USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 92 THR OG1 : rot -82:sc= 0.381 USER MOD Set 1.2: A 98 THR OG1 : rot 98:sc= 1.22 USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.0014) USER MOD Single : A 43 MET CE :methyl -169:sc= 0 (180deg=-0.121) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 50 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.076) USER MOD Single : A 51 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00102 USER MOD Single : A 69 MET CE :methyl -119:sc= -0.0397 (180deg=-0.225) USER MOD Single : A 72 THR OG1 : rot 84:sc= 0.436 USER MOD Single : A 74 GLN : amide:sc= 0.642 K(o=0.64,f=-0.12) USER MOD Single : A 75 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.15) USER MOD Single : A 79 ASN : amide:sc= 1.18 K(o=1.2,f=-0.064) USER MOD Single : A 81 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-6.3!) USER MOD Single : A 84 GLN : amide:sc= -0.455 K(o=-0.45,f=-2.8!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -145:sc= 1.32 USER MOD Single : A 91 ASN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -1.459 25.330 24.288 1.00 43.42 N ATOM 2 CA GLY A 41 -0.764 25.450 23.004 1.00 40.44 C ATOM 3 C GLY A 41 -1.029 26.806 22.372 1.00 41.23 C ATOM 4 O GLY A 41 -0.565 27.819 22.903 1.00 60.22 O ATOM 0 HA2 GLY A 41 0.308 25.316 23.151 1.00 40.44 H new ATOM 0 HA3 GLY A 41 -1.095 24.659 22.331 1.00 40.44 H new ATOM 8 N ALA A 42 -1.798 26.834 21.276 1.00 52.14 N ATOM 9 CA ALA A 42 -2.184 28.007 20.493 1.00 24.15 C ATOM 10 C ALA A 42 -0.989 28.938 20.233 1.00 10.30 C ATOM 11 O ALA A 42 -0.924 30.045 20.772 1.00 21.21 O ATOM 12 CB ALA A 42 -3.374 28.707 21.166 1.00 1.53 C ATOM 0 H ALA A 42 -2.192 25.977 20.889 1.00 52.14 H new ATOM 0 HA ALA A 42 -2.512 27.688 19.504 1.00 24.15 H new ATOM 0 HB1 ALA A 42 -3.660 29.581 20.581 1.00 1.53 H new ATOM 0 HB2 ALA A 42 -4.216 28.018 21.224 1.00 1.53 H new ATOM 0 HB3 ALA A 42 -3.091 29.020 22.171 1.00 1.53 H new ATOM 18 N MET A 43 -0.032 28.478 19.420 1.00 33.32 N ATOM 19 CA MET A 43 1.173 29.240 19.073 1.00 43.43 C ATOM 20 C MET A 43 1.240 29.612 17.583 1.00 5.44 C ATOM 21 O MET A 43 2.220 30.220 17.160 1.00 50.12 O ATOM 22 CB MET A 43 2.437 28.508 19.566 1.00 3.25 C ATOM 23 CG MET A 43 2.889 27.378 18.638 1.00 75.33 C ATOM 24 SD MET A 43 4.385 26.512 19.167 1.00 73.44 S ATOM 25 CE MET A 43 4.858 25.785 17.571 1.00 22.43 C ATOM 0 H MET A 43 -0.072 27.558 18.980 1.00 33.32 H new ATOM 0 HA MET A 43 1.119 30.194 19.597 1.00 43.43 H new ATOM 0 HB2 MET A 43 3.248 29.229 19.669 1.00 3.25 H new ATOM 0 HB3 MET A 43 2.246 28.099 20.558 1.00 3.25 H new ATOM 0 HG2 MET A 43 2.079 26.654 18.550 1.00 75.33 H new ATOM 0 HG3 MET A 43 3.058 27.790 17.643 1.00 75.33 H new ATOM 0 HE1 MET A 43 5.650 25.053 17.725 1.00 22.43 H new ATOM 0 HE2 MET A 43 3.993 25.295 17.124 1.00 22.43 H new ATOM 0 HE3 MET A 43 5.215 26.571 16.905 1.00 22.43 H new ATOM 35 N GLY A 44 0.229 29.222 16.796 1.00 24.43 N ATOM 36 CA GLY A 44 0.102 29.479 15.364 1.00 13.35 C ATOM 37 C GLY A 44 1.386 29.289 14.548 1.00 12.44 C ATOM 38 O GLY A 44 1.828 30.250 13.925 1.00 52.44 O ATOM 0 H GLY A 44 -0.561 28.692 17.164 1.00 24.43 H new ATOM 0 HA2 GLY A 44 -0.666 28.820 14.960 1.00 13.35 H new ATOM 0 HA3 GLY A 44 -0.249 30.501 15.225 1.00 13.35 H new ATOM 42 N PRO A 45 1.965 28.076 14.473 1.00 2.42 N ATOM 43 CA PRO A 45 3.197 27.819 13.722 1.00 32.20 C ATOM 44 C PRO A 45 3.085 28.108 12.220 1.00 13.21 C ATOM 45 O PRO A 45 4.096 28.390 11.566 1.00 31.12 O ATOM 46 CB PRO A 45 3.552 26.358 13.996 1.00 35.31 C ATOM 47 CG PRO A 45 2.237 25.735 14.453 1.00 51.10 C ATOM 48 CD PRO A 45 1.517 26.876 15.153 1.00 74.22 C ATOM 0 HA PRO A 45 3.981 28.500 14.053 1.00 32.20 H new ATOM 0 HB2 PRO A 45 3.936 25.867 13.102 1.00 35.31 H new ATOM 0 HB3 PRO A 45 4.322 26.272 14.763 1.00 35.31 H new ATOM 0 HG2 PRO A 45 1.660 25.356 13.610 1.00 51.10 H new ATOM 0 HG3 PRO A 45 2.406 24.895 15.127 1.00 51.10 H new ATOM 0 HD2 PRO A 45 0.435 26.763 15.082 1.00 74.22 H new ATOM 0 HD3 PRO A 45 1.765 26.908 16.214 1.00 74.22 H new ATOM 56 N GLN A 46 1.880 28.021 11.650 1.00 1.23 N ATOM 57 CA GLN A 46 1.657 28.307 10.237 1.00 74.22 C ATOM 58 C GLN A 46 1.516 29.822 10.021 1.00 23.53 C ATOM 59 O GLN A 46 1.612 30.279 8.886 1.00 72.44 O ATOM 60 CB GLN A 46 0.379 27.586 9.777 1.00 64.43 C ATOM 61 CG GLN A 46 0.159 27.531 8.251 1.00 65.02 C ATOM 62 CD GLN A 46 1.114 26.597 7.498 1.00 51.41 C ATOM 63 OE1 GLN A 46 1.833 25.779 8.076 1.00 11.21 O ATOM 64 NE2 GLN A 46 1.102 26.635 6.174 1.00 12.11 N ATOM 0 H GLN A 46 1.037 27.751 12.156 1.00 1.23 H new ATOM 0 HA GLN A 46 2.507 27.953 9.653 1.00 74.22 H new ATOM 0 HB2 GLN A 46 0.401 26.566 10.160 1.00 64.43 H new ATOM 0 HB3 GLN A 46 -0.479 28.080 10.233 1.00 64.43 H new ATOM 0 HG2 GLN A 46 -0.866 27.214 8.057 1.00 65.02 H new ATOM 0 HG3 GLN A 46 0.263 28.538 7.846 1.00 65.02 H new ATOM 0 HE21 GLN A 46 0.510 27.309 5.688 1.00 12.11 H new ATOM 0 HE22 GLN A 46 1.685 25.990 5.640 1.00 12.11 H new ATOM 73 N GLY A 47 1.297 30.614 11.075 1.00 1.21 N ATOM 74 CA GLY A 47 1.115 32.048 10.967 1.00 64.15 C ATOM 75 C GLY A 47 -0.268 32.261 10.359 1.00 44.22 C ATOM 76 O GLY A 47 -1.268 32.075 11.060 1.00 2.12 O ATOM 0 H GLY A 47 1.242 30.266 12.032 1.00 1.21 H new ATOM 0 HA2 GLY A 47 1.187 32.524 11.945 1.00 64.15 H new ATOM 0 HA3 GLY A 47 1.888 32.492 10.339 1.00 64.15 H new ATOM 80 N SER A 48 -0.348 32.592 9.071 1.00 33.25 N ATOM 81 CA SER A 48 -1.599 32.812 8.352 1.00 33.43 C ATOM 82 C SER A 48 -1.747 31.768 7.241 1.00 54.31 C ATOM 83 O SER A 48 -0.768 31.161 6.794 1.00 65.45 O ATOM 84 CB SER A 48 -1.615 34.244 7.796 1.00 0.02 C ATOM 85 OG SER A 48 -2.903 34.595 7.322 1.00 74.33 O ATOM 0 H SER A 48 0.477 32.717 8.485 1.00 33.25 H new ATOM 0 HA SER A 48 -2.449 32.699 9.026 1.00 33.43 H new ATOM 0 HB2 SER A 48 -1.308 34.943 8.574 1.00 0.02 H new ATOM 0 HB3 SER A 48 -0.890 34.331 6.986 1.00 0.02 H new ATOM 0 HG SER A 48 -2.885 35.511 6.975 1.00 74.33 H new ATOM 91 N THR A 49 -2.978 31.588 6.759 1.00 42.24 N ATOM 92 CA THR A 49 -3.376 30.671 5.692 1.00 43.04 C ATOM 93 C THR A 49 -3.000 31.269 4.320 1.00 63.44 C ATOM 94 O THR A 49 -3.829 31.426 3.420 1.00 45.54 O ATOM 95 CB THR A 49 -4.879 30.359 5.855 1.00 25.35 C ATOM 96 OG1 THR A 49 -5.613 31.535 6.169 1.00 45.30 O ATOM 97 CG2 THR A 49 -5.106 29.346 6.984 1.00 5.53 C ATOM 0 H THR A 49 -3.772 32.112 7.127 1.00 42.24 H new ATOM 0 HA THR A 49 -2.842 29.723 5.755 1.00 43.04 H new ATOM 0 HB THR A 49 -5.224 29.948 4.906 1.00 25.35 H new ATOM 0 HG1 THR A 49 -6.562 31.312 6.266 1.00 45.30 H new ATOM 0 HG21 THR A 49 -6.172 29.142 7.080 1.00 5.53 H new ATOM 0 HG22 THR A 49 -4.578 28.420 6.754 1.00 5.53 H new ATOM 0 HG23 THR A 49 -4.729 29.755 7.921 1.00 5.53 H new ATOM 105 N GLN A 50 -1.741 31.683 4.193 1.00 14.04 N ATOM 106 CA GLN A 50 -1.140 32.270 3.012 1.00 24.00 C ATOM 107 C GLN A 50 -0.911 31.201 1.946 1.00 24.24 C ATOM 108 O GLN A 50 -0.822 30.012 2.266 1.00 44.34 O ATOM 109 CB GLN A 50 0.208 32.874 3.441 1.00 73.41 C ATOM 110 CG GLN A 50 0.061 34.330 3.899 1.00 52.23 C ATOM 111 CD GLN A 50 -0.156 35.223 2.683 1.00 61.01 C ATOM 112 OE1 GLN A 50 0.770 35.408 1.899 1.00 54.54 O ATOM 113 NE2 GLN A 50 -1.359 35.724 2.465 1.00 34.53 N ATOM 0 H GLN A 50 -1.077 31.610 4.964 1.00 14.04 H new ATOM 0 HA GLN A 50 -1.794 33.032 2.589 1.00 24.00 H new ATOM 0 HB2 GLN A 50 0.631 32.279 4.251 1.00 73.41 H new ATOM 0 HB3 GLN A 50 0.910 32.824 2.608 1.00 73.41 H new ATOM 0 HG2 GLN A 50 -0.779 34.423 4.587 1.00 52.23 H new ATOM 0 HG3 GLN A 50 0.953 34.644 4.440 1.00 52.23 H new ATOM 0 HE21 GLN A 50 -2.111 35.555 3.133 1.00 34.53 H new ATOM 0 HE22 GLN A 50 -1.536 36.280 1.628 1.00 34.53 H new ATOM 122 N ASN A 51 -0.770 31.639 0.693 1.00 45.34 N ATOM 123 CA ASN A 51 -0.530 30.751 -0.433 1.00 22.53 C ATOM 124 C ASN A 51 0.823 30.083 -0.238 1.00 20.12 C ATOM 125 O ASN A 51 1.835 30.769 -0.067 1.00 72.14 O ATOM 126 CB ASN A 51 -0.541 31.503 -1.770 1.00 1.33 C ATOM 127 CG ASN A 51 -0.251 30.534 -2.911 1.00 55.13 C ATOM 128 OD1 ASN A 51 -1.165 29.910 -3.438 1.00 30.20 O ATOM 129 ND2 ASN A 51 1.001 30.347 -3.286 1.00 53.40 N ATOM 0 H ASN A 51 -0.820 32.625 0.436 1.00 45.34 H new ATOM 0 HA ASN A 51 -1.331 30.012 -0.468 1.00 22.53 H new ATOM 0 HB2 ASN A 51 -1.510 31.978 -1.922 1.00 1.33 H new ATOM 0 HB3 ASN A 51 0.205 32.297 -1.757 1.00 1.33 H new ATOM 0 HD21 ASN A 51 1.218 29.676 -4.023 1.00 53.40 H new ATOM 0 HD22 ASN A 51 1.751 30.873 -2.839 1.00 53.40 H new ATOM 136 N ALA A 52 0.837 28.758 -0.250 1.00 12.20 N ATOM 137 CA ALA A 52 2.020 27.934 -0.101 1.00 51.13 C ATOM 138 C ALA A 52 1.780 26.658 -0.899 1.00 0.02 C ATOM 139 O ALA A 52 0.631 26.336 -1.212 1.00 21.42 O ATOM 140 CB ALA A 52 2.236 27.607 1.381 1.00 5.22 C ATOM 0 H ALA A 52 -0.014 28.208 -0.369 1.00 12.20 H new ATOM 0 HA ALA A 52 2.909 28.449 -0.464 1.00 51.13 H new ATOM 0 HB1 ALA A 52 3.126 26.987 1.491 1.00 5.22 H new ATOM 0 HB2 ALA A 52 2.366 28.532 1.942 1.00 5.22 H new ATOM 0 HB3 ALA A 52 1.369 27.069 1.765 1.00 5.22 H new ATOM 146 N LEU A 53 2.832 25.905 -1.211 1.00 73.30 N ATOM 147 CA LEU A 53 2.721 24.652 -1.956 1.00 11.23 C ATOM 148 C LEU A 53 3.748 23.671 -1.406 1.00 60.13 C ATOM 149 O LEU A 53 4.676 24.057 -0.687 1.00 51.12 O ATOM 150 CB LEU A 53 2.897 24.901 -3.468 1.00 41.41 C ATOM 151 CG LEU A 53 1.854 24.235 -4.390 1.00 51.45 C ATOM 152 CD1 LEU A 53 1.882 22.704 -4.343 1.00 45.43 C ATOM 153 CD2 LEU A 53 0.430 24.739 -4.129 1.00 11.54 C ATOM 0 H LEU A 53 3.789 26.147 -0.954 1.00 73.30 H new ATOM 0 HA LEU A 53 1.727 24.222 -1.830 1.00 11.23 H new ATOM 0 HB2 LEU A 53 2.874 25.976 -3.644 1.00 41.41 H new ATOM 0 HB3 LEU A 53 3.887 24.551 -3.761 1.00 41.41 H new ATOM 0 HG LEU A 53 2.150 24.536 -5.395 1.00 51.45 H new ATOM 0 HD11 LEU A 53 1.123 22.305 -5.016 1.00 45.43 H new ATOM 0 HD12 LEU A 53 2.864 22.348 -4.654 1.00 45.43 H new ATOM 0 HD13 LEU A 53 1.679 22.367 -3.326 1.00 45.43 H new ATOM 0 HD21 LEU A 53 -0.263 24.238 -4.805 1.00 11.54 H new ATOM 0 HD22 LEU A 53 0.151 24.523 -3.098 1.00 11.54 H new ATOM 0 HD23 LEU A 53 0.388 25.815 -4.299 1.00 11.54 H new ATOM 165 N ARG A 54 3.575 22.386 -1.705 1.00 14.05 N ATOM 166 CA ARG A 54 4.475 21.343 -1.244 1.00 65.12 C ATOM 167 C ARG A 54 5.796 21.454 -1.988 1.00 33.34 C ATOM 168 O ARG A 54 5.817 21.450 -3.221 1.00 72.35 O ATOM 169 CB ARG A 54 3.823 19.971 -1.446 1.00 43.05 C ATOM 170 CG ARG A 54 4.539 18.881 -0.635 1.00 22.15 C ATOM 171 CD ARG A 54 3.772 17.557 -0.621 1.00 34.20 C ATOM 172 NE ARG A 54 3.593 17.007 -1.968 1.00 64.32 N ATOM 173 CZ ARG A 54 2.796 15.988 -2.296 1.00 5.42 C ATOM 174 NH1 ARG A 54 2.075 15.336 -1.393 1.00 42.44 N ATOM 175 NH2 ARG A 54 2.727 15.621 -3.563 1.00 71.24 N ATOM 0 H ARG A 54 2.803 22.042 -2.276 1.00 14.05 H new ATOM 0 HA ARG A 54 4.675 21.461 -0.179 1.00 65.12 H new ATOM 0 HB2 ARG A 54 2.775 20.018 -1.149 1.00 43.05 H new ATOM 0 HB3 ARG A 54 3.843 19.710 -2.504 1.00 43.05 H new ATOM 0 HG2 ARG A 54 5.532 18.717 -1.052 1.00 22.15 H new ATOM 0 HG3 ARG A 54 4.677 19.227 0.389 1.00 22.15 H new ATOM 0 HD2 ARG A 54 4.307 16.835 -0.004 1.00 34.20 H new ATOM 0 HD3 ARG A 54 2.796 17.709 -0.160 1.00 34.20 H new ATOM 0 HE ARG A 54 4.125 17.442 -2.722 1.00 64.32 H new ATOM 0 HH11 ARG A 54 2.119 15.609 -0.411 1.00 42.44 H new ATOM 0 HH12 ARG A 54 1.477 14.562 -1.681 1.00 42.44 H new ATOM 0 HH21 ARG A 54 3.276 16.114 -4.267 1.00 71.24 H new ATOM 0 HH22 ARG A 54 2.125 14.845 -3.837 1.00 71.24 H new ATOM 189 N ARG A 55 6.882 21.619 -1.233 1.00 5.14 N ATOM 190 CA ARG A 55 8.230 21.713 -1.781 1.00 40.03 C ATOM 191 C ARG A 55 8.537 20.348 -2.402 1.00 23.12 C ATOM 192 O ARG A 55 8.038 19.337 -1.904 1.00 15.44 O ATOM 193 CB ARG A 55 9.235 22.023 -0.652 1.00 3.23 C ATOM 194 CG ARG A 55 9.309 23.491 -0.198 1.00 4.34 C ATOM 195 CD ARG A 55 8.129 24.009 0.640 1.00 1.34 C ATOM 196 NE ARG A 55 8.149 23.525 2.035 1.00 11.20 N ATOM 197 CZ ARG A 55 8.525 24.211 3.122 1.00 51.24 C ATOM 198 NH1 ARG A 55 9.160 25.374 3.031 1.00 2.04 N ATOM 199 NH2 ARG A 55 8.264 23.724 4.326 1.00 52.32 N ATOM 0 H ARG A 55 6.848 21.691 -0.216 1.00 5.14 H new ATOM 0 HA ARG A 55 8.307 22.510 -2.521 1.00 40.03 H new ATOM 0 HB2 ARG A 55 8.981 21.409 0.212 1.00 3.23 H new ATOM 0 HB3 ARG A 55 10.227 21.715 -0.981 1.00 3.23 H new ATOM 0 HG2 ARG A 55 10.223 23.624 0.381 1.00 4.34 H new ATOM 0 HG3 ARG A 55 9.399 24.118 -1.085 1.00 4.34 H new ATOM 0 HD2 ARG A 55 8.143 25.099 0.640 1.00 1.34 H new ATOM 0 HD3 ARG A 55 7.195 23.702 0.169 1.00 1.34 H new ATOM 0 HE ARG A 55 7.843 22.564 2.187 1.00 11.20 H new ATOM 0 HH11 ARG A 55 9.374 25.768 2.115 1.00 2.04 H new ATOM 0 HH12 ARG A 55 9.434 25.873 3.877 1.00 2.04 H new ATOM 0 HH21 ARG A 55 7.779 22.832 4.421 1.00 52.32 H new ATOM 0 HH22 ARG A 55 8.548 24.241 5.158 1.00 52.32 H new ATOM 213 N THR A 56 9.384 20.284 -3.426 1.00 23.53 N ATOM 214 CA THR A 56 9.739 19.027 -4.078 1.00 14.02 C ATOM 215 C THR A 56 11.260 18.972 -4.139 1.00 31.21 C ATOM 216 O THR A 56 11.879 19.749 -4.867 1.00 25.22 O ATOM 217 CB THR A 56 9.071 18.914 -5.463 1.00 35.45 C ATOM 218 OG1 THR A 56 7.780 19.491 -5.464 1.00 45.44 O ATOM 219 CG2 THR A 56 8.949 17.458 -5.915 1.00 74.02 C ATOM 0 H THR A 56 9.843 21.102 -3.827 1.00 23.53 H new ATOM 0 HA THR A 56 9.371 18.168 -3.516 1.00 14.02 H new ATOM 0 HB THR A 56 9.715 19.456 -6.156 1.00 35.45 H new ATOM 0 HG1 THR A 56 7.384 19.405 -6.356 1.00 45.44 H new ATOM 0 HG21 THR A 56 8.473 17.420 -6.895 1.00 74.02 H new ATOM 0 HG22 THR A 56 9.941 17.011 -5.976 1.00 74.02 H new ATOM 0 HG23 THR A 56 8.345 16.903 -5.197 1.00 74.02 H new ATOM 227 N GLY A 57 11.864 18.083 -3.357 1.00 63.42 N ATOM 228 CA GLY A 57 13.309 17.917 -3.295 1.00 60.43 C ATOM 229 C GLY A 57 13.690 16.831 -2.309 1.00 4.40 C ATOM 230 O GLY A 57 14.596 17.010 -1.501 1.00 23.34 O ATOM 0 H GLY A 57 11.355 17.450 -2.741 1.00 63.42 H new ATOM 0 HA2 GLY A 57 13.692 17.666 -4.284 1.00 60.43 H new ATOM 0 HA3 GLY A 57 13.774 18.858 -3.002 1.00 60.43 H new ATOM 234 N ARG A 58 12.941 15.732 -2.315 1.00 23.22 N ATOM 235 CA ARG A 58 13.142 14.580 -1.454 1.00 71.14 C ATOM 236 C ARG A 58 13.260 13.323 -2.319 1.00 15.12 C ATOM 237 O ARG A 58 13.065 13.379 -3.541 1.00 12.04 O ATOM 238 CB ARG A 58 12.005 14.491 -0.420 1.00 51.51 C ATOM 239 CG ARG A 58 12.001 15.623 0.630 1.00 53.40 C ATOM 240 CD ARG A 58 10.988 16.750 0.371 1.00 30.44 C ATOM 241 NE ARG A 58 9.604 16.265 0.500 1.00 12.33 N ATOM 242 CZ ARG A 58 8.527 16.928 0.937 1.00 43.14 C ATOM 243 NH1 ARG A 58 8.570 18.198 1.314 1.00 63.55 N ATOM 244 NH2 ARG A 58 7.380 16.276 1.002 1.00 41.33 N ATOM 0 H ARG A 58 12.148 15.619 -2.946 1.00 23.22 H new ATOM 0 HA ARG A 58 14.069 14.680 -0.890 1.00 71.14 H new ATOM 0 HB2 ARG A 58 11.051 14.499 -0.947 1.00 51.51 H new ATOM 0 HB3 ARG A 58 12.076 13.534 0.097 1.00 51.51 H new ATOM 0 HG2 ARG A 58 11.796 15.189 1.609 1.00 53.40 H new ATOM 0 HG3 ARG A 58 13.000 16.057 0.677 1.00 53.40 H new ATOM 0 HD2 ARG A 58 11.158 17.564 1.076 1.00 30.44 H new ATOM 0 HD3 ARG A 58 11.141 17.157 -0.628 1.00 30.44 H new ATOM 0 HE ARG A 58 9.445 15.297 0.220 1.00 12.33 H new ATOM 0 HH11 ARG A 58 9.451 18.711 1.278 1.00 63.55 H new ATOM 0 HH12 ARG A 58 7.722 18.662 1.640 1.00 63.55 H new ATOM 0 HH21 ARG A 58 7.334 15.296 0.723 1.00 41.33 H new ATOM 0 HH22 ARG A 58 6.540 16.753 1.331 1.00 41.33 H new ATOM 258 N VAL A 59 13.567 12.210 -1.652 1.00 43.54 N ATOM 259 CA VAL A 59 13.766 10.861 -2.175 1.00 64.12 C ATOM 260 C VAL A 59 12.666 10.451 -3.158 1.00 11.22 C ATOM 261 O VAL A 59 11.560 10.991 -3.126 1.00 1.24 O ATOM 262 CB VAL A 59 13.844 9.874 -0.979 1.00 51.40 C ATOM 263 CG1 VAL A 59 14.441 8.515 -1.369 1.00 14.22 C ATOM 264 CG2 VAL A 59 14.698 10.414 0.183 1.00 35.25 C ATOM 0 H VAL A 59 13.694 12.234 -0.640 1.00 43.54 H new ATOM 0 HA VAL A 59 14.699 10.838 -2.739 1.00 64.12 H new ATOM 0 HB VAL A 59 12.807 9.757 -0.666 1.00 51.40 H new ATOM 0 HG11 VAL A 59 14.471 7.866 -0.494 1.00 14.22 H new ATOM 0 HG12 VAL A 59 13.824 8.055 -2.141 1.00 14.22 H new ATOM 0 HG13 VAL A 59 15.452 8.658 -1.750 1.00 14.22 H new ATOM 0 HG21 VAL A 59 14.717 9.683 0.991 1.00 35.25 H new ATOM 0 HG22 VAL A 59 15.714 10.596 -0.166 1.00 35.25 H new ATOM 0 HG23 VAL A 59 14.268 11.347 0.548 1.00 35.25 H new ATOM 274 N ASN A 60 12.977 9.505 -4.045 1.00 33.01 N ATOM 275 CA ASN A 60 12.058 8.961 -5.040 1.00 20.24 C ATOM 276 C ASN A 60 11.047 8.039 -4.340 1.00 55.23 C ATOM 277 O ASN A 60 11.015 7.931 -3.108 1.00 12.14 O ATOM 278 CB ASN A 60 12.845 8.156 -6.099 1.00 44.43 C ATOM 279 CG ASN A 60 13.926 8.938 -6.829 1.00 35.13 C ATOM 280 OD1 ASN A 60 15.025 8.446 -7.050 1.00 42.42 O ATOM 281 ND2 ASN A 60 13.643 10.158 -7.239 1.00 74.10 N ATOM 0 H ASN A 60 13.905 9.084 -4.090 1.00 33.01 H new ATOM 0 HA ASN A 60 11.532 9.778 -5.534 1.00 20.24 H new ATOM 0 HB2 ASN A 60 13.306 7.297 -5.612 1.00 44.43 H new ATOM 0 HB3 ASN A 60 12.141 7.766 -6.834 1.00 44.43 H new ATOM 0 HD21 ASN A 60 14.342 10.701 -7.745 1.00 74.10 H new ATOM 0 HD22 ASN A 60 12.724 10.559 -7.050 1.00 74.10 H new ATOM 288 N GLY A 61 10.234 7.335 -5.127 1.00 65.12 N ATOM 289 CA GLY A 61 9.232 6.393 -4.662 1.00 72.14 C ATOM 290 C GLY A 61 9.582 5.011 -5.204 1.00 10.33 C ATOM 291 O GLY A 61 8.789 4.444 -5.957 1.00 15.25 O ATOM 0 H GLY A 61 10.261 7.412 -6.144 1.00 65.12 H new ATOM 0 HA2 GLY A 61 9.203 6.377 -3.572 1.00 72.14 H new ATOM 0 HA3 GLY A 61 8.241 6.694 -5.003 1.00 72.14 H new ATOM 295 N GLY A 62 10.765 4.491 -4.871 1.00 14.21 N ATOM 296 CA GLY A 62 11.242 3.192 -5.315 1.00 61.03 C ATOM 297 C GLY A 62 12.042 2.517 -4.211 1.00 21.34 C ATOM 298 O GLY A 62 13.260 2.674 -4.132 1.00 31.31 O ATOM 0 H GLY A 62 11.430 4.978 -4.270 1.00 14.21 H new ATOM 0 HA2 GLY A 62 10.397 2.564 -5.597 1.00 61.03 H new ATOM 0 HA3 GLY A 62 11.863 3.309 -6.203 1.00 61.03 H new ATOM 302 N HIS A 63 11.354 1.778 -3.343 1.00 12.51 N ATOM 303 CA HIS A 63 11.925 1.040 -2.225 1.00 4.31 C ATOM 304 C HIS A 63 11.561 -0.445 -2.368 1.00 61.22 C ATOM 305 O HIS A 63 10.546 -0.756 -3.004 1.00 30.01 O ATOM 306 CB HIS A 63 11.381 1.620 -0.914 1.00 32.30 C ATOM 307 CG HIS A 63 11.798 3.043 -0.654 1.00 63.51 C ATOM 308 ND1 HIS A 63 13.038 3.455 -0.208 1.00 43.32 N ATOM 309 CD2 HIS A 63 11.010 4.152 -0.801 1.00 51.10 C ATOM 310 CE1 HIS A 63 12.993 4.791 -0.081 1.00 42.00 C ATOM 311 NE2 HIS A 63 11.786 5.260 -0.447 1.00 1.05 N ATOM 0 H HIS A 63 10.341 1.675 -3.405 1.00 12.51 H new ATOM 0 HA HIS A 63 13.011 1.130 -2.219 1.00 4.31 H new ATOM 0 HB2 HIS A 63 10.292 1.568 -0.930 1.00 32.30 H new ATOM 0 HB3 HIS A 63 11.717 0.997 -0.086 1.00 32.30 H new ATOM 0 HD2 HIS A 63 9.981 4.168 -1.129 1.00 51.10 H new ATOM 0 HE1 HIS A 63 13.812 5.404 0.267 1.00 42.00 H new ATOM 0 HE2 HIS A 63 11.493 6.237 -0.463 1.00 1.05 H new ATOM 319 N PRO A 64 12.341 -1.372 -1.783 1.00 43.02 N ATOM 320 CA PRO A 64 12.081 -2.800 -1.856 1.00 44.00 C ATOM 321 C PRO A 64 10.967 -3.176 -0.879 1.00 43.11 C ATOM 322 O PRO A 64 10.962 -2.750 0.281 1.00 42.41 O ATOM 323 CB PRO A 64 13.404 -3.466 -1.464 1.00 34.55 C ATOM 324 CG PRO A 64 14.003 -2.473 -0.470 1.00 24.52 C ATOM 325 CD PRO A 64 13.558 -1.126 -1.029 1.00 63.32 C ATOM 0 HA PRO A 64 11.752 -3.116 -2.846 1.00 44.00 H new ATOM 0 HB2 PRO A 64 13.245 -4.445 -1.012 1.00 34.55 H new ATOM 0 HB3 PRO A 64 14.053 -3.615 -2.327 1.00 34.55 H new ATOM 0 HG2 PRO A 64 13.628 -2.636 0.540 1.00 24.52 H new ATOM 0 HG3 PRO A 64 15.089 -2.553 -0.423 1.00 24.52 H new ATOM 0 HD2 PRO A 64 13.378 -0.413 -0.225 1.00 63.32 H new ATOM 0 HD3 PRO A 64 14.330 -0.697 -1.668 1.00 63.32 H new ATOM 333 N VAL A 65 10.037 -4.022 -1.310 1.00 13.12 N ATOM 334 CA VAL A 65 8.925 -4.461 -0.468 1.00 12.50 C ATOM 335 C VAL A 65 8.831 -5.983 -0.461 1.00 54.25 C ATOM 336 O VAL A 65 9.393 -6.667 -1.323 1.00 31.31 O ATOM 337 CB VAL A 65 7.621 -3.719 -0.825 1.00 64.20 C ATOM 338 CG1 VAL A 65 7.834 -2.202 -0.771 1.00 63.11 C ATOM 339 CG2 VAL A 65 7.042 -4.083 -2.192 1.00 42.11 C ATOM 0 H VAL A 65 10.031 -4.422 -2.248 1.00 13.12 H new ATOM 0 HA VAL A 65 9.114 -4.181 0.568 1.00 12.50 H new ATOM 0 HB VAL A 65 6.898 -4.042 -0.076 1.00 64.20 H new ATOM 0 HG11 VAL A 65 6.904 -1.695 -1.026 1.00 63.11 H new ATOM 0 HG12 VAL A 65 8.141 -1.913 0.234 1.00 63.11 H new ATOM 0 HG13 VAL A 65 8.609 -1.918 -1.483 1.00 63.11 H new ATOM 0 HG21 VAL A 65 6.127 -3.516 -2.362 1.00 42.11 H new ATOM 0 HG22 VAL A 65 7.767 -3.843 -2.970 1.00 42.11 H new ATOM 0 HG23 VAL A 65 6.819 -5.150 -2.220 1.00 42.11 H new ATOM 349 N THR A 66 8.191 -6.518 0.574 1.00 3.13 N ATOM 350 CA THR A 66 7.993 -7.941 0.787 1.00 34.33 C ATOM 351 C THR A 66 6.508 -8.242 0.974 1.00 25.24 C ATOM 352 O THR A 66 5.732 -7.349 1.323 1.00 1.53 O ATOM 353 CB THR A 66 8.876 -8.392 1.969 1.00 2.11 C ATOM 354 OG1 THR A 66 8.995 -7.387 2.962 1.00 74.13 O ATOM 355 CG2 THR A 66 10.287 -8.709 1.464 1.00 35.05 C ATOM 0 H THR A 66 7.782 -5.947 1.314 1.00 3.13 H new ATOM 0 HA THR A 66 8.303 -8.517 -0.085 1.00 34.33 H new ATOM 0 HB THR A 66 8.398 -9.269 2.406 1.00 2.11 H new ATOM 0 HG1 THR A 66 9.561 -7.714 3.692 1.00 74.13 H new ATOM 0 HG21 THR A 66 10.910 -9.027 2.300 1.00 35.05 H new ATOM 0 HG22 THR A 66 10.238 -9.507 0.724 1.00 35.05 H new ATOM 0 HG23 THR A 66 10.719 -7.818 1.009 1.00 35.05 H new ATOM 363 N THR A 67 6.131 -9.514 0.839 1.00 43.21 N ATOM 364 CA THR A 67 4.769 -10.016 0.965 1.00 53.01 C ATOM 365 C THR A 67 4.120 -9.499 2.253 1.00 11.20 C ATOM 366 O THR A 67 2.995 -9.001 2.220 1.00 22.10 O ATOM 367 CB THR A 67 4.852 -11.557 0.887 1.00 40.20 C ATOM 368 OG1 THR A 67 5.467 -11.914 -0.337 1.00 53.31 O ATOM 369 CG2 THR A 67 3.522 -12.303 0.973 1.00 33.01 C ATOM 0 H THR A 67 6.801 -10.254 0.629 1.00 43.21 H new ATOM 0 HA THR A 67 4.125 -9.656 0.163 1.00 53.01 H new ATOM 0 HB THR A 67 5.421 -11.855 1.767 1.00 40.20 H new ATOM 0 HG1 THR A 67 5.528 -12.890 -0.400 1.00 53.31 H new ATOM 0 HG21 THR A 67 3.702 -13.376 0.908 1.00 33.01 H new ATOM 0 HG22 THR A 67 3.037 -12.073 1.922 1.00 33.01 H new ATOM 0 HG23 THR A 67 2.877 -11.993 0.151 1.00 33.01 H new ATOM 377 N GLN A 68 4.864 -9.574 3.360 1.00 23.11 N ATOM 378 CA GLN A 68 4.467 -9.157 4.701 1.00 31.01 C ATOM 379 C GLN A 68 4.006 -7.700 4.755 1.00 24.14 C ATOM 380 O GLN A 68 3.120 -7.355 5.531 1.00 22.13 O ATOM 381 CB GLN A 68 5.648 -9.401 5.667 1.00 53.11 C ATOM 382 CG GLN A 68 6.896 -8.534 5.355 1.00 11.31 C ATOM 383 CD GLN A 68 8.246 -9.232 5.531 1.00 13.24 C ATOM 384 OE1 GLN A 68 9.188 -8.661 6.068 1.00 74.32 O ATOM 385 NE2 GLN A 68 8.398 -10.430 4.988 1.00 43.13 N ATOM 0 H GLN A 68 5.812 -9.949 3.340 1.00 23.11 H new ATOM 0 HA GLN A 68 3.606 -9.753 5.004 1.00 31.01 H new ATOM 0 HB2 GLN A 68 5.320 -9.197 6.686 1.00 53.11 H new ATOM 0 HB3 GLN A 68 5.928 -10.454 5.626 1.00 53.11 H new ATOM 0 HG2 GLN A 68 6.822 -8.179 4.327 1.00 11.31 H new ATOM 0 HG3 GLN A 68 6.875 -7.654 5.998 1.00 11.31 H new ATOM 0 HE21 GLN A 68 7.605 -10.893 4.544 1.00 43.13 H new ATOM 0 HE22 GLN A 68 9.308 -10.890 5.013 1.00 43.13 H new ATOM 394 N MET A 69 4.619 -6.812 3.977 1.00 11.12 N ATOM 395 CA MET A 69 4.230 -5.412 3.986 1.00 71.41 C ATOM 396 C MET A 69 2.834 -5.273 3.376 1.00 25.21 C ATOM 397 O MET A 69 1.980 -4.574 3.926 1.00 12.43 O ATOM 398 CB MET A 69 5.283 -4.590 3.238 1.00 32.41 C ATOM 399 CG MET A 69 6.643 -4.595 3.940 1.00 42.44 C ATOM 400 SD MET A 69 7.943 -3.771 2.986 1.00 61.20 S ATOM 401 CE MET A 69 7.523 -2.030 3.276 1.00 63.40 C ATOM 0 H MET A 69 5.381 -7.038 3.338 1.00 11.12 H new ATOM 0 HA MET A 69 4.181 -5.029 5.005 1.00 71.41 H new ATOM 0 HB2 MET A 69 5.398 -4.986 2.229 1.00 32.41 H new ATOM 0 HB3 MET A 69 4.933 -3.562 3.139 1.00 32.41 H new ATOM 0 HG2 MET A 69 6.546 -4.105 4.909 1.00 42.44 H new ATOM 0 HG3 MET A 69 6.941 -5.626 4.133 1.00 42.44 H new ATOM 0 HE1 MET A 69 7.296 -1.547 2.325 1.00 63.40 H new ATOM 0 HE2 MET A 69 6.654 -1.970 3.931 1.00 63.40 H new ATOM 0 HE3 MET A 69 8.367 -1.526 3.746 1.00 63.40 H new ATOM 411 N VAL A 70 2.604 -5.959 2.252 1.00 64.01 N ATOM 412 CA VAL A 70 1.343 -5.934 1.527 1.00 53.43 C ATOM 413 C VAL A 70 0.205 -6.456 2.400 1.00 61.05 C ATOM 414 O VAL A 70 -0.822 -5.790 2.516 1.00 71.12 O ATOM 415 CB VAL A 70 1.451 -6.705 0.193 1.00 30.00 C ATOM 416 CG1 VAL A 70 0.220 -6.501 -0.688 1.00 72.02 C ATOM 417 CG2 VAL A 70 2.730 -6.414 -0.601 1.00 41.01 C ATOM 0 H VAL A 70 3.307 -6.557 1.817 1.00 64.01 H new ATOM 0 HA VAL A 70 1.112 -4.898 1.278 1.00 53.43 H new ATOM 0 HB VAL A 70 1.504 -7.753 0.487 1.00 30.00 H new ATOM 0 HG11 VAL A 70 0.339 -7.061 -1.615 1.00 72.02 H new ATOM 0 HG12 VAL A 70 -0.667 -6.855 -0.162 1.00 72.02 H new ATOM 0 HG13 VAL A 70 0.108 -5.441 -0.916 1.00 72.02 H new ATOM 0 HG21 VAL A 70 2.726 -6.995 -1.523 1.00 41.01 H new ATOM 0 HG22 VAL A 70 2.775 -5.352 -0.842 1.00 41.01 H new ATOM 0 HG23 VAL A 70 3.599 -6.688 -0.003 1.00 41.01 H new ATOM 427 N GLU A 71 0.368 -7.636 3.002 1.00 61.21 N ATOM 428 CA GLU A 71 -0.671 -8.215 3.842 1.00 5.23 C ATOM 429 C GLU A 71 -0.959 -7.306 5.030 1.00 55.12 C ATOM 430 O GLU A 71 -2.131 -7.097 5.303 1.00 21.12 O ATOM 431 CB GLU A 71 -0.388 -9.660 4.284 1.00 64.51 C ATOM 432 CG GLU A 71 1.033 -9.885 4.775 1.00 3.13 C ATOM 433 CD GLU A 71 1.213 -11.078 5.715 1.00 13.45 C ATOM 434 OE1 GLU A 71 0.445 -11.229 6.695 1.00 24.31 O ATOM 435 OE2 GLU A 71 2.155 -11.874 5.504 1.00 34.33 O ATOM 0 H GLU A 71 1.210 -8.205 2.921 1.00 61.21 H new ATOM 0 HA GLU A 71 -1.565 -8.284 3.223 1.00 5.23 H new ATOM 0 HB2 GLU A 71 -1.084 -9.930 5.078 1.00 64.51 H new ATOM 0 HB3 GLU A 71 -0.584 -10.331 3.447 1.00 64.51 H new ATOM 0 HG2 GLU A 71 1.682 -10.022 3.910 1.00 3.13 H new ATOM 0 HG3 GLU A 71 1.371 -8.984 5.287 1.00 3.13 H new ATOM 442 N THR A 72 0.037 -6.734 5.716 1.00 50.44 N ATOM 443 CA THR A 72 -0.256 -5.851 6.849 1.00 4.24 C ATOM 444 C THR A 72 -1.142 -4.691 6.387 1.00 62.11 C ATOM 445 O THR A 72 -2.231 -4.536 6.947 1.00 42.22 O ATOM 446 CB THR A 72 1.032 -5.392 7.516 1.00 72.00 C ATOM 447 OG1 THR A 72 1.716 -6.517 8.035 1.00 51.12 O ATOM 448 CG2 THR A 72 0.825 -4.441 8.695 1.00 63.34 C ATOM 0 H THR A 72 1.028 -6.862 5.514 1.00 50.44 H new ATOM 0 HA THR A 72 -0.815 -6.397 7.609 1.00 4.24 H new ATOM 0 HB THR A 72 1.586 -4.865 6.739 1.00 72.00 H new ATOM 0 HG1 THR A 72 2.247 -6.934 7.324 1.00 51.12 H new ATOM 0 HG21 THR A 72 1.793 -4.163 9.112 1.00 63.34 H new ATOM 0 HG22 THR A 72 0.306 -3.545 8.353 1.00 63.34 H new ATOM 0 HG23 THR A 72 0.228 -4.936 9.461 1.00 63.34 H new ATOM 456 N VAL A 73 -0.740 -3.904 5.375 1.00 23.51 N ATOM 457 CA VAL A 73 -1.618 -2.820 4.928 1.00 32.13 C ATOM 458 C VAL A 73 -2.986 -3.399 4.575 1.00 24.13 C ATOM 459 O VAL A 73 -3.977 -2.851 5.025 1.00 10.32 O ATOM 460 CB VAL A 73 -1.085 -2.070 3.700 1.00 74.01 C ATOM 461 CG1 VAL A 73 -2.028 -0.943 3.250 1.00 65.11 C ATOM 462 CG2 VAL A 73 0.288 -1.462 3.939 1.00 13.50 C ATOM 0 H VAL A 73 0.144 -3.992 4.874 1.00 23.51 H new ATOM 0 HA VAL A 73 -1.675 -2.106 5.750 1.00 32.13 H new ATOM 0 HB VAL A 73 -1.017 -2.827 2.919 1.00 74.01 H new ATOM 0 HG11 VAL A 73 -1.607 -0.443 2.378 1.00 65.11 H new ATOM 0 HG12 VAL A 73 -3.000 -1.363 2.993 1.00 65.11 H new ATOM 0 HG13 VAL A 73 -2.147 -0.223 4.060 1.00 65.11 H new ATOM 0 HG21 VAL A 73 0.618 -0.943 3.039 1.00 13.50 H new ATOM 0 HG22 VAL A 73 0.234 -0.754 4.766 1.00 13.50 H new ATOM 0 HG23 VAL A 73 0.998 -2.252 4.183 1.00 13.50 H new ATOM 472 N GLN A 74 -3.061 -4.495 3.818 1.00 63.44 N ATOM 473 CA GLN A 74 -4.348 -5.081 3.432 1.00 75.53 C ATOM 474 C GLN A 74 -5.220 -5.413 4.646 1.00 31.10 C ATOM 475 O GLN A 74 -6.413 -5.127 4.634 1.00 55.43 O ATOM 476 CB GLN A 74 -4.137 -6.323 2.549 1.00 22.43 C ATOM 477 CG GLN A 74 -5.437 -6.959 2.017 1.00 71.13 C ATOM 478 CD GLN A 74 -6.121 -6.205 0.871 1.00 11.45 C ATOM 479 OE1 GLN A 74 -6.186 -6.707 -0.248 1.00 63.55 O ATOM 480 NE2 GLN A 74 -6.669 -5.021 1.088 1.00 60.24 N ATOM 0 H GLN A 74 -2.247 -4.995 3.460 1.00 63.44 H new ATOM 0 HA GLN A 74 -4.884 -4.330 2.852 1.00 75.53 H new ATOM 0 HB2 GLN A 74 -3.509 -6.048 1.702 1.00 22.43 H new ATOM 0 HB3 GLN A 74 -3.590 -7.071 3.122 1.00 22.43 H new ATOM 0 HG2 GLN A 74 -5.214 -7.971 1.680 1.00 71.13 H new ATOM 0 HG3 GLN A 74 -6.143 -7.046 2.843 1.00 71.13 H new ATOM 0 HE21 GLN A 74 -6.619 -4.598 2.015 1.00 60.24 H new ATOM 0 HE22 GLN A 74 -7.142 -4.531 0.329 1.00 60.24 H new ATOM 489 N ASN A 75 -4.639 -5.995 5.690 1.00 21.40 N ATOM 490 CA ASN A 75 -5.321 -6.383 6.918 1.00 24.43 C ATOM 491 C ASN A 75 -5.917 -5.180 7.640 1.00 50.20 C ATOM 492 O ASN A 75 -6.983 -5.300 8.254 1.00 43.24 O ATOM 493 CB ASN A 75 -4.323 -7.048 7.878 1.00 73.31 C ATOM 494 CG ASN A 75 -3.905 -8.447 7.466 1.00 15.43 C ATOM 495 OD1 ASN A 75 -4.735 -9.281 7.111 1.00 31.41 O ATOM 496 ND2 ASN A 75 -2.629 -8.763 7.576 1.00 11.13 N ATOM 0 H ASN A 75 -3.644 -6.217 5.704 1.00 21.40 H new ATOM 0 HA ASN A 75 -6.121 -7.068 6.636 1.00 24.43 H new ATOM 0 HB2 ASN A 75 -3.434 -6.422 7.952 1.00 73.31 H new ATOM 0 HB3 ASN A 75 -4.766 -7.091 8.873 1.00 73.31 H new ATOM 0 HD21 ASN A 75 -2.318 -9.711 7.365 1.00 11.13 H new ATOM 0 HD22 ASN A 75 -1.953 -8.059 7.872 1.00 11.13 H new ATOM 503 N LEU A 76 -5.215 -4.044 7.580 1.00 1.31 N ATOM 504 CA LEU A 76 -5.601 -2.784 8.219 1.00 40.22 C ATOM 505 C LEU A 76 -6.381 -1.859 7.270 1.00 54.43 C ATOM 506 O LEU A 76 -7.008 -0.894 7.715 1.00 30.50 O ATOM 507 CB LEU A 76 -4.328 -2.095 8.752 1.00 14.34 C ATOM 508 CG LEU A 76 -3.432 -3.013 9.623 1.00 51.44 C ATOM 509 CD1 LEU A 76 -2.103 -2.337 9.962 1.00 35.22 C ATOM 510 CD2 LEU A 76 -4.123 -3.508 10.892 1.00 33.24 C ATOM 0 H LEU A 76 -4.335 -3.975 7.069 1.00 1.31 H new ATOM 0 HA LEU A 76 -6.279 -3.003 9.044 1.00 40.22 H new ATOM 0 HB2 LEU A 76 -3.744 -1.730 7.907 1.00 14.34 H new ATOM 0 HB3 LEU A 76 -4.618 -1.224 9.339 1.00 14.34 H new ATOM 0 HG LEU A 76 -3.232 -3.894 9.014 1.00 51.44 H new ATOM 0 HD11 LEU A 76 -1.499 -3.008 10.573 1.00 35.22 H new ATOM 0 HD12 LEU A 76 -1.568 -2.105 9.041 1.00 35.22 H new ATOM 0 HD13 LEU A 76 -2.293 -1.416 10.513 1.00 35.22 H new ATOM 0 HD21 LEU A 76 -3.439 -4.145 11.454 1.00 33.24 H new ATOM 0 HD22 LEU A 76 -4.411 -2.655 11.506 1.00 33.24 H new ATOM 0 HD23 LEU A 76 -5.012 -4.078 10.623 1.00 33.24 H new ATOM 522 N ALA A 77 -6.383 -2.165 5.972 1.00 12.54 N ATOM 523 CA ALA A 77 -7.044 -1.457 4.892 1.00 71.42 C ATOM 524 C ALA A 77 -7.704 -2.489 3.966 1.00 54.14 C ATOM 525 O ALA A 77 -7.302 -2.621 2.803 1.00 65.15 O ATOM 526 CB ALA A 77 -6.013 -0.591 4.149 1.00 14.43 C ATOM 0 H ALA A 77 -5.879 -2.983 5.628 1.00 12.54 H new ATOM 0 HA ALA A 77 -7.819 -0.792 5.273 1.00 71.42 H new ATOM 0 HB1 ALA A 77 -6.505 -0.057 3.336 1.00 14.43 H new ATOM 0 HB2 ALA A 77 -5.574 0.127 4.842 1.00 14.43 H new ATOM 0 HB3 ALA A 77 -5.228 -1.229 3.742 1.00 14.43 H new ATOM 532 N PRO A 78 -8.744 -3.213 4.422 1.00 15.52 N ATOM 533 CA PRO A 78 -9.416 -4.223 3.602 1.00 44.40 C ATOM 534 C PRO A 78 -10.144 -3.618 2.392 1.00 62.22 C ATOM 535 O PRO A 78 -10.631 -4.350 1.529 1.00 11.14 O ATOM 536 CB PRO A 78 -10.362 -4.958 4.558 1.00 44.14 C ATOM 537 CG PRO A 78 -10.647 -3.927 5.651 1.00 4.11 C ATOM 538 CD PRO A 78 -9.330 -3.163 5.755 1.00 32.21 C ATOM 0 HA PRO A 78 -8.698 -4.909 3.152 1.00 44.40 H new ATOM 0 HB2 PRO A 78 -11.277 -5.271 4.054 1.00 44.14 H new ATOM 0 HB3 PRO A 78 -9.900 -5.857 4.966 1.00 44.14 H new ATOM 0 HG2 PRO A 78 -11.474 -3.270 5.381 1.00 4.11 H new ATOM 0 HG3 PRO A 78 -10.913 -4.403 6.595 1.00 4.11 H new ATOM 0 HD2 PRO A 78 -9.498 -2.134 6.072 1.00 32.21 H new ATOM 0 HD3 PRO A 78 -8.669 -3.619 6.492 1.00 32.21 H new ATOM 546 N ASN A 79 -10.255 -2.287 2.323 1.00 71.45 N ATOM 547 CA ASN A 79 -10.906 -1.582 1.227 1.00 63.41 C ATOM 548 C ASN A 79 -9.933 -1.301 0.075 1.00 55.54 C ATOM 549 O ASN A 79 -10.371 -0.883 -1.000 1.00 71.45 O ATOM 550 CB ASN A 79 -11.517 -0.276 1.762 1.00 31.52 C ATOM 551 CG ASN A 79 -12.761 0.176 1.003 1.00 20.44 C ATOM 552 OD1 ASN A 79 -13.756 0.537 1.616 1.00 14.53 O ATOM 553 ND2 ASN A 79 -12.744 0.257 -0.309 1.00 42.14 N ATOM 0 H ASN A 79 -9.887 -1.664 3.042 1.00 71.45 H new ATOM 0 HA ASN A 79 -11.696 -2.215 0.824 1.00 63.41 H new ATOM 0 HB2 ASN A 79 -11.772 -0.409 2.813 1.00 31.52 H new ATOM 0 HB3 ASN A 79 -10.766 0.513 1.713 1.00 31.52 H new ATOM 0 HD21 ASN A 79 -13.557 0.619 -0.808 1.00 42.14 H new ATOM 0 HD22 ASN A 79 -11.918 -0.042 -0.828 1.00 42.14 H new ATOM 560 N LEU A 80 -8.625 -1.479 0.266 1.00 23.22 N ATOM 561 CA LEU A 80 -7.650 -1.216 -0.784 1.00 14.40 C ATOM 562 C LEU A 80 -7.418 -2.435 -1.660 1.00 22.20 C ATOM 563 O LEU A 80 -7.540 -3.572 -1.202 1.00 74.22 O ATOM 564 CB LEU A 80 -6.314 -0.786 -0.167 1.00 64.54 C ATOM 565 CG LEU A 80 -6.298 0.674 0.312 1.00 12.44 C ATOM 566 CD1 LEU A 80 -4.918 0.989 0.887 1.00 44.30 C ATOM 567 CD2 LEU A 80 -6.643 1.687 -0.796 1.00 5.25 C ATOM 0 H LEU A 80 -8.219 -1.806 1.143 1.00 23.22 H new ATOM 0 HA LEU A 80 -8.054 -0.417 -1.406 1.00 14.40 H new ATOM 0 HB2 LEU A 80 -6.086 -1.438 0.676 1.00 64.54 H new ATOM 0 HB3 LEU A 80 -5.522 -0.927 -0.902 1.00 64.54 H new ATOM 0 HG LEU A 80 -7.074 0.774 1.071 1.00 12.44 H new ATOM 0 HD11 LEU A 80 -4.894 2.023 1.230 1.00 44.30 H new ATOM 0 HD12 LEU A 80 -4.713 0.323 1.725 1.00 44.30 H new ATOM 0 HD13 LEU A 80 -4.161 0.845 0.116 1.00 44.30 H new ATOM 0 HD21 LEU A 80 -6.613 2.697 -0.388 1.00 5.25 H new ATOM 0 HD22 LEU A 80 -5.918 1.601 -1.606 1.00 5.25 H new ATOM 0 HD23 LEU A 80 -7.642 1.480 -1.180 1.00 5.25 H new ATOM 579 N HIS A 81 -7.026 -2.184 -2.909 1.00 2.41 N ATOM 580 CA HIS A 81 -6.729 -3.214 -3.882 1.00 55.14 C ATOM 581 C HIS A 81 -5.396 -3.836 -3.467 1.00 21.43 C ATOM 582 O HIS A 81 -4.487 -3.099 -3.058 1.00 45.31 O ATOM 583 CB HIS A 81 -6.646 -2.599 -5.277 1.00 63.25 C ATOM 584 CG HIS A 81 -6.604 -3.601 -6.383 1.00 71.33 C ATOM 585 ND1 HIS A 81 -5.452 -4.229 -6.843 1.00 51.42 N ATOM 586 CD2 HIS A 81 -7.682 -4.045 -7.084 1.00 13.25 C ATOM 587 CE1 HIS A 81 -5.869 -5.037 -7.836 1.00 3.31 C ATOM 588 NE2 HIS A 81 -7.199 -4.950 -7.995 1.00 72.40 N ATOM 0 H HIS A 81 -6.906 -1.238 -3.272 1.00 2.41 H new ATOM 0 HA HIS A 81 -7.507 -3.977 -3.914 1.00 55.14 H new ATOM 0 HB2 HIS A 81 -7.505 -1.945 -5.426 1.00 63.25 H new ATOM 0 HB3 HIS A 81 -5.755 -1.973 -5.334 1.00 63.25 H new ATOM 0 HD2 HIS A 81 -8.711 -3.745 -6.950 1.00 13.25 H new ATOM 0 HE1 HIS A 81 -5.221 -5.669 -8.425 1.00 3.31 H new ATOM 0 HE2 HIS A 81 -7.755 -5.468 -8.676 1.00 72.40 H new ATOM 596 N PRO A 82 -5.240 -5.160 -3.573 1.00 4.25 N ATOM 597 CA PRO A 82 -4.028 -5.847 -3.170 1.00 4.10 C ATOM 598 C PRO A 82 -2.816 -5.516 -4.037 1.00 52.21 C ATOM 599 O PRO A 82 -1.688 -5.667 -3.568 1.00 65.44 O ATOM 600 CB PRO A 82 -4.383 -7.329 -3.191 1.00 13.44 C ATOM 601 CG PRO A 82 -5.521 -7.432 -4.201 1.00 45.43 C ATOM 602 CD PRO A 82 -6.233 -6.092 -4.065 1.00 44.54 C ATOM 0 HA PRO A 82 -3.711 -5.522 -2.179 1.00 4.10 H new ATOM 0 HB2 PRO A 82 -3.530 -7.938 -3.490 1.00 13.44 H new ATOM 0 HB3 PRO A 82 -4.693 -7.677 -2.206 1.00 13.44 H new ATOM 0 HG2 PRO A 82 -5.148 -7.588 -5.213 1.00 45.43 H new ATOM 0 HG3 PRO A 82 -6.186 -8.266 -3.974 1.00 45.43 H new ATOM 0 HD2 PRO A 82 -6.634 -5.764 -5.024 1.00 44.54 H new ATOM 0 HD3 PRO A 82 -7.074 -6.165 -3.376 1.00 44.54 H new ATOM 610 N GLU A 83 -3.025 -5.073 -5.278 1.00 21.40 N ATOM 611 CA GLU A 83 -1.945 -4.726 -6.188 1.00 74.34 C ATOM 612 C GLU A 83 -1.500 -3.288 -5.930 1.00 0.44 C ATOM 613 O GLU A 83 -0.301 -2.992 -5.945 1.00 42.21 O ATOM 614 CB GLU A 83 -2.439 -4.864 -7.640 1.00 51.35 C ATOM 615 CG GLU A 83 -1.368 -5.223 -8.681 1.00 33.00 C ATOM 616 CD GLU A 83 -0.889 -6.676 -8.669 1.00 31.55 C ATOM 617 OE1 GLU A 83 -0.768 -7.285 -7.585 1.00 3.22 O ATOM 618 OE2 GLU A 83 -0.490 -7.173 -9.754 1.00 62.43 O ATOM 0 H GLU A 83 -3.955 -4.946 -5.677 1.00 21.40 H new ATOM 0 HA GLU A 83 -1.101 -5.396 -6.026 1.00 74.34 H new ATOM 0 HB2 GLU A 83 -3.216 -5.628 -7.668 1.00 51.35 H new ATOM 0 HB3 GLU A 83 -2.905 -3.924 -7.936 1.00 51.35 H new ATOM 0 HG2 GLU A 83 -1.762 -4.998 -9.672 1.00 33.00 H new ATOM 0 HG3 GLU A 83 -0.506 -4.575 -8.526 1.00 33.00 H new ATOM 625 N GLN A 84 -2.462 -2.382 -5.678 1.00 44.24 N ATOM 626 CA GLN A 84 -2.135 -0.987 -5.409 1.00 44.22 C ATOM 627 C GLN A 84 -1.259 -0.896 -4.161 1.00 22.41 C ATOM 628 O GLN A 84 -0.294 -0.134 -4.184 1.00 54.10 O ATOM 629 CB GLN A 84 -3.393 -0.151 -5.173 1.00 42.43 C ATOM 630 CG GLN A 84 -4.283 0.064 -6.398 1.00 3.11 C ATOM 631 CD GLN A 84 -5.535 0.860 -6.041 1.00 21.40 C ATOM 632 OE1 GLN A 84 -6.654 0.372 -6.065 1.00 13.01 O ATOM 633 NE2 GLN A 84 -5.366 2.106 -5.648 1.00 15.42 N ATOM 0 H GLN A 84 -3.459 -2.596 -5.657 1.00 44.24 H new ATOM 0 HA GLN A 84 -1.610 -0.598 -6.281 1.00 44.22 H new ATOM 0 HB2 GLN A 84 -3.986 -0.632 -4.395 1.00 42.43 H new ATOM 0 HB3 GLN A 84 -3.093 0.824 -4.789 1.00 42.43 H new ATOM 0 HG2 GLN A 84 -3.722 0.591 -7.170 1.00 3.11 H new ATOM 0 HG3 GLN A 84 -4.570 -0.901 -6.816 1.00 3.11 H new ATOM 0 HE21 GLN A 84 -4.431 2.512 -5.628 1.00 15.42 H new ATOM 0 HE22 GLN A 84 -6.171 2.665 -5.363 1.00 15.42 H new ATOM 642 N ILE A 85 -1.551 -1.693 -3.119 1.00 13.33 N ATOM 643 CA ILE A 85 -0.810 -1.705 -1.859 1.00 30.33 C ATOM 644 C ILE A 85 0.669 -1.893 -2.145 1.00 2.32 C ATOM 645 O ILE A 85 1.467 -1.068 -1.720 1.00 12.25 O ATOM 646 CB ILE A 85 -1.332 -2.796 -0.909 1.00 33.41 C ATOM 647 CG1 ILE A 85 -2.727 -2.465 -0.358 1.00 13.32 C ATOM 648 CG2 ILE A 85 -0.370 -2.980 0.275 1.00 12.23 C ATOM 649 CD1 ILE A 85 -3.379 -3.710 0.240 1.00 22.42 C ATOM 0 H ILE A 85 -2.325 -2.357 -3.136 1.00 13.33 H new ATOM 0 HA ILE A 85 -0.958 -0.749 -1.357 1.00 30.33 H new ATOM 0 HB ILE A 85 -1.397 -3.714 -1.492 1.00 33.41 H new ATOM 0 HG12 ILE A 85 -2.648 -1.688 0.403 1.00 13.32 H new ATOM 0 HG13 ILE A 85 -3.354 -2.067 -1.156 1.00 13.32 H new ATOM 0 HG21 ILE A 85 -0.753 -3.755 0.938 1.00 12.23 H new ATOM 0 HG22 ILE A 85 0.612 -3.273 -0.096 1.00 12.23 H new ATOM 0 HG23 ILE A 85 -0.285 -2.042 0.824 1.00 12.23 H new ATOM 0 HD11 ILE A 85 -4.366 -3.454 0.625 1.00 22.42 H new ATOM 0 HD12 ILE A 85 -3.477 -4.475 -0.530 1.00 22.42 H new ATOM 0 HD13 ILE A 85 -2.760 -4.090 1.053 1.00 22.42 H new ATOM 661 N ARG A 86 1.044 -2.969 -2.845 1.00 43.51 N ATOM 662 CA ARG A 86 2.433 -3.232 -3.193 1.00 41.34 C ATOM 663 C ARG A 86 3.109 -1.970 -3.724 1.00 44.15 C ATOM 664 O ARG A 86 4.145 -1.558 -3.204 1.00 14.04 O ATOM 665 CB ARG A 86 2.470 -4.393 -4.191 1.00 51.24 C ATOM 666 CG ARG A 86 3.900 -4.822 -4.530 1.00 33.41 C ATOM 667 CD ARG A 86 4.599 -4.144 -5.719 1.00 55.43 C ATOM 668 NE ARG A 86 3.779 -4.090 -6.943 1.00 51.34 N ATOM 669 CZ ARG A 86 3.379 -5.124 -7.702 1.00 54.13 C ATOM 670 NH1 ARG A 86 3.614 -6.390 -7.385 1.00 34.13 N ATOM 671 NH2 ARG A 86 2.724 -4.905 -8.836 1.00 42.12 N ATOM 0 H ARG A 86 0.391 -3.676 -3.182 1.00 43.51 H new ATOM 0 HA ARG A 86 3.000 -3.522 -2.308 1.00 41.34 H new ATOM 0 HB2 ARG A 86 1.927 -5.242 -3.777 1.00 51.24 H new ATOM 0 HB3 ARG A 86 1.954 -4.100 -5.106 1.00 51.24 H new ATOM 0 HG2 ARG A 86 4.515 -4.659 -3.645 1.00 33.41 H new ATOM 0 HG3 ARG A 86 3.890 -5.896 -4.718 1.00 33.41 H new ATOM 0 HD2 ARG A 86 4.876 -3.129 -5.434 1.00 55.43 H new ATOM 0 HD3 ARG A 86 5.524 -4.678 -5.937 1.00 55.43 H new ATOM 0 HE ARG A 86 3.482 -3.163 -7.248 1.00 51.34 H new ATOM 0 HH11 ARG A 86 4.121 -6.616 -6.529 1.00 34.13 H new ATOM 0 HH12 ARG A 86 3.288 -7.138 -7.997 1.00 34.13 H new ATOM 0 HH21 ARG A 86 2.523 -3.950 -9.133 1.00 42.12 H new ATOM 0 HH22 ARG A 86 2.421 -5.692 -9.410 1.00 42.12 H new ATOM 685 N TYR A 87 2.524 -1.347 -4.745 1.00 55.31 N ATOM 686 CA TYR A 87 3.083 -0.134 -5.326 1.00 14.23 C ATOM 687 C TYR A 87 3.146 1.007 -4.309 1.00 15.20 C ATOM 688 O TYR A 87 4.085 1.805 -4.319 1.00 12.42 O ATOM 689 CB TYR A 87 2.230 0.275 -6.527 1.00 12.34 C ATOM 690 CG TYR A 87 2.925 1.232 -7.472 1.00 61.34 C ATOM 691 CD1 TYR A 87 4.188 0.911 -8.018 1.00 3.45 C ATOM 692 CD2 TYR A 87 2.307 2.452 -7.808 1.00 73.41 C ATOM 693 CE1 TYR A 87 4.815 1.801 -8.904 1.00 72.22 C ATOM 694 CE2 TYR A 87 2.928 3.342 -8.701 1.00 32.13 C ATOM 695 CZ TYR A 87 4.185 3.013 -9.257 1.00 61.14 C ATOM 696 OH TYR A 87 4.800 3.857 -10.124 1.00 11.45 O ATOM 0 H TYR A 87 1.661 -1.665 -5.186 1.00 55.31 H new ATOM 0 HA TYR A 87 4.106 -0.339 -5.642 1.00 14.23 H new ATOM 0 HB2 TYR A 87 1.942 -0.620 -7.078 1.00 12.34 H new ATOM 0 HB3 TYR A 87 1.311 0.737 -6.167 1.00 12.34 H new ATOM 0 HD1 TYR A 87 4.671 -0.018 -7.754 1.00 3.45 H new ATOM 0 HD2 TYR A 87 1.350 2.705 -7.377 1.00 73.41 H new ATOM 0 HE1 TYR A 87 5.783 1.557 -9.317 1.00 72.22 H new ATOM 0 HE2 TYR A 87 2.447 4.273 -8.961 1.00 32.13 H new ATOM 0 HH TYR A 87 4.238 4.647 -10.266 1.00 11.45 H new ATOM 706 N SER A 88 2.150 1.093 -3.429 1.00 51.43 N ATOM 707 CA SER A 88 2.110 2.138 -2.408 1.00 60.14 C ATOM 708 C SER A 88 3.327 1.983 -1.518 1.00 1.10 C ATOM 709 O SER A 88 4.055 2.940 -1.310 1.00 3.04 O ATOM 710 CB SER A 88 0.854 2.079 -1.540 1.00 10.23 C ATOM 711 OG SER A 88 -0.310 2.173 -2.315 1.00 33.13 O ATOM 0 H SER A 88 1.359 0.450 -3.403 1.00 51.43 H new ATOM 0 HA SER A 88 2.101 3.100 -2.921 1.00 60.14 H new ATOM 0 HB2 SER A 88 0.843 1.146 -0.977 1.00 10.23 H new ATOM 0 HB3 SER A 88 0.875 2.890 -0.812 1.00 10.23 H new ATOM 0 HG SER A 88 -0.993 2.672 -1.820 1.00 33.13 H new ATOM 717 N LEU A 89 3.570 0.769 -1.036 1.00 75.03 N ATOM 718 CA LEU A 89 4.691 0.443 -0.174 1.00 73.11 C ATOM 719 C LEU A 89 6.007 0.753 -0.872 1.00 45.54 C ATOM 720 O LEU A 89 6.956 1.151 -0.207 1.00 21.44 O ATOM 721 CB LEU A 89 4.642 -1.042 0.178 1.00 75.41 C ATOM 722 CG LEU A 89 3.394 -1.447 0.964 1.00 52.21 C ATOM 723 CD1 LEU A 89 3.222 -2.952 0.844 1.00 74.31 C ATOM 724 CD2 LEU A 89 3.498 -1.027 2.421 1.00 32.42 C ATOM 0 H LEU A 89 2.975 -0.034 -1.242 1.00 75.03 H new ATOM 0 HA LEU A 89 4.624 1.043 0.733 1.00 73.11 H new ATOM 0 HB2 LEU A 89 4.687 -1.626 -0.741 1.00 75.41 H new ATOM 0 HB3 LEU A 89 5.527 -1.297 0.761 1.00 75.41 H new ATOM 0 HG LEU A 89 2.523 -0.939 0.551 1.00 52.21 H new ATOM 0 HD11 LEU A 89 2.336 -3.262 1.398 1.00 74.31 H new ATOM 0 HD12 LEU A 89 3.107 -3.222 -0.206 1.00 74.31 H new ATOM 0 HD13 LEU A 89 4.100 -3.452 1.253 1.00 74.31 H new ATOM 0 HD21 LEU A 89 2.595 -1.329 2.952 1.00 32.42 H new ATOM 0 HD22 LEU A 89 4.365 -1.506 2.877 1.00 32.42 H new ATOM 0 HD23 LEU A 89 3.608 0.056 2.481 1.00 32.42 H new ATOM 736 N GLU A 90 6.087 0.551 -2.193 1.00 15.45 N ATOM 737 CA GLU A 90 7.310 0.839 -2.936 1.00 14.55 C ATOM 738 C GLU A 90 7.559 2.350 -2.953 1.00 11.31 C ATOM 739 O GLU A 90 8.702 2.797 -2.930 1.00 11.00 O ATOM 740 CB GLU A 90 7.204 0.319 -4.378 1.00 43.54 C ATOM 741 CG GLU A 90 7.348 -1.208 -4.465 1.00 51.30 C ATOM 742 CD GLU A 90 7.599 -1.729 -5.882 1.00 72.04 C ATOM 743 OE1 GLU A 90 6.710 -1.632 -6.763 1.00 45.05 O ATOM 744 OE2 GLU A 90 8.695 -2.305 -6.092 1.00 4.30 O ATOM 0 H GLU A 90 5.321 0.191 -2.763 1.00 15.45 H new ATOM 0 HA GLU A 90 8.142 0.335 -2.444 1.00 14.55 H new ATOM 0 HB2 GLU A 90 6.242 0.614 -4.798 1.00 43.54 H new ATOM 0 HB3 GLU A 90 7.976 0.789 -4.988 1.00 43.54 H new ATOM 0 HG2 GLU A 90 8.170 -1.522 -3.822 1.00 51.30 H new ATOM 0 HG3 GLU A 90 6.442 -1.671 -4.074 1.00 51.30 H new ATOM 751 N ASN A 91 6.478 3.126 -2.988 1.00 53.43 N ATOM 752 CA ASN A 91 6.499 4.581 -3.019 1.00 5.05 C ATOM 753 C ASN A 91 6.740 5.231 -1.656 1.00 10.23 C ATOM 754 O ASN A 91 7.575 6.136 -1.559 1.00 33.33 O ATOM 755 CB ASN A 91 5.186 5.118 -3.612 1.00 71.15 C ATOM 756 CG ASN A 91 5.235 5.157 -5.128 1.00 33.22 C ATOM 757 OD1 ASN A 91 5.378 6.233 -5.704 1.00 64.50 O ATOM 758 ND2 ASN A 91 5.099 4.018 -5.782 1.00 52.34 N ATOM 0 H ASN A 91 5.533 2.743 -2.996 1.00 53.43 H new ATOM 0 HA ASN A 91 7.348 4.850 -3.648 1.00 5.05 H new ATOM 0 HB2 ASN A 91 4.356 4.489 -3.290 1.00 71.15 H new ATOM 0 HB3 ASN A 91 4.995 6.120 -3.227 1.00 71.15 H new ATOM 0 HD21 ASN A 91 5.111 4.011 -6.802 1.00 52.34 H new ATOM 0 HD22 ASN A 91 4.982 3.145 -5.267 1.00 52.34 H new ATOM 765 N THR A 92 6.000 4.845 -0.622 1.00 33.45 N ATOM 766 CA THR A 92 6.084 5.385 0.726 1.00 13.32 C ATOM 767 C THR A 92 7.337 4.874 1.441 1.00 1.31 C ATOM 768 O THR A 92 8.071 5.628 2.074 1.00 23.13 O ATOM 769 CB THR A 92 4.792 4.968 1.453 1.00 24.20 C ATOM 770 OG1 THR A 92 4.710 3.556 1.504 1.00 32.01 O ATOM 771 CG2 THR A 92 3.518 5.469 0.762 1.00 73.54 C ATOM 0 H THR A 92 5.294 4.114 -0.707 1.00 33.45 H new ATOM 0 HA THR A 92 6.171 6.471 0.712 1.00 13.32 H new ATOM 0 HB THR A 92 4.848 5.416 2.445 1.00 24.20 H new ATOM 0 HG1 THR A 92 4.353 3.218 0.656 1.00 32.01 H new ATOM 0 HG21 THR A 92 2.645 5.140 1.326 1.00 73.54 H new ATOM 0 HG22 THR A 92 3.532 6.558 0.718 1.00 73.54 H new ATOM 0 HG23 THR A 92 3.470 5.065 -0.249 1.00 73.54 H new ATOM 779 N GLY A 93 7.606 3.583 1.248 1.00 61.43 N ATOM 780 CA GLY A 93 8.709 2.809 1.792 1.00 21.54 C ATOM 781 C GLY A 93 8.312 2.020 3.044 1.00 25.04 C ATOM 782 O GLY A 93 8.988 1.043 3.364 1.00 1.32 O ATOM 0 H GLY A 93 7.005 3.009 0.657 1.00 61.43 H new ATOM 0 HA2 GLY A 93 9.073 2.118 1.032 1.00 21.54 H new ATOM 0 HA3 GLY A 93 9.534 3.479 2.035 1.00 21.54 H new ATOM 786 N SER A 94 7.206 2.365 3.716 1.00 4.04 N ATOM 787 CA SER A 94 6.739 1.704 4.920 1.00 54.21 C ATOM 788 C SER A 94 5.227 1.526 4.930 1.00 43.41 C ATOM 789 O SER A 94 4.445 2.280 4.346 1.00 23.02 O ATOM 790 CB SER A 94 7.211 2.475 6.162 1.00 52.40 C ATOM 791 OG SER A 94 8.512 2.042 6.510 1.00 24.35 O ATOM 0 H SER A 94 6.603 3.133 3.421 1.00 4.04 H new ATOM 0 HA SER A 94 7.172 0.704 4.938 1.00 54.21 H new ATOM 0 HB2 SER A 94 7.213 3.546 5.961 1.00 52.40 H new ATOM 0 HB3 SER A 94 6.525 2.307 6.992 1.00 52.40 H new ATOM 0 HG SER A 94 8.819 2.532 7.301 1.00 24.35 H new ATOM 797 N VAL A 95 4.835 0.469 5.624 1.00 24.14 N ATOM 798 CA VAL A 95 3.458 0.043 5.829 1.00 44.53 C ATOM 799 C VAL A 95 2.747 1.122 6.630 1.00 50.42 C ATOM 800 O VAL A 95 1.650 1.522 6.262 1.00 11.44 O ATOM 801 CB VAL A 95 3.459 -1.280 6.607 1.00 51.44 C ATOM 802 CG1 VAL A 95 2.080 -1.810 6.984 1.00 1.22 C ATOM 803 CG2 VAL A 95 4.227 -2.375 5.876 1.00 72.33 C ATOM 0 H VAL A 95 5.504 -0.148 6.084 1.00 24.14 H new ATOM 0 HA VAL A 95 2.948 -0.107 4.877 1.00 44.53 H new ATOM 0 HB VAL A 95 3.964 -1.023 7.538 1.00 51.44 H new ATOM 0 HG11 VAL A 95 2.187 -2.747 7.530 1.00 1.22 H new ATOM 0 HG12 VAL A 95 1.569 -1.080 7.612 1.00 1.22 H new ATOM 0 HG13 VAL A 95 1.496 -1.982 6.080 1.00 1.22 H new ATOM 0 HG21 VAL A 95 4.201 -3.292 6.464 1.00 72.33 H new ATOM 0 HG22 VAL A 95 3.768 -2.554 4.904 1.00 72.33 H new ATOM 0 HG23 VAL A 95 5.262 -2.063 5.737 1.00 72.33 H new ATOM 813 N GLU A 96 3.387 1.577 7.709 1.00 2.54 N ATOM 814 CA GLU A 96 2.885 2.596 8.619 1.00 54.54 C ATOM 815 C GLU A 96 2.431 3.828 7.834 1.00 32.13 C ATOM 816 O GLU A 96 1.267 4.206 7.926 1.00 14.55 O ATOM 817 CB GLU A 96 3.945 2.810 9.719 1.00 2.42 C ATOM 818 CG GLU A 96 5.159 3.697 9.396 1.00 14.03 C ATOM 819 CD GLU A 96 4.920 5.196 9.596 1.00 43.51 C ATOM 820 OE1 GLU A 96 4.407 5.577 10.671 1.00 5.03 O ATOM 821 OE2 GLU A 96 5.272 5.962 8.674 1.00 70.51 O ATOM 0 H GLU A 96 4.307 1.228 7.979 1.00 2.54 H new ATOM 0 HA GLU A 96 1.978 2.295 9.143 1.00 54.54 H new ATOM 0 HB2 GLU A 96 3.442 3.237 10.587 1.00 2.42 H new ATOM 0 HB3 GLU A 96 4.318 1.830 10.017 1.00 2.42 H new ATOM 0 HG2 GLU A 96 5.996 3.388 10.023 1.00 14.03 H new ATOM 0 HG3 GLU A 96 5.455 3.524 8.361 1.00 14.03 H new ATOM 828 N GLU A 97 3.287 4.347 6.948 1.00 51.32 N ATOM 829 CA GLU A 97 2.956 5.526 6.153 1.00 52.25 C ATOM 830 C GLU A 97 1.763 5.224 5.249 1.00 35.34 C ATOM 831 O GLU A 97 0.869 6.050 5.093 1.00 15.24 O ATOM 832 CB GLU A 97 4.173 5.981 5.318 1.00 33.13 C ATOM 833 CG GLU A 97 3.784 7.125 4.375 1.00 11.15 C ATOM 834 CD GLU A 97 4.951 8.011 3.963 1.00 63.43 C ATOM 835 OE1 GLU A 97 5.297 8.956 4.710 1.00 2.33 O ATOM 836 OE2 GLU A 97 5.433 7.890 2.817 1.00 74.44 O ATOM 0 H GLU A 97 4.215 3.966 6.766 1.00 51.32 H new ATOM 0 HA GLU A 97 2.689 6.340 6.827 1.00 52.25 H new ATOM 0 HB2 GLU A 97 4.975 6.306 5.981 1.00 33.13 H new ATOM 0 HB3 GLU A 97 4.558 5.141 4.740 1.00 33.13 H new ATOM 0 HG2 GLU A 97 3.326 6.704 3.479 1.00 11.15 H new ATOM 0 HG3 GLU A 97 3.027 7.741 4.860 1.00 11.15 H new ATOM 843 N THR A 98 1.757 4.040 4.639 1.00 2.13 N ATOM 844 CA THR A 98 0.708 3.587 3.741 1.00 43.40 C ATOM 845 C THR A 98 -0.659 3.526 4.443 1.00 51.24 C ATOM 846 O THR A 98 -1.688 3.890 3.865 1.00 64.44 O ATOM 847 CB THR A 98 1.146 2.257 3.117 1.00 61.43 C ATOM 848 OG1 THR A 98 2.439 2.405 2.559 1.00 70.15 O ATOM 849 CG2 THR A 98 0.224 1.829 1.982 1.00 51.14 C ATOM 0 H THR A 98 2.503 3.355 4.762 1.00 2.13 H new ATOM 0 HA THR A 98 0.565 4.306 2.935 1.00 43.40 H new ATOM 0 HB THR A 98 1.122 1.509 3.909 1.00 61.43 H new ATOM 0 HG1 THR A 98 3.109 2.071 3.192 1.00 70.15 H new ATOM 0 HG21 THR A 98 0.571 0.882 1.569 1.00 51.14 H new ATOM 0 HG22 THR A 98 -0.790 1.709 2.363 1.00 51.14 H new ATOM 0 HG23 THR A 98 0.231 2.590 1.201 1.00 51.14 H new ATOM 857 N VAL A 99 -0.689 3.079 5.689 1.00 55.12 N ATOM 858 CA VAL A 99 -1.918 2.977 6.461 1.00 42.42 C ATOM 859 C VAL A 99 -2.361 4.379 6.904 1.00 53.45 C ATOM 860 O VAL A 99 -3.561 4.662 6.875 1.00 45.42 O ATOM 861 CB VAL A 99 -1.707 1.988 7.627 1.00 35.10 C ATOM 862 CG1 VAL A 99 -2.902 1.949 8.582 1.00 73.22 C ATOM 863 CG2 VAL A 99 -1.513 0.557 7.090 1.00 50.10 C ATOM 0 H VAL A 99 0.143 2.775 6.196 1.00 55.12 H new ATOM 0 HA VAL A 99 -2.732 2.575 5.858 1.00 42.42 H new ATOM 0 HB VAL A 99 -0.824 2.338 8.162 1.00 35.10 H new ATOM 0 HG11 VAL A 99 -2.704 1.238 9.384 1.00 73.22 H new ATOM 0 HG12 VAL A 99 -3.061 2.940 9.006 1.00 73.22 H new ATOM 0 HG13 VAL A 99 -3.794 1.640 8.036 1.00 73.22 H new ATOM 0 HG21 VAL A 99 -1.365 -0.128 7.925 1.00 50.10 H new ATOM 0 HG22 VAL A 99 -2.396 0.257 6.526 1.00 50.10 H new ATOM 0 HG23 VAL A 99 -0.640 0.528 6.438 1.00 50.10 H new ATOM 873 N GLU A 100 -1.422 5.258 7.261 1.00 3.21 N ATOM 874 CA GLU A 100 -1.694 6.621 7.717 1.00 52.02 C ATOM 875 C GLU A 100 -2.279 7.473 6.595 1.00 45.12 C ATOM 876 O GLU A 100 -3.185 8.278 6.823 1.00 65.42 O ATOM 877 CB GLU A 100 -0.418 7.248 8.299 1.00 33.51 C ATOM 878 CG GLU A 100 -0.179 6.761 9.739 1.00 4.41 C ATOM 879 CD GLU A 100 0.877 7.574 10.494 1.00 23.54 C ATOM 880 OE1 GLU A 100 1.611 8.395 9.901 1.00 1.12 O ATOM 881 OE2 GLU A 100 0.931 7.463 11.744 1.00 62.23 O ATOM 0 H GLU A 100 -0.427 5.035 7.240 1.00 3.21 H new ATOM 0 HA GLU A 100 -2.443 6.580 8.508 1.00 52.02 H new ATOM 0 HB2 GLU A 100 0.438 6.988 7.676 1.00 33.51 H new ATOM 0 HB3 GLU A 100 -0.503 8.335 8.287 1.00 33.51 H new ATOM 0 HG2 GLU A 100 -1.119 6.803 10.289 1.00 4.41 H new ATOM 0 HG3 GLU A 100 0.129 5.716 9.714 1.00 4.41 H new ATOM 888 N ARG A 101 -1.800 7.295 5.366 1.00 75.11 N ATOM 889 CA ARG A 101 -2.307 8.039 4.219 1.00 12.24 C ATOM 890 C ARG A 101 -3.632 7.421 3.763 1.00 1.13 C ATOM 891 O ARG A 101 -4.547 8.113 3.324 1.00 63.33 O ATOM 892 CB ARG A 101 -1.231 8.081 3.137 1.00 25.31 C ATOM 893 CG ARG A 101 -0.906 6.691 2.599 1.00 73.33 C ATOM 894 CD ARG A 101 0.364 6.618 1.769 1.00 70.00 C ATOM 895 NE ARG A 101 0.306 7.600 0.691 1.00 65.25 N ATOM 896 CZ ARG A 101 -0.116 7.390 -0.563 1.00 21.34 C ATOM 897 NH1 ARG A 101 -0.340 6.151 -0.999 1.00 51.24 N ATOM 898 NH2 ARG A 101 -0.332 8.410 -1.371 1.00 1.10 N ATOM 0 H ARG A 101 -1.055 6.636 5.140 1.00 75.11 H new ATOM 0 HA ARG A 101 -2.526 9.075 4.476 1.00 12.24 H new ATOM 0 HB2 ARG A 101 -1.565 8.718 2.318 1.00 25.31 H new ATOM 0 HB3 ARG A 101 -0.326 8.533 3.543 1.00 25.31 H new ATOM 0 HG2 ARG A 101 -0.816 6.002 3.439 1.00 73.33 H new ATOM 0 HG3 ARG A 101 -1.742 6.346 1.991 1.00 73.33 H new ATOM 0 HD2 ARG A 101 1.233 6.807 2.399 1.00 70.00 H new ATOM 0 HD3 ARG A 101 0.482 5.617 1.355 1.00 70.00 H new ATOM 0 HE ARG A 101 0.619 8.544 0.916 1.00 65.25 H new ATOM 0 HH11 ARG A 101 -0.190 5.357 -0.377 1.00 51.24 H new ATOM 0 HH12 ARG A 101 -0.661 5.997 -1.955 1.00 51.24 H new ATOM 0 HH21 ARG A 101 -0.178 9.363 -1.042 1.00 1.10 H new ATOM 0 HH22 ARG A 101 -0.653 8.246 -2.325 1.00 1.10 H new ATOM 912 N TYR A 102 -3.776 6.107 3.887 1.00 2.21 N ATOM 913 CA TYR A 102 -5.005 5.420 3.516 1.00 11.13 C ATOM 914 C TYR A 102 -6.194 5.939 4.316 1.00 51.33 C ATOM 915 O TYR A 102 -7.142 6.459 3.719 1.00 44.11 O ATOM 916 CB TYR A 102 -4.831 3.931 3.722 1.00 11.10 C ATOM 917 CG TYR A 102 -6.122 3.176 3.896 1.00 60.21 C ATOM 918 CD1 TYR A 102 -7.029 3.073 2.829 1.00 63.24 C ATOM 919 CD2 TYR A 102 -6.438 2.651 5.159 1.00 52.43 C ATOM 920 CE1 TYR A 102 -8.213 2.336 2.993 1.00 32.33 C ATOM 921 CE2 TYR A 102 -7.626 1.928 5.334 1.00 3.22 C ATOM 922 CZ TYR A 102 -8.507 1.736 4.239 1.00 31.31 C ATOM 923 OH TYR A 102 -9.604 0.933 4.336 1.00 41.30 O ATOM 0 H TYR A 102 -3.047 5.491 4.246 1.00 2.21 H new ATOM 0 HA TYR A 102 -5.211 5.617 2.464 1.00 11.13 H new ATOM 0 HB2 TYR A 102 -4.294 3.518 2.868 1.00 11.10 H new ATOM 0 HB3 TYR A 102 -4.207 3.768 4.600 1.00 11.10 H new ATOM 0 HD1 TYR A 102 -6.817 3.558 1.887 1.00 63.24 H new ATOM 0 HD2 TYR A 102 -5.768 2.804 5.993 1.00 52.43 H new ATOM 0 HE1 TYR A 102 -8.900 2.227 2.167 1.00 32.33 H new ATOM 0 HE2 TYR A 102 -7.871 1.517 6.302 1.00 3.22 H new ATOM 0 HH TYR A 102 -9.679 0.590 5.251 1.00 41.30 H new ATOM 933 N LEU A 103 -6.129 5.824 5.646 1.00 33.32 N ATOM 934 CA LEU A 103 -7.183 6.281 6.547 1.00 35.25 C ATOM 935 C LEU A 103 -7.496 7.759 6.353 1.00 42.54 C ATOM 936 O LEU A 103 -8.640 8.168 6.565 1.00 32.20 O ATOM 937 CB LEU A 103 -6.829 5.967 8.015 1.00 3.12 C ATOM 938 CG LEU A 103 -5.572 6.672 8.580 1.00 71.41 C ATOM 939 CD1 LEU A 103 -5.820 8.084 9.140 1.00 52.20 C ATOM 940 CD2 LEU A 103 -4.986 5.791 9.689 1.00 23.34 C ATOM 0 H LEU A 103 -5.334 5.406 6.129 1.00 33.32 H new ATOM 0 HA LEU A 103 -8.089 5.730 6.295 1.00 35.25 H new ATOM 0 HB2 LEU A 103 -7.682 6.236 8.638 1.00 3.12 H new ATOM 0 HB3 LEU A 103 -6.690 4.890 8.111 1.00 3.12 H new ATOM 0 HG LEU A 103 -4.887 6.803 7.742 1.00 71.41 H new ATOM 0 HD11 LEU A 103 -4.883 8.497 9.513 1.00 52.20 H new ATOM 0 HD12 LEU A 103 -6.211 8.725 8.350 1.00 52.20 H new ATOM 0 HD13 LEU A 103 -6.542 8.031 9.955 1.00 52.20 H new ATOM 0 HD21 LEU A 103 -4.098 6.269 10.102 1.00 23.34 H new ATOM 0 HD22 LEU A 103 -5.727 5.658 10.478 1.00 23.34 H new ATOM 0 HD23 LEU A 103 -4.716 4.819 9.277 1.00 23.34 H new ATOM 952 N ARG A 104 -6.512 8.555 5.925 1.00 54.35 N ATOM 953 CA ARG A 104 -6.731 9.983 5.725 1.00 31.33 C ATOM 954 C ARG A 104 -7.481 10.243 4.418 1.00 24.53 C ATOM 955 O ARG A 104 -8.052 11.322 4.268 1.00 23.41 O ATOM 956 CB ARG A 104 -5.400 10.754 5.881 1.00 20.32 C ATOM 957 CG ARG A 104 -4.622 11.039 4.590 1.00 51.22 C ATOM 958 CD ARG A 104 -4.940 12.407 4.008 1.00 44.22 C ATOM 959 NE ARG A 104 -4.004 13.410 4.514 1.00 5.54 N ATOM 960 CZ ARG A 104 -3.987 14.710 4.221 1.00 74.22 C ATOM 961 NH1 ARG A 104 -4.789 15.213 3.293 1.00 63.52 N ATOM 962 NH2 ARG A 104 -3.172 15.489 4.913 1.00 52.21 N ATOM 0 H ARG A 104 -5.567 8.236 5.713 1.00 54.35 H new ATOM 0 HA ARG A 104 -7.387 10.374 6.502 1.00 31.33 H new ATOM 0 HB2 ARG A 104 -5.611 11.705 6.370 1.00 20.32 H new ATOM 0 HB3 ARG A 104 -4.754 10.188 6.552 1.00 20.32 H new ATOM 0 HG2 ARG A 104 -3.553 10.973 4.792 1.00 51.22 H new ATOM 0 HG3 ARG A 104 -4.855 10.271 3.852 1.00 51.22 H new ATOM 0 HD2 ARG A 104 -4.886 12.367 2.920 1.00 44.22 H new ATOM 0 HD3 ARG A 104 -5.960 12.690 4.266 1.00 44.22 H new ATOM 0 HE ARG A 104 -3.288 13.079 5.160 1.00 5.54 H new ATOM 0 HH11 ARG A 104 -5.433 14.602 2.790 1.00 63.52 H new ATOM 0 HH12 ARG A 104 -4.762 16.211 3.082 1.00 63.52 H new ATOM 0 HH21 ARG A 104 -2.583 15.090 5.644 1.00 52.21 H new ATOM 0 HH22 ARG A 104 -3.133 16.489 4.716 1.00 52.21 H new ATOM 976 N GLY A 105 -7.490 9.274 3.493 1.00 71.35 N ATOM 977 CA GLY A 105 -8.167 9.405 2.215 1.00 1.41 C ATOM 978 C GLY A 105 -7.246 9.947 1.122 1.00 3.33 C ATOM 979 O GLY A 105 -7.746 10.584 0.191 1.00 42.22 O ATOM 0 H GLY A 105 -7.023 8.376 3.620 1.00 71.35 H new ATOM 0 HA2 GLY A 105 -8.555 8.433 1.911 1.00 1.41 H new ATOM 0 HA3 GLY A 105 -9.024 10.069 2.327 1.00 1.41 H new ATOM 983 N ASP A 106 -5.933 9.702 1.225 1.00 52.53 N ATOM 984 CA ASP A 106 -4.912 10.159 0.267 1.00 62.30 C ATOM 985 C ASP A 106 -5.045 9.446 -1.099 1.00 75.20 C ATOM 986 O ASP A 106 -5.971 8.645 -1.288 1.00 30.01 O ATOM 987 CB ASP A 106 -3.522 9.950 0.875 1.00 55.13 C ATOM 988 CG ASP A 106 -2.491 10.928 0.316 1.00 34.44 C ATOM 989 OD1 ASP A 106 -2.366 12.031 0.888 1.00 54.30 O ATOM 990 OD2 ASP A 106 -1.790 10.563 -0.655 1.00 42.34 O ATOM 0 H ASP A 106 -5.539 9.166 1.998 1.00 52.53 H new ATOM 0 HA ASP A 106 -5.062 11.221 0.075 1.00 62.30 H new ATOM 0 HB2 ASP A 106 -3.580 10.066 1.957 1.00 55.13 H new ATOM 0 HB3 ASP A 106 -3.193 8.929 0.681 1.00 55.13 H new ATOM 995 N GLU A 107 -4.182 9.737 -2.078 1.00 73.42 N ATOM 996 CA GLU A 107 -4.200 9.134 -3.418 1.00 50.30 C ATOM 997 C GLU A 107 -3.497 7.779 -3.433 1.00 11.21 C ATOM 998 O GLU A 107 -2.520 7.557 -2.722 1.00 75.51 O ATOM 999 CB GLU A 107 -3.550 10.077 -4.442 1.00 3.33 C ATOM 1000 CG GLU A 107 -4.355 11.367 -4.667 1.00 34.22 C ATOM 1001 CD GLU A 107 -4.034 12.007 -6.021 1.00 15.45 C ATOM 1002 OE1 GLU A 107 -4.554 11.509 -7.052 1.00 1.21 O ATOM 1003 OE2 GLU A 107 -3.285 13.007 -6.103 1.00 62.11 O ATOM 0 H GLU A 107 -3.431 10.417 -1.959 1.00 73.42 H new ATOM 0 HA GLU A 107 -5.243 8.975 -3.692 1.00 50.30 H new ATOM 0 HB2 GLU A 107 -2.547 10.336 -4.103 1.00 3.33 H new ATOM 0 HB3 GLU A 107 -3.441 9.553 -5.392 1.00 3.33 H new ATOM 0 HG2 GLU A 107 -5.421 11.145 -4.613 1.00 34.22 H new ATOM 0 HG3 GLU A 107 -4.137 12.076 -3.869 1.00 34.22 H new ATOM 1010 N PHE A 108 -4.013 6.842 -4.230 1.00 20.42 N ATOM 1011 CA PHE A 108 -3.448 5.510 -4.358 1.00 51.41 C ATOM 1012 C PHE A 108 -3.485 5.105 -5.825 1.00 22.52 C ATOM 1013 O PHE A 108 -4.535 4.756 -6.365 1.00 44.22 O ATOM 1014 CB PHE A 108 -4.204 4.482 -3.495 1.00 13.44 C ATOM 1015 CG PHE A 108 -3.819 4.469 -2.028 1.00 11.11 C ATOM 1016 CD1 PHE A 108 -4.201 5.509 -1.162 1.00 64.35 C ATOM 1017 CD2 PHE A 108 -3.036 3.413 -1.533 1.00 64.52 C ATOM 1018 CE1 PHE A 108 -3.749 5.520 0.167 1.00 33.24 C ATOM 1019 CE2 PHE A 108 -2.614 3.400 -0.195 1.00 34.31 C ATOM 1020 CZ PHE A 108 -2.962 4.459 0.655 1.00 2.42 C ATOM 0 H PHE A 108 -4.841 6.993 -4.806 1.00 20.42 H new ATOM 0 HA PHE A 108 -2.419 5.529 -3.999 1.00 51.41 H new ATOM 0 HB2 PHE A 108 -5.273 4.681 -3.573 1.00 13.44 H new ATOM 0 HB3 PHE A 108 -4.034 3.488 -3.908 1.00 13.44 H new ATOM 0 HD1 PHE A 108 -4.843 6.300 -1.520 1.00 64.35 H new ATOM 0 HD2 PHE A 108 -2.756 2.602 -2.189 1.00 64.52 H new ATOM 0 HE1 PHE A 108 -4.005 6.344 0.817 1.00 33.24 H new ATOM 0 HE2 PHE A 108 -2.023 2.577 0.179 1.00 34.31 H new ATOM 0 HZ PHE A 108 -2.627 4.461 1.682 1.00 2.42 H new ATOM 1030 N SER A 109 -2.309 5.058 -6.432 1.00 44.21 N ATOM 1031 CA SER A 109 -2.106 4.672 -7.825 1.00 62.33 C ATOM 1032 C SER A 109 -2.002 3.147 -7.961 1.00 30.44 C ATOM 1033 O SER A 109 -2.048 2.421 -6.961 1.00 22.33 O ATOM 1034 CB SER A 109 -0.770 5.278 -8.304 1.00 13.43 C ATOM 1035 OG SER A 109 -0.572 6.597 -7.834 1.00 3.23 O ATOM 0 H SER A 109 -1.439 5.295 -5.955 1.00 44.21 H new ATOM 0 HA SER A 109 -2.950 5.030 -8.415 1.00 62.33 H new ATOM 0 HB2 SER A 109 0.053 4.648 -7.965 1.00 13.43 H new ATOM 0 HB3 SER A 109 -0.745 5.277 -9.394 1.00 13.43 H new ATOM 0 HG SER A 109 0.287 6.936 -8.162 1.00 3.23 H new ATOM 1041 N PHE A 110 -1.874 2.657 -9.194 1.00 12.34 N ATOM 1042 CA PHE A 110 -1.697 1.246 -9.526 1.00 50.20 C ATOM 1043 C PHE A 110 -0.268 1.124 -10.069 1.00 54.11 C ATOM 1044 O PHE A 110 0.268 2.112 -10.581 1.00 1.14 O ATOM 1045 CB PHE A 110 -2.698 0.755 -10.584 1.00 54.12 C ATOM 1046 CG PHE A 110 -4.059 0.364 -10.046 1.00 75.45 C ATOM 1047 CD1 PHE A 110 -4.287 -0.951 -9.582 1.00 14.12 C ATOM 1048 CD2 PHE A 110 -5.103 1.310 -10.016 1.00 42.02 C ATOM 1049 CE1 PHE A 110 -5.562 -1.311 -9.113 1.00 11.20 C ATOM 1050 CE2 PHE A 110 -6.366 0.945 -9.519 1.00 1.34 C ATOM 1051 CZ PHE A 110 -6.595 -0.363 -9.060 1.00 31.30 C ATOM 0 H PHE A 110 -1.892 3.256 -10.019 1.00 12.34 H new ATOM 0 HA PHE A 110 -1.870 0.631 -8.643 1.00 50.20 H new ATOM 0 HB2 PHE A 110 -2.830 1.540 -11.329 1.00 54.12 H new ATOM 0 HB3 PHE A 110 -2.267 -0.104 -11.099 1.00 54.12 H new ATOM 0 HD1 PHE A 110 -3.486 -1.675 -9.588 1.00 14.12 H new ATOM 0 HD2 PHE A 110 -4.933 2.314 -10.375 1.00 42.02 H new ATOM 0 HE1 PHE A 110 -5.748 -2.325 -8.791 1.00 11.20 H new ATOM 0 HE2 PHE A 110 -7.163 1.673 -9.490 1.00 1.34 H new ATOM 0 HZ PHE A 110 -7.563 -0.638 -8.668 1.00 31.30 H new ATOM 1061 N PRO A 111 0.357 -0.059 -9.959 1.00 53.44 N ATOM 1062 CA PRO A 111 1.710 -0.276 -10.453 1.00 12.04 C ATOM 1063 C PRO A 111 1.757 -0.290 -11.986 1.00 52.12 C ATOM 1064 O PRO A 111 0.714 -0.433 -12.634 1.00 43.12 O ATOM 1065 CB PRO A 111 2.140 -1.633 -9.884 1.00 22.32 C ATOM 1066 CG PRO A 111 0.820 -2.363 -9.659 1.00 0.42 C ATOM 1067 CD PRO A 111 -0.193 -1.266 -9.367 1.00 42.11 C ATOM 0 HA PRO A 111 2.376 0.528 -10.141 1.00 12.04 H new ATOM 0 HB2 PRO A 111 2.783 -2.173 -10.579 1.00 22.32 H new ATOM 0 HB3 PRO A 111 2.699 -1.519 -8.955 1.00 22.32 H new ATOM 0 HG2 PRO A 111 0.534 -2.940 -10.538 1.00 0.42 H new ATOM 0 HG3 PRO A 111 0.893 -3.064 -8.827 1.00 0.42 H new ATOM 0 HD2 PRO A 111 -1.165 -1.506 -9.797 1.00 42.11 H new ATOM 0 HD3 PRO A 111 -0.341 -1.144 -8.294 1.00 42.11 H new ATOM 1075 N PRO A 112 2.962 -0.195 -12.575 1.00 11.01 N ATOM 1076 CA PRO A 112 3.127 -0.217 -14.018 1.00 54.11 C ATOM 1077 C PRO A 112 2.656 -1.563 -14.568 1.00 63.30 C ATOM 1078 O PRO A 112 2.660 -2.585 -13.870 1.00 21.51 O ATOM 1079 CB PRO A 112 4.623 -0.005 -14.266 1.00 60.23 C ATOM 1080 CG PRO A 112 5.258 -0.514 -12.974 1.00 20.00 C ATOM 1081 CD PRO A 112 4.258 -0.034 -11.931 1.00 24.11 C ATOM 0 HA PRO A 112 2.539 0.553 -14.517 1.00 54.11 H new ATOM 0 HB2 PRO A 112 4.972 -0.563 -15.135 1.00 60.23 H new ATOM 0 HB3 PRO A 112 4.858 1.044 -14.446 1.00 60.23 H new ATOM 0 HG2 PRO A 112 5.365 -1.599 -12.970 1.00 20.00 H new ATOM 0 HG3 PRO A 112 6.251 -0.095 -12.813 1.00 20.00 H new ATOM 0 HD2 PRO A 112 4.324 -0.623 -11.016 1.00 24.11 H new ATOM 0 HD3 PRO A 112 4.439 1.005 -11.655 1.00 24.11 H new ATOM 1089 N GLY A 113 2.284 -1.571 -15.841 1.00 14.10 N ATOM 1090 CA GLY A 113 1.799 -2.746 -16.535 1.00 10.31 C ATOM 1091 C GLY A 113 0.317 -2.984 -16.267 1.00 74.22 C ATOM 1092 O GLY A 113 -0.356 -3.529 -17.145 1.00 4.01 O ATOM 0 H GLY A 113 2.314 -0.738 -16.430 1.00 14.10 H new ATOM 0 HA2 GLY A 113 1.961 -2.629 -17.606 1.00 10.31 H new ATOM 0 HA3 GLY A 113 2.371 -3.618 -16.219 1.00 10.31 H new ATOM 1096 N PHE A 114 -0.216 -2.570 -15.111 1.00 63.33 N ATOM 1097 CA PHE A 114 -1.619 -2.778 -14.804 1.00 72.22 C ATOM 1098 C PHE A 114 -2.510 -1.956 -15.731 1.00 13.40 C ATOM 1099 O PHE A 114 -3.444 -2.490 -16.335 1.00 54.03 O ATOM 1100 CB PHE A 114 -1.938 -2.434 -13.343 1.00 21.12 C ATOM 1101 CG PHE A 114 -3.319 -2.945 -12.994 1.00 62.31 C ATOM 1102 CD1 PHE A 114 -3.570 -4.333 -13.024 1.00 42.41 C ATOM 1103 CD2 PHE A 114 -4.375 -2.043 -12.754 1.00 65.42 C ATOM 1104 CE1 PHE A 114 -4.872 -4.816 -12.804 1.00 50.43 C ATOM 1105 CE2 PHE A 114 -5.668 -2.538 -12.503 1.00 74.31 C ATOM 1106 CZ PHE A 114 -5.925 -3.922 -12.526 1.00 34.44 C ATOM 0 H PHE A 114 0.310 -2.091 -14.380 1.00 63.33 H new ATOM 0 HA PHE A 114 -1.824 -3.837 -14.960 1.00 72.22 H new ATOM 0 HB2 PHE A 114 -1.195 -2.882 -12.682 1.00 21.12 H new ATOM 0 HB3 PHE A 114 -1.889 -1.355 -13.193 1.00 21.12 H new ATOM 0 HD1 PHE A 114 -2.763 -5.024 -13.216 1.00 42.41 H new ATOM 0 HD2 PHE A 114 -4.193 -0.978 -12.763 1.00 65.42 H new ATOM 0 HE1 PHE A 114 -5.066 -5.878 -12.848 1.00 50.43 H new ATOM 0 HE2 PHE A 114 -6.472 -1.849 -12.290 1.00 74.31 H new ATOM 0 HZ PHE A 114 -6.920 -4.295 -12.332 1.00 34.44 H new ATOM 1116 N GLU A 115 -2.254 -0.654 -15.798 1.00 64.33 N ATOM 1117 CA GLU A 115 -2.989 0.301 -16.611 1.00 51.22 C ATOM 1118 C GLU A 115 -2.625 0.041 -18.063 1.00 12.03 C ATOM 1119 O GLU A 115 -1.442 0.224 -18.420 1.00 72.41 O ATOM 1120 CB GLU A 115 -2.637 1.727 -16.157 1.00 64.01 C ATOM 1121 CG GLU A 115 -3.057 2.041 -14.704 1.00 1.20 C ATOM 1122 CD GLU A 115 -4.528 2.461 -14.566 1.00 50.13 C ATOM 1123 OE1 GLU A 115 -4.809 3.675 -14.722 1.00 43.32 O ATOM 1124 OE2 GLU A 115 -5.397 1.598 -14.299 1.00 54.35 O ATOM 0 H GLU A 115 -1.499 -0.221 -15.266 1.00 64.33 H new ATOM 0 HA GLU A 115 -4.068 0.191 -16.499 1.00 51.22 H new ATOM 0 HB2 GLU A 115 -1.561 1.874 -16.254 1.00 64.01 H new ATOM 0 HB3 GLU A 115 -3.118 2.440 -16.826 1.00 64.01 H new ATOM 0 HG2 GLU A 115 -2.879 1.161 -14.085 1.00 1.20 H new ATOM 0 HG3 GLU A 115 -2.422 2.837 -14.315 1.00 1.20 H new TER 1131 GLU A 115