB3 ALA A 105 -12.186 2.053 -23.172 1.00 21.14 H new ATOM 1618 N ALA A 106 -12.086 2.987 -20.385 1.00 12.33 N ATOM 1619 CA ALA A 106 -11.770 2.548 -19.032 1.00 64.33 C ATOM 1620 C ALA A 106 -12.381 3.483 -17.993 1.00 52.53 C ATOM 1621 O ALA A 106 -12.896 3.035 -16.970 1.00 12.32 O ATOM 1622 CB ALA A 106 -10.262 2.461 -18.844 1.00 23.22 C ATOM 0 H ALA A 106 -11.278 3.285 -20.931 1.00 12.33 H new ATOM 0 HA ALA A 106 -12.201 1.557 -18.889 1.00 64.33 H new ATOM 0 HB1 ALA A 106 -10.040 2.132 -17.829 1.00 23.22 H new ATOM 0 HB2 ALA A 106 -9.847 1.747 -19.556 1.00 23.22 H new ATOM 0 HB3 ALA A 106 -9.817 3.442 -19.013 1.00 23.22 H new ATOM 1628 N GLU A 107 -12.319 4.782 -18.266 1.00 11.34 N ATOM 1629 CA GLU A 107 -12.867 5.780 -17.353 1.00 45.42 C ATOM 1630 C GLU A 107 -14.372 5.597 -17.186 1.00 41.31 C ATOM 1631 O GLU A 107 -14.873 5.478 -16.068 1.00 42.44 O ATOM 1632 CB GLU A 107 -12.566 7.190 -17.865 1.00 13.12 C ATOM 1633 CG GLU A 107 -13.288 8.284 -17.095 1.00 65.31 C ATOM 1634 CD GLU A 107 -14.683 8.548 -17.625 1.00 60.02 C ATOM 1635 OE1 GLU A 107 -15.658 8.165 -16.945 1.00 34.23 O ATOM 1636 OE2 GLU A 107 -14.800 9.138 -18.719 1.00 75.22 O ATOM 0 H GLU A 107 -11.896 5.168 -19.110 1.00 11.34 H new ATOM 0 HA GLU A 107 -12.393 5.645 -16.381 1.00 45.42 H new ATOM 0 HB2 GLU A 107 -11.492 7.366 -17.809 1.00 13.12 H new ATOM 0 HB3 GLU A 107 -12.845 7.253 -18.917 1.00 13.12 H new ATOM 0 HG2 GLU A 107 -13.350 8.002 -16.044 1.00 65.31 H new ATOM 0 HG3 GLU A 107 -12.705 9.203 -17.145 1.00 65.31 H new ATOM 1643 N ASN A 108 -15.087 5.575 -18.305 1.00 35.51 N ATOM 1644 CA ASN A 108 -16.535 5.407 -18.284 1.00 12.03 C ATOM 1645 C ASN A 108 -16.922 4.104 -17.591 1.00 13.30 C ATOM 1646 O ASN A 108 -17.933 4.037 -16.893 1.00 25.02 O ATOM 1647 CB ASN A 108 -17.094 5.426 -19.708 1.00 11.11 C ATOM 1648 CG ASN A 108 -17.986 6.625 -19.964 1.00 54.41 C ATOM 1649 OD1 ASN A 108 -18.715 7.070 -19.078 1.00 33.13 O ATOM 1650 ND2 ASN A 108 -17.932 7.154 -21.180 1.00 54.04 N ATOM 0 H ASN A 108 -14.687 5.671 -19.238 1.00 35.51 H new ATOM 0 HA ASN A 108 -16.963 6.238 -17.723 1.00 12.03 H new ATOM 0 HB2 ASN A 108 -16.268 5.433 -20.419 1.00 11.11 H new ATOM 0 HB3 ASN A 108 -17.660 4.511 -19.885 1.00 11.11 H new ATOM 0 HD21 ASN A 108 -18.510 7.962 -21.411 1.00 54.04 H new ATOM 0 HD22 ASN A 108 -17.313 6.752 -21.884 1.00 54.04 H new ATOM 1657 N MET A 109 -16.110 3.071 -17.790 1.00 42.41 N ATOM 1658 CA MET A 109 -16.366 1.770 -17.183 1.00 73.23 C ATOM 1659 C MET A 109 -16.114 1.813 -15.679 1.00 41.02 C ATOM 1660 O MET A 109 -16.936 1.350 -14.889 1.00 62.54 O ATOM 1661 CB MET A 109 -15.485 0.699 -17.830 1.00 2.31 C ATOM 1662 CG MET A 109 -16.112 -0.685 -17.831 1.00 4.03 C ATOM 1663 SD MET A 109 -16.106 -1.452 -16.199 1.00 12.24 S ATOM 1664 CE MET A 109 -14.348 -1.518 -15.863 1.00 42.10 C ATOM 0 H MET A 109 -15.270 3.109 -18.367 1.00 42.41 H new ATOM 0 HA MET A 109 -17.413 1.518 -17.351 1.00 73.23 H new ATOM 0 HB2 MET A 109 -15.268 0.991 -18.857 1.00 2.31 H new ATOM 0 HB3 MET A 109 -14.532 0.657 -17.302 1.00 2.31 H new ATOM 0 HG2 MET A 109 -17.138 -0.614 -18.191 1.00 4.03 H new ATOM 0 HG3 MET A 109 -15.572 -1.324 -18.530 1.00 4.03 H new ATOM 0 HE1 MET A 109 -14.170 -2.124 -14.975 1.00 42.10 H new ATOM 0 HE2 MET A 109 -13.831 -1.961 -16.714 1.00 42.10 H new ATOM 0 HE3 MET A 109 -13.971 -0.509 -15.695 1.00 42.10 H new ATOM 1674 N TYR A 110 -14.973 2.371 -15.291 1.00 41.02 N ATOM 1675 CA TYR A 110 -14.612 2.472 -13.882 1.00 14.12 C ATOM 1676 C TYR A 110 -15.733 3.121 -13.076 1.00 35.51 C ATOM 1677 O TYR A 110 -16.031 2.704 -11.957 1.00 50.23 O ATOM 1678 CB TYR A 110 -13.321 3.278 -13.720 1.00 74.53 C ATOM 1679 CG TYR A 110 -12.833 3.359 -12.291 1.00 72.45 C ATOM 1680 CD1 TYR A 110 -13.118 4.466 -11.503 1.00 3.24 C ATOM 1681 CD2 TYR A 110 -12.088 2.329 -11.732 1.00 44.35 C ATOM 1682 CE1 TYR A 110 -12.673 4.546 -10.197 1.00 4.31 C ATOM 1683 CE2 TYR A 110 -11.640 2.400 -10.426 1.00 75.22 C ATOM 1684 CZ TYR A 110 -11.935 3.510 -9.663 1.00 15.21 C ATOM 1685 OH TYR A 110 -11.490 3.585 -8.364 1.00 24.44 O ATOM 0 H TYR A 110 -14.282 2.760 -15.932 1.00 41.02 H new ATOM 0 HA TYR A 110 -14.453 1.463 -13.502 1.00 14.12 H new ATOM 0 HB2 TYR A 110 -12.542 2.829 -14.336 1.00 74.53 H new ATOM 0 HB3 TYR A 110 -13.483 4.288 -14.098 1.00 74.53 H new ATOM 0 HD1 TYR A 110 -13.697 5.278 -11.917 1.00 3.24 H new ATOM 0 HD2 TYR A 110 -11.855 1.458 -12.327 1.00 44.35 H new ATOM 0 HE1 TYR A 110 -12.902 5.415 -9.598 1.00 4.31 H new ATOM 0 HE2 TYR A 110 -11.062 1.590 -10.006 1.00 75.22 H new ATOM 0 HH TYR A 110 -10.987 2.774 -8.143 1.00 24.44 H new ATOM 1695 N SER A 111 -16.354 4.144 -13.656 1.00 60.13 N ATOM 1696 CA SER A 111 -17.441 4.853 -12.993 1.00 3.14 C ATOM 1697 C SER A 111 -18.771 4.138 -13.214 1.00 5.12 C ATOM 1698 O SER A 111 -19.655 4.172 -12.357 1.00 54.24 O ATOM 1699 CB SER A 111 -17.530 6.291 -13.510 1.00 30.02 C ATOM 1700 OG SER A 111 -18.292 6.357 -14.703 1.00 54.11 O ATOM 0 H SER A 111 -16.122 4.500 -14.584 1.00 60.13 H new ATOM 0 HA SER A 111 -17.231 4.871 -11.923 1.00 3.14 H new ATOM 0 HB2 SER A 111 -17.983 6.927 -12.750 1.00 30.02 H new ATOM 0 HB3 SER A 111 -16.528 6.678 -13.693 1.00 30.02 H new ATOM 0 HG SER A 111 -18.335 7.286 -15.012 1.00 54.11 H new ATOM 1706 N GLN A 112 -18.904 3.492 -14.367 1.00 62.13 N ATOM 1707 CA GLN A 112 -20.126 2.769 -14.700 1.00 63.23 C ATOM 1708 C GLN A 112 -20.383 1.645 -13.701 1.00 0.52 C ATOM 1709 O GLN A 112 -21.528 1.257 -13.472 1.00 2.32 O ATOM 1710 CB GLN A 112 -20.034 2.197 -16.116 1.00 72.43 C ATOM 1711 CG GLN A 112 -21.181 1.264 -16.471 1.00 22.00 C ATOM 1712 CD GLN A 112 -21.687 1.474 -17.884 1.00 20.43 C ATOM 1713 OE1 GLN A 112 -21.458 0.646 -18.766 1.00 60.15 O ATOM 1714 NE2 GLN A 112 -22.380 2.584 -18.107 1.00 33.22 N ATOM 0 H GLN A 112 -18.182 3.454 -15.086 1.00 62.13 H new ATOM 0 HA GLN A 112 -20.959 3.471 -14.652 1.00 63.23 H new ATOM 0 HB2 GLN A 112 -20.011 3.020 -16.831 1.00 72.43 H new ATOM 0 HB3 GLN A 112 -19.092 1.658 -16.221 1.00 72.43 H new ATOM 0 HG2 GLN A 112 -20.853 0.231 -16.356 1.00 22.00 H new ATOM 0 HG3 GLN A 112 -22.000 1.418 -15.769 1.00 22.00 H new ATOM 0 HE21 GLN A 112 -22.546 3.243 -17.346 1.00 33.22 H new ATOM 0 HE22 GLN A 112 -22.746 2.778 -19.039 1.00 33.22 H new ATOM 1723 N MET A 113 -19.312 1.128 -13.110 1.00 63.21 N ATOM 1724 CA MET A 113 -19.422 0.050 -12.135 1.00 35.54 C ATOM 1725 C MET A 113 -19.721 0.602 -10.745 1.00 12.32 C ATOM 1726 O MET A 113 -20.242 -0.104 -9.884 1.00 22.32 O ATOM 1727 CB MET A 113 -18.133 -0.773 -12.103 1.00 22.10 C ATOM 1728 CG MET A 113 -18.354 -2.258 -12.337 1.00 73.44 C ATOM 1729 SD MET A 113 -17.680 -3.279 -11.013 1.00 71.21 S ATOM 1730 CE MET A 113 -16.331 -4.093 -11.866 1.00 21.15 C ATOM 0 H MET A 113 -18.357 1.438 -13.289 1.00 63.21 H new ATOM 0 HA MET A 113 -20.248 -0.594 -12.436 1.00 35.54 H new ATOM 0 HB2 MET A 113 -17.449 -0.392 -12.862 1.00 22.10 H new ATOM 0 HB3 MET A 113 -17.647 -0.634 -11.137 1.00 22.10 H new ATOM 0 HG2 MET A 113 -19.422 -2.452 -12.431 1.00 73.44 H new ATOM 0 HG3 MET A 113 -17.893 -2.545 -13.282 1.00 73.44 H new ATOM 0 HE1 MET A 113 -15.815 -4.761 -11.176 1.00 21.15 H new ATOM 0 HE2 MET A 113 -16.725 -4.669 -12.703 1.00 21.15 H new ATOM 0 HE3 MET A 113 -15.631 -3.345 -12.238 1.00 21.15 H new ATOM 1740 N GLY A 114 -19.388 1.873 -10.534 1.00 22.41 N ATOM 1741 CA GLY A 114 -19.628 2.499 -9.246 1.00 64.33 C ATOM 1742 C GLY A 114 -18.351 2.709 -8.457 1.00 4.22 C ATOM 1743 O GLY A 114 -18.377 2.784 -7.228 1.00 2.32 O ATOM 0 H GLY A 114 -18.957 2.479 -11.232 1.00 22.41 H new ATOM 0 HA2 GLY A 114 -20.120 3.460 -9.398 1.00 64.33 H new ATOM 0 HA3 GLY A 114 -20.312 1.879 -8.666 1.00 64.33 H new ATOM 1747 N LEU A 115 -17.230 2.803 -9.164 1.00 10.35 N ATOM 1748 CA LEU A 115 -15.936 3.005 -8.521 1.00 74.12 C ATOM 1749 C LEU A 115 -15.583 4.488 -8.462 1.00 21.00 C ATOM 1750 O LEU A 115 -14.820 4.920 -7.598 1.00 3.15 O ATOM 1751 CB LEU A 115 -14.847 2.239 -9.273 1.00 62.15 C ATOM 1752 CG LEU A 115 -15.202 0.816 -9.704 1.00 61.21 C ATOM 1753 CD1 LEU A 115 -13.997 0.130 -10.330 1.00 11.12 C ATOM 1754 CD2 LEU A 115 -15.719 0.013 -8.519 1.00 44.14 C ATOM 0 H LEU A 115 -17.191 2.743 -10.181 1.00 10.35 H new ATOM 0 HA LEU A 115 -16.001 2.625 -7.501 1.00 74.12 H new ATOM 0 HB2 LEU A 115 -14.578 2.810 -10.162 1.00 62.15 H new ATOM 0 HB3 LEU A 115 -13.960 2.195 -8.641 1.00 62.15 H new ATOM 0 HG LEU A 115 -15.992 0.871 -10.453 1.00 61.21 H new ATOM 0 HD11 LEU A 115 -14.270 -0.882 -10.630 1.00 11.12 H new ATOM 0 HD12 LEU A 115 -13.672 0.693 -11.205 1.00 11.12 H new ATOM 0 HD13 LEU A 115 -13.185 0.087 -9.604 1.00 11.12 H new ATOM 0 HD21 LEU A 115 -15.967 -0.997 -8.844 1.00 44.14 H new ATOM 0 HD22 LEU A 115 -14.951 -0.033 -7.747 1.00 44.14 H new ATOM 0 HD23 LEU A 115 -16.611 0.493 -8.115 1.00 44.14 H new ATOM 1766 N ASP A 116 -16.143 5.262 -9.385 1.00 74.52 N ATOM 1767 CA ASP A 116 -15.890 6.696 -9.436 1.00 55.31 C ATOM 1768 C ASP A 116 -17.184 7.483 -9.252 1.00 52.31 C ATOM 1769 O ASP A 116 -17.918 7.725 -10.212 1.00 5.44 O ATOM 1770 CB ASP A 116 -15.234 7.073 -10.766 1.00 33.33 C ATOM 1771 CG ASP A 116 -15.340 8.555 -11.064 1.00 12.42 C ATOM 1772 OD1 ASP A 116 -15.088 9.366 -10.147 1.00 32.44 O ATOM 1773 OD2 ASP A 116 -15.675 8.906 -12.215 1.00 21.14 O ATOM 0 H ASP A 116 -16.775 4.920 -10.108 1.00 74.52 H new ATOM 0 HA ASP A 116 -15.212 6.950 -8.621 1.00 55.31 H new ATOM 0 HB2 ASP A 116 -14.183 6.784 -10.744 1.00 33.33 H new ATOM 0 HB3 ASP A 116 -15.703 6.509 -11.572 1.00 33.33 H new ATOM 1778 N THR A 117 -17.460 7.879 -8.014 1.00 43.51 N ATOM 1779 CA THR A 117 -18.665 8.636 -7.703 1.00 34.23 C ATOM 1780 C THR A 117 -18.695 9.959 -8.461 1.00 64.13 C ATOM 1781 O THR A 117 -17.682 10.653 -8.557 1.00 34.34 O ATOM 1782 CB THR A 117 -18.776 8.921 -6.193 1.00 33.23 C ATOM 1783 OG1 THR A 117 -17.985 7.980 -5.458 1.00 15.52 O ATOM 1784 CG2 THR A 117 -20.224 8.842 -5.733 1.00 34.31 C ATOM 0 H THR A 117 -16.864 7.687 -7.209 1.00 43.51 H new ATOM 0 HA THR A 117 -19.511 8.023 -8.013 1.00 34.23 H new ATOM 0 HB THR A 117 -18.407 9.930 -6.007 1.00 33.23 H new ATOM 0 HG1 THR A 117 -17.064 8.309 -5.391 1.00 15.52 H new ATOM 0 HG21 THR A 117 -20.278 9.047 -4.664 1.00 34.31 H new ATOM 0 HG22 THR A 117 -20.818 9.579 -6.274 1.00 34.31 H new ATOM 0 HG23 THR A 117 -20.615 7.844 -5.931 1.00 34.31 H new ATOM 1792 N ARG A 118 -19.861 10.301 -8.998 1.00 63.23 N ATOM 1793 CA ARG A 118 -20.021 11.541 -9.749 1.00 33.21 C ATOM 1794 C ARG A 118 -21.025 12.464 -9.064 1.00 52.42 C ATOM 1795 O ARG A 118 -22.138 12.677 -9.545 1.00 15.12 O ATOM 1796 CB ARG A 118 -20.480 11.242 -11.178 1.00 22.45 C ATOM 1797 CG ARG A 118 -19.335 11.029 -12.153 1.00 64.12 C ATOM 1798 CD ARG A 118 -19.826 10.462 -13.475 1.00 31.12 C ATOM 1799 NE ARG A 118 -18.817 10.567 -14.526 1.00 12.44 N ATOM 1800 CZ ARG A 118 -18.995 10.119 -15.764 1.00 2.32 C ATOM 1801 NH1 ARG A 118 -20.137 9.539 -16.104 1.00 34.04 N ATOM 1802 NH2 ARG A 118 -18.029 10.252 -16.663 1.00 52.33 N ATOM 0 H ARG A 118 -20.708 9.738 -8.927 1.00 63.23 H new ATOM 0 HA ARG A 118 -19.054 12.043 -9.783 1.00 33.21 H new ATOM 0 HB2 ARG A 118 -21.109 10.352 -11.170 1.00 22.45 H new ATOM 0 HB3 ARG A 118 -21.099 12.067 -11.532 1.00 22.45 H new ATOM 0 HG2 ARG A 118 -18.825 11.976 -12.329 1.00 64.12 H new ATOM 0 HG3 ARG A 118 -18.604 10.350 -11.714 1.00 64.12 H new ATOM 0 HD2 ARG A 118 -20.101 9.416 -13.340 1.00 31.12 H new ATOM 0 HD3 ARG A 118 -20.727 10.992 -13.784 1.00 31.12 H new ATOM 0 HE ARG A 118 -17.927 11.009 -14.297 1.00 12.44 H new ATOM 0 HH11 ARG A 118 -20.882 9.436 -15.415 1.00 34.04 H new ATOM 0 HH12 ARG A 118 -20.271 9.196 -17.055 1.00 34.04 H new ATOM 0 HH21 ARG A 118 -17.149 10.698 -16.404 1.00 52.33 H new ATOM 0 HH22 ARG A 118 -18.166 9.908 -17.613 1.00 52.33 H new ATOM 1816 N PRO A 119 -20.623 13.027 -7.915 1.00 24.40 N ATOM 1817 CA PRO A 119 -21.472 13.936 -7.139 1.00 1.31 C ATOM 1818 C PRO A 119 -21.674 15.277 -7.838 1.00 22.32 C ATOM 1819 O PRO A 119 -21.135 15.511 -8.919 1.00 10.55 O ATOM 1820 CB PRO A 119 -20.692 14.124 -5.835 1.00 54.14 C ATOM 1821 CG PRO A 119 -19.272 13.862 -6.203 1.00 11.03 C ATOM 1822 CD PRO A 119 -19.309 12.817 -7.283 1.00 20.32 C ATOM 0 HA PRO A 119 -22.476 13.535 -6.996 1.00 1.31 H new ATOM 0 HB2 PRO A 119 -20.819 15.132 -5.439 1.00 54.14 H new ATOM 0 HB3 PRO A 119 -21.036 13.433 -5.065 1.00 54.14 H new ATOM 0 HG2 PRO A 119 -18.787 14.772 -6.557 1.00 11.03 H new ATOM 0 HG3 PRO A 119 -18.704 13.512 -5.341 1.00 11.03 H new ATOM 0 HD2 PRO A 119 -18.495 12.947 -7.996 1.00 20.32 H new ATOM 0 HD3 PRO A 119 -19.216 11.811 -6.873 1.00 20.32 H new TER 1830 PRO A 119