USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 721 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 53 SER OG : rot 139:sc= 0.352 USER MOD Set 1.2: A 79 TYR OH : rot 30:sc= 0.373 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.125 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -170:sc= 0.0157 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00135) USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= 1.61 (180deg=0.963) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 152:sc= -0.0562 (180deg=-0.683) USER MOD Single : A 66 GLN : amide:sc= 0.0351 K(o=0.035,f=-0.63) USER MOD Single : A 70 SER OG : rot 28:sc= 0.0365 USER MOD Single : A 71 THR OG1 : rot -42:sc= 0.0345 USER MOD Single : A 102 HIS : no HD1:sc= -0.45 X(o=-0.45,f=0.0032) USER MOD Single : A 105 THR OG1 : rot -39:sc= 0.512 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.065 -15.900 14.148 1.00 50.42 N ATOM 2 CA GLY A 1 -10.907 -15.256 13.514 1.00 10.11 C ATOM 3 C GLY A 1 -11.353 -14.373 12.361 1.00 63.21 C ATOM 4 O GLY A 1 -12.499 -14.472 11.915 1.00 14.01 O ATOM 0 H1 GLY A 1 -12.164 -15.553 15.123 1.00 50.42 H new ATOM 0 H2 GLY A 1 -12.926 -15.673 13.611 1.00 50.42 H new ATOM 0 H3 GLY A 1 -11.926 -16.931 14.159 1.00 50.42 H new ATOM 0 HA2 GLY A 1 -10.368 -14.659 14.249 1.00 10.11 H new ATOM 0 HA3 GLY A 1 -10.215 -16.016 13.151 1.00 10.11 H new ATOM 8 N MET A 2 -10.476 -13.492 11.867 1.00 64.51 N ATOM 9 CA MET A 2 -10.787 -12.691 10.682 1.00 4.02 C ATOM 10 C MET A 2 -10.794 -13.607 9.454 1.00 41.42 C ATOM 11 O MET A 2 -10.032 -14.578 9.389 1.00 40.13 O ATOM 12 CB MET A 2 -9.765 -11.564 10.439 1.00 35.52 C ATOM 13 CG MET A 2 -9.516 -10.600 11.604 1.00 70.42 C ATOM 14 SD MET A 2 -8.371 -11.241 12.859 1.00 74.52 S ATOM 15 CE MET A 2 -7.682 -9.697 13.524 1.00 43.34 C ATOM 0 H MET A 2 -9.554 -13.318 12.266 1.00 64.51 H new ATOM 0 HA MET A 2 -11.760 -12.229 10.849 1.00 4.02 H new ATOM 0 HB2 MET A 2 -8.814 -12.020 10.165 1.00 35.52 H new ATOM 0 HB3 MET A 2 -10.098 -10.981 9.580 1.00 35.52 H new ATOM 0 HG2 MET A 2 -9.120 -9.664 11.210 1.00 70.42 H new ATOM 0 HG3 MET A 2 -10.469 -10.368 12.080 1.00 70.42 H new ATOM 0 HE1 MET A 2 -6.960 -9.928 14.307 1.00 43.34 H new ATOM 0 HE2 MET A 2 -7.186 -9.146 12.725 1.00 43.34 H new ATOM 0 HE3 MET A 2 -8.486 -9.089 13.939 1.00 43.34 H new ATOM 23 N LEU A 3 -11.555 -13.243 8.424 1.00 14.03 N ATOM 24 CA LEU A 3 -11.418 -13.798 7.079 1.00 61.13 C ATOM 25 C LEU A 3 -11.506 -12.647 6.077 1.00 53.00 C ATOM 26 O LEU A 3 -12.249 -12.698 5.102 1.00 32.54 O ATOM 27 CB LEU A 3 -12.457 -14.916 6.856 1.00 64.51 C ATOM 28 CG LEU A 3 -11.978 -16.082 5.964 1.00 62.24 C ATOM 29 CD1 LEU A 3 -11.459 -15.663 4.586 1.00 72.41 C ATOM 30 CD2 LEU A 3 -10.893 -16.891 6.681 1.00 12.35 C ATOM 0 H LEU A 3 -12.294 -12.545 8.501 1.00 14.03 H new ATOM 0 HA LEU A 3 -10.449 -14.277 6.938 1.00 61.13 H new ATOM 0 HB2 LEU A 3 -12.751 -15.317 7.826 1.00 64.51 H new ATOM 0 HB3 LEU A 3 -13.349 -14.478 6.408 1.00 64.51 H new ATOM 0 HG LEU A 3 -12.868 -16.686 5.788 1.00 62.24 H new ATOM 0 HD11 LEU A 3 -11.145 -16.547 4.031 1.00 72.41 H new ATOM 0 HD12 LEU A 3 -12.252 -15.153 4.038 1.00 72.41 H new ATOM 0 HD13 LEU A 3 -10.610 -14.990 4.706 1.00 72.41 H new ATOM 0 HD21 LEU A 3 -10.566 -17.709 6.040 1.00 12.35 H new ATOM 0 HD22 LEU A 3 -10.045 -16.244 6.905 1.00 12.35 H new ATOM 0 HD23 LEU A 3 -11.295 -17.296 7.609 1.00 12.35 H new ATOM 41 N LEU A 4 -10.809 -11.557 6.388 1.00 54.11 N ATOM 42 CA LEU A 4 -10.746 -10.375 5.547 1.00 32.25 C ATOM 43 C LEU A 4 -10.012 -10.767 4.269 1.00 53.12 C ATOM 44 O LEU A 4 -8.863 -11.223 4.325 1.00 15.04 O ATOM 45 CB LEU A 4 -10.031 -9.219 6.259 1.00 44.24 C ATOM 46 CG LEU A 4 -10.894 -8.539 7.337 1.00 54.20 C ATOM 47 CD1 LEU A 4 -10.040 -7.845 8.403 1.00 65.40 C ATOM 48 CD2 LEU A 4 -11.819 -7.502 6.694 1.00 50.30 C ATOM 0 H LEU A 4 -10.265 -11.474 7.247 1.00 54.11 H new ATOM 0 HA LEU A 4 -11.752 -10.022 5.319 1.00 32.25 H new ATOM 0 HB2 LEU A 4 -9.117 -9.595 6.719 1.00 44.24 H new ATOM 0 HB3 LEU A 4 -9.733 -8.475 5.520 1.00 44.24 H new ATOM 0 HG LEU A 4 -11.479 -9.322 7.820 1.00 54.20 H new ATOM 0 HD11 LEU A 4 -10.690 -7.379 9.143 1.00 65.40 H new ATOM 0 HD12 LEU A 4 -9.401 -8.580 8.893 1.00 65.40 H new ATOM 0 HD13 LEU A 4 -9.420 -7.082 7.932 1.00 65.40 H new ATOM 0 HD21 LEU A 4 -12.425 -7.027 7.465 1.00 50.30 H new ATOM 0 HD22 LEU A 4 -11.220 -6.746 6.186 1.00 50.30 H new ATOM 0 HD23 LEU A 4 -12.471 -7.994 5.972 1.00 50.30 H new ATOM 59 N SER A 5 -10.703 -10.622 3.145 1.00 42.44 N ATOM 60 CA SER A 5 -10.170 -10.902 1.826 1.00 43.20 C ATOM 61 C SER A 5 -9.514 -9.646 1.251 1.00 74.20 C ATOM 62 O SER A 5 -9.726 -8.544 1.760 1.00 54.13 O ATOM 63 CB SER A 5 -11.285 -11.420 0.923 1.00 43.44 C ATOM 64 OG SER A 5 -11.954 -12.516 1.528 1.00 4.03 O ATOM 0 H SER A 5 -11.670 -10.299 3.129 1.00 42.44 H new ATOM 0 HA SER A 5 -9.404 -11.674 1.893 1.00 43.20 H new ATOM 0 HB2 SER A 5 -11.997 -10.620 0.721 1.00 43.44 H new ATOM 0 HB3 SER A 5 -10.869 -11.727 -0.037 1.00 43.44 H new ATOM 0 HG SER A 5 -12.666 -12.833 0.934 1.00 4.03 H new ATOM 69 N THR A 6 -8.705 -9.808 0.204 1.00 64.51 N ATOM 70 CA THR A 6 -7.857 -8.750 -0.314 1.00 61.21 C ATOM 71 C THR A 6 -8.673 -7.535 -0.754 1.00 61.51 C ATOM 72 O THR A 6 -8.348 -6.400 -0.392 1.00 71.21 O ATOM 73 CB THR A 6 -6.983 -9.275 -1.464 1.00 13.14 C ATOM 74 OG1 THR A 6 -6.509 -10.591 -1.234 1.00 1.03 O ATOM 75 CG2 THR A 6 -5.835 -8.290 -1.686 1.00 4.14 C ATOM 0 H THR A 6 -8.624 -10.686 -0.308 1.00 64.51 H new ATOM 0 HA THR A 6 -7.203 -8.422 0.494 1.00 61.21 H new ATOM 0 HB THR A 6 -7.592 -9.343 -2.366 1.00 13.14 H new ATOM 0 HG1 THR A 6 -5.837 -10.819 -1.910 1.00 1.03 H new ATOM 0 HG21 THR A 6 -5.203 -8.646 -2.499 1.00 4.14 H new ATOM 0 HG22 THR A 6 -6.240 -7.311 -1.943 1.00 4.14 H new ATOM 0 HG23 THR A 6 -5.243 -8.210 -0.774 1.00 4.14 H new ATOM 83 N ASP A 7 -9.729 -7.770 -1.537 1.00 60.51 N ATOM 84 CA ASP A 7 -10.562 -6.694 -2.055 1.00 71.50 C ATOM 85 C ASP A 7 -11.269 -5.943 -0.930 1.00 24.55 C ATOM 86 O ASP A 7 -11.432 -4.732 -1.054 1.00 3.01 O ATOM 87 CB ASP A 7 -11.545 -7.168 -3.140 1.00 75.51 C ATOM 88 CG ASP A 7 -12.656 -8.119 -2.695 1.00 1.45 C ATOM 89 OD1 ASP A 7 -12.590 -8.674 -1.578 1.00 44.03 O ATOM 90 OD2 ASP A 7 -13.529 -8.408 -3.547 1.00 51.13 O ATOM 0 H ASP A 7 -10.024 -8.703 -1.825 1.00 60.51 H new ATOM 0 HA ASP A 7 -9.890 -5.990 -2.547 1.00 71.50 H new ATOM 0 HB2 ASP A 7 -12.009 -6.288 -3.586 1.00 75.51 H new ATOM 0 HB3 ASP A 7 -10.972 -7.659 -3.926 1.00 75.51 H new ATOM 94 N ILE A 8 -11.593 -6.598 0.191 1.00 12.25 N ATOM 95 CA ILE A 8 -12.232 -5.965 1.338 1.00 53.11 C ATOM 96 C ILE A 8 -11.352 -4.848 1.882 1.00 12.03 C ATOM 97 O ILE A 8 -11.844 -3.737 2.086 1.00 14.35 O ATOM 98 CB ILE A 8 -12.561 -6.965 2.460 1.00 11.05 C ATOM 99 CG1 ILE A 8 -13.385 -8.165 1.976 1.00 54.02 C ATOM 100 CG2 ILE A 8 -13.283 -6.217 3.596 1.00 22.23 C ATOM 101 CD1 ILE A 8 -14.671 -7.845 1.215 1.00 44.21 C ATOM 0 H ILE A 8 -11.415 -7.594 0.323 1.00 12.25 H new ATOM 0 HA ILE A 8 -13.177 -5.552 0.985 1.00 53.11 H new ATOM 0 HB ILE A 8 -11.623 -7.384 2.824 1.00 11.05 H new ATOM 0 HG12 ILE A 8 -12.752 -8.777 1.334 1.00 54.02 H new ATOM 0 HG13 ILE A 8 -13.644 -8.773 2.843 1.00 54.02 H new ATOM 0 HG21 ILE A 8 -13.522 -6.916 4.398 1.00 22.23 H new ATOM 0 HG22 ILE A 8 -12.636 -5.429 3.982 1.00 22.23 H new ATOM 0 HG23 ILE A 8 -14.203 -5.776 3.214 1.00 22.23 H new ATOM 0 HD11 ILE A 8 -15.164 -8.774 0.926 1.00 44.21 H new ATOM 0 HD12 ILE A 8 -15.337 -7.264 1.854 1.00 44.21 H new ATOM 0 HD13 ILE A 8 -14.431 -7.268 0.322 1.00 44.21 H new ATOM 112 N TRP A 9 -10.074 -5.137 2.147 1.00 62.13 N ATOM 113 CA TRP A 9 -9.186 -4.155 2.746 1.00 22.25 C ATOM 114 C TRP A 9 -9.093 -2.932 1.867 1.00 35.45 C ATOM 115 O TRP A 9 -9.300 -1.825 2.363 1.00 71.11 O ATOM 116 CB TRP A 9 -7.784 -4.707 2.941 1.00 14.05 C ATOM 117 CG TRP A 9 -7.635 -5.788 3.949 1.00 44.24 C ATOM 118 CD1 TRP A 9 -8.158 -5.815 5.197 1.00 24.13 C ATOM 119 CD2 TRP A 9 -6.918 -7.040 3.775 1.00 11.04 C ATOM 120 NE1 TRP A 9 -7.718 -6.964 5.828 1.00 1.44 N ATOM 121 CE2 TRP A 9 -7.054 -7.804 4.960 1.00 0.35 C ATOM 122 CE3 TRP A 9 -6.198 -7.614 2.711 1.00 62.32 C ATOM 123 CZ2 TRP A 9 -6.562 -9.110 5.056 1.00 63.31 C ATOM 124 CZ3 TRP A 9 -5.635 -8.901 2.819 1.00 73.52 C ATOM 125 CH2 TRP A 9 -5.832 -9.656 3.988 1.00 75.41 C ATOM 0 H TRP A 9 -9.640 -6.040 1.955 1.00 62.13 H new ATOM 0 HA TRP A 9 -9.605 -3.898 3.719 1.00 22.25 H new ATOM 0 HB2 TRP A 9 -7.428 -5.083 1.982 1.00 14.05 H new ATOM 0 HB3 TRP A 9 -7.129 -3.883 3.224 1.00 14.05 H new ATOM 0 HD1 TRP A 9 -8.808 -5.067 5.627 1.00 24.13 H new ATOM 0 HE1 TRP A 9 -7.867 -7.166 6.817 1.00 1.44 H new ATOM 0 HE3 TRP A 9 -6.075 -7.057 1.794 1.00 62.32 H new ATOM 0 HZ2 TRP A 9 -6.742 -9.695 5.946 1.00 63.31 H new ATOM 0 HZ3 TRP A 9 -5.053 -9.307 2.005 1.00 73.52 H new ATOM 0 HH2 TRP A 9 -5.423 -10.653 4.065 1.00 75.41 H new ATOM 135 N VAL A 10 -8.785 -3.133 0.584 1.00 35.53 N ATOM 136 CA VAL A 10 -8.661 -2.031 -0.353 1.00 0.04 C ATOM 137 C VAL A 10 -9.998 -1.299 -0.470 1.00 73.14 C ATOM 138 O VAL A 10 -10.000 -0.074 -0.525 1.00 71.21 O ATOM 139 CB VAL A 10 -8.146 -2.567 -1.701 1.00 51.13 C ATOM 140 CG1 VAL A 10 -7.947 -1.418 -2.697 1.00 11.21 C ATOM 141 CG2 VAL A 10 -6.833 -3.348 -1.509 1.00 31.32 C ATOM 0 H VAL A 10 -8.618 -4.053 0.176 1.00 35.53 H new ATOM 0 HA VAL A 10 -7.934 -1.301 0.003 1.00 0.04 H new ATOM 0 HB VAL A 10 -8.894 -3.248 -2.106 1.00 51.13 H new ATOM 0 HG11 VAL A 10 -7.583 -1.816 -3.644 1.00 11.21 H new ATOM 0 HG12 VAL A 10 -8.897 -0.908 -2.859 1.00 11.21 H new ATOM 0 HG13 VAL A 10 -7.220 -0.711 -2.297 1.00 11.21 H new ATOM 0 HG21 VAL A 10 -6.486 -3.718 -2.473 1.00 31.32 H new ATOM 0 HG22 VAL A 10 -6.078 -2.690 -1.080 1.00 31.32 H new ATOM 0 HG23 VAL A 10 -7.005 -4.189 -0.838 1.00 31.32 H new ATOM 151 N ALA A 11 -11.135 -2.000 -0.465 1.00 54.31 N ATOM 152 CA ALA A 11 -12.437 -1.363 -0.561 1.00 31.22 C ATOM 153 C ALA A 11 -12.680 -0.427 0.621 1.00 41.31 C ATOM 154 O ALA A 11 -13.114 0.709 0.429 1.00 62.10 O ATOM 155 CB ALA A 11 -13.544 -2.426 -0.630 1.00 42.42 C ATOM 0 H ALA A 11 -11.172 -3.017 -0.395 1.00 54.31 H new ATOM 0 HA ALA A 11 -12.456 -0.768 -1.474 1.00 31.22 H new ATOM 0 HB1 ALA A 11 -14.515 -1.936 -0.702 1.00 42.42 H new ATOM 0 HB2 ALA A 11 -13.390 -3.056 -1.506 1.00 42.42 H new ATOM 0 HB3 ALA A 11 -13.514 -3.042 0.269 1.00 42.42 H new ATOM 161 N ALA A 12 -12.410 -0.906 1.836 1.00 4.24 N ATOM 162 CA ALA A 12 -12.583 -0.126 3.045 1.00 44.12 C ATOM 163 C ALA A 12 -11.588 1.029 3.064 1.00 24.21 C ATOM 164 O ALA A 12 -11.972 2.168 3.325 1.00 4.33 O ATOM 165 CB ALA A 12 -12.456 -1.037 4.274 1.00 12.11 C ATOM 0 H ALA A 12 -12.064 -1.851 2.001 1.00 4.24 H new ATOM 0 HA ALA A 12 -13.581 0.311 3.070 1.00 44.12 H new ATOM 0 HB1 ALA A 12 -12.587 -0.446 5.180 1.00 12.11 H new ATOM 0 HB2 ALA A 12 -13.221 -1.812 4.233 1.00 12.11 H new ATOM 0 HB3 ALA A 12 -11.470 -1.501 4.283 1.00 12.11 H new ATOM 171 N LEU A 13 -10.318 0.737 2.774 1.00 12.14 N ATOM 172 CA LEU A 13 -9.235 1.689 2.734 1.00 65.12 C ATOM 173 C LEU A 13 -9.570 2.793 1.782 1.00 21.31 C ATOM 174 O LEU A 13 -9.618 3.913 2.257 1.00 70.12 O ATOM 175 CB LEU A 13 -7.917 1.027 2.387 1.00 43.10 C ATOM 176 CG LEU A 13 -6.755 1.954 1.980 1.00 20.04 C ATOM 177 CD1 LEU A 13 -6.817 3.448 2.302 1.00 10.54 C ATOM 178 CD2 LEU A 13 -5.513 1.552 2.760 1.00 40.34 C ATOM 0 H LEU A 13 -10.017 -0.212 2.553 1.00 12.14 H new ATOM 0 HA LEU A 13 -9.110 2.115 3.729 1.00 65.12 H new ATOM 0 HB2 LEU A 13 -7.596 0.439 3.247 1.00 43.10 H new ATOM 0 HB3 LEU A 13 -8.094 0.327 1.570 1.00 43.10 H new ATOM 0 HG LEU A 13 -6.779 1.832 0.897 1.00 20.04 H new ATOM 0 HD11 LEU A 13 -5.912 3.936 1.940 1.00 10.54 H new ATOM 0 HD12 LEU A 13 -7.687 3.889 1.816 1.00 10.54 H new ATOM 0 HD13 LEU A 13 -6.896 3.585 3.380 1.00 10.54 H new ATOM 0 HD21 LEU A 13 -4.683 2.201 2.481 1.00 40.34 H new ATOM 0 HD22 LEU A 13 -5.707 1.649 3.828 1.00 40.34 H new ATOM 0 HD23 LEU A 13 -5.258 0.517 2.530 1.00 40.34 H new ATOM 189 N ILE A 14 -9.776 2.523 0.495 1.00 52.33 N ATOM 190 CA ILE A 14 -9.870 3.584 -0.507 1.00 41.33 C ATOM 191 C ILE A 14 -10.918 4.604 -0.072 1.00 13.15 C ATOM 192 O ILE A 14 -10.698 5.808 -0.162 1.00 23.05 O ATOM 193 CB ILE A 14 -10.148 2.963 -1.893 1.00 4.25 C ATOM 194 CG1 ILE A 14 -8.878 2.305 -2.466 1.00 62.24 C ATOM 195 CG2 ILE A 14 -10.733 3.959 -2.915 1.00 70.41 C ATOM 196 CD1 ILE A 14 -7.741 3.264 -2.808 1.00 54.50 C ATOM 0 H ILE A 14 -9.881 1.580 0.121 1.00 52.33 H new ATOM 0 HA ILE A 14 -8.927 4.124 -0.592 1.00 41.33 H new ATOM 0 HB ILE A 14 -10.912 2.204 -1.726 1.00 4.25 H new ATOM 0 HG12 ILE A 14 -8.510 1.575 -1.745 1.00 62.24 H new ATOM 0 HG13 ILE A 14 -9.149 1.754 -3.367 1.00 62.24 H new ATOM 0 HG21 ILE A 14 -10.901 3.450 -3.864 1.00 70.41 H new ATOM 0 HG22 ILE A 14 -11.679 4.351 -2.541 1.00 70.41 H new ATOM 0 HG23 ILE A 14 -10.033 4.781 -3.064 1.00 70.41 H new ATOM 0 HD11 ILE A 14 -6.896 2.700 -3.203 1.00 54.50 H new ATOM 0 HD12 ILE A 14 -8.081 3.980 -3.556 1.00 54.50 H new ATOM 0 HD13 ILE A 14 -7.432 3.798 -1.909 1.00 54.50 H new ATOM 207 N ARG A 15 -11.989 4.098 0.532 1.00 44.14 N ATOM 208 CA ARG A 15 -13.000 4.943 1.143 1.00 32.13 C ATOM 209 C ARG A 15 -12.397 5.755 2.291 1.00 34.41 C ATOM 210 O ARG A 15 -12.427 6.979 2.244 1.00 1.12 O ATOM 211 CB ARG A 15 -14.241 4.140 1.563 1.00 53.02 C ATOM 212 CG ARG A 15 -15.018 3.575 0.357 1.00 63.53 C ATOM 213 CD ARG A 15 -16.391 4.226 0.127 1.00 63.40 C ATOM 214 NE ARG A 15 -16.305 5.676 -0.106 1.00 53.14 N ATOM 215 CZ ARG A 15 -17.172 6.448 -0.770 1.00 73.24 C ATOM 216 NH1 ARG A 15 -18.204 5.923 -1.418 1.00 34.25 N ATOM 217 NH2 ARG A 15 -16.987 7.757 -0.784 1.00 31.31 N ATOM 0 H ARG A 15 -12.176 3.098 0.610 1.00 44.14 H new ATOM 0 HA ARG A 15 -13.350 5.654 0.395 1.00 32.13 H new ATOM 0 HB2 ARG A 15 -13.935 3.318 2.211 1.00 53.02 H new ATOM 0 HB3 ARG A 15 -14.902 4.779 2.149 1.00 53.02 H new ATOM 0 HG2 ARG A 15 -14.414 3.702 -0.541 1.00 63.53 H new ATOM 0 HG3 ARG A 15 -15.156 2.503 0.499 1.00 63.53 H new ATOM 0 HD2 ARG A 15 -16.873 3.753 -0.729 1.00 63.40 H new ATOM 0 HD3 ARG A 15 -17.026 4.039 0.993 1.00 63.40 H new ATOM 0 HE ARG A 15 -15.489 6.147 0.284 1.00 53.14 H new ATOM 0 HH11 ARG A 15 -18.347 4.913 -1.416 1.00 34.25 H new ATOM 0 HH12 ARG A 15 -18.854 6.529 -1.918 1.00 34.25 H new ATOM 0 HH21 ARG A 15 -16.192 8.165 -0.293 1.00 31.31 H new ATOM 0 HH22 ARG A 15 -17.640 8.359 -1.286 1.00 31.31 H new ATOM 228 N ARG A 16 -11.830 5.096 3.305 1.00 14.21 N ATOM 229 CA ARG A 16 -11.104 5.686 4.441 1.00 30.23 C ATOM 230 C ARG A 16 -10.061 6.740 4.028 1.00 53.33 C ATOM 231 O ARG A 16 -10.196 7.868 4.507 1.00 50.33 O ATOM 232 CB ARG A 16 -10.479 4.571 5.302 1.00 74.40 C ATOM 233 CG ARG A 16 -11.525 3.694 6.015 1.00 71.22 C ATOM 234 CD ARG A 16 -11.006 2.276 6.331 1.00 11.35 C ATOM 235 NE ARG A 16 -10.520 2.099 7.710 1.00 11.13 N ATOM 236 CZ ARG A 16 -9.337 2.437 8.233 1.00 42.32 C ATOM 237 NH1 ARG A 16 -8.460 3.159 7.548 1.00 51.53 N ATOM 238 NH2 ARG A 16 -9.025 2.066 9.468 1.00 71.04 N ATOM 0 H ARG A 16 -11.865 4.078 3.362 1.00 14.21 H new ATOM 0 HA ARG A 16 -11.835 6.231 5.038 1.00 30.23 H new ATOM 0 HB2 ARG A 16 -9.856 3.939 4.669 1.00 74.40 H new ATOM 0 HB3 ARG A 16 -9.823 5.021 6.047 1.00 74.40 H new ATOM 0 HG2 ARG A 16 -11.827 4.180 6.943 1.00 71.22 H new ATOM 0 HG3 ARG A 16 -12.415 3.619 5.390 1.00 71.22 H new ATOM 0 HD2 ARG A 16 -11.807 1.560 6.146 1.00 11.35 H new ATOM 0 HD3 ARG A 16 -10.198 2.036 5.640 1.00 11.35 H new ATOM 0 HE ARG A 16 -11.176 1.658 8.355 1.00 11.13 H new ATOM 0 HH11 ARG A 16 -8.682 3.468 6.602 1.00 51.53 H new ATOM 0 HH12 ARG A 16 -7.563 3.405 7.968 1.00 51.53 H new ATOM 0 HH21 ARG A 16 -9.688 1.522 10.020 1.00 71.04 H new ATOM 0 HH22 ARG A 16 -8.122 2.325 9.865 1.00 71.04 H new ATOM 249 N ALA A 17 -9.047 6.415 3.203 1.00 72.40 N ATOM 250 CA ALA A 17 -8.141 7.415 2.642 1.00 31.11 C ATOM 251 C ALA A 17 -8.865 8.618 2.060 1.00 43.14 C ATOM 252 O ALA A 17 -8.598 9.749 2.459 1.00 14.55 O ATOM 253 CB ALA A 17 -7.282 6.807 1.537 1.00 10.41 C ATOM 0 H ALA A 17 -8.841 5.459 2.914 1.00 72.40 H new ATOM 0 HA ALA A 17 -7.526 7.751 3.476 1.00 31.11 H new ATOM 0 HB1 ALA A 17 -6.615 7.569 1.134 1.00 10.41 H new ATOM 0 HB2 ALA A 17 -6.691 5.987 1.945 1.00 10.41 H new ATOM 0 HB3 ALA A 17 -7.925 6.430 0.742 1.00 10.41 H new ATOM 259 N GLU A 18 -9.750 8.388 1.090 1.00 53.52 N ATOM 260 CA GLU A 18 -10.370 9.492 0.378 1.00 25.01 C ATOM 261 C GLU A 18 -11.224 10.337 1.341 1.00 24.04 C ATOM 262 O GLU A 18 -11.380 11.538 1.123 1.00 50.44 O ATOM 263 CB GLU A 18 -11.207 8.976 -0.802 1.00 10.22 C ATOM 264 CG GLU A 18 -10.447 8.500 -2.058 1.00 54.21 C ATOM 265 CD GLU A 18 -11.400 8.044 -3.184 1.00 5.11 C ATOM 266 OE1 GLU A 18 -12.450 7.409 -2.911 1.00 62.31 O ATOM 267 OE2 GLU A 18 -11.143 8.330 -4.371 1.00 13.15 O ATOM 0 H GLU A 18 -10.047 7.460 0.787 1.00 53.52 H new ATOM 0 HA GLU A 18 -9.585 10.130 -0.027 1.00 25.01 H new ATOM 0 HB2 GLU A 18 -11.818 8.148 -0.444 1.00 10.22 H new ATOM 0 HB3 GLU A 18 -11.890 9.770 -1.103 1.00 10.22 H new ATOM 0 HG2 GLU A 18 -9.815 9.309 -2.425 1.00 54.21 H new ATOM 0 HG3 GLU A 18 -9.786 7.676 -1.789 1.00 54.21 H new ATOM 272 N LEU A 19 -11.741 9.742 2.425 1.00 2.25 N ATOM 273 CA LEU A 19 -12.482 10.405 3.504 1.00 73.40 C ATOM 274 C LEU A 19 -11.626 11.374 4.303 1.00 51.41 C ATOM 275 O LEU A 19 -12.140 12.288 4.948 1.00 72.12 O ATOM 276 CB LEU A 19 -13.024 9.359 4.499 1.00 2.32 C ATOM 277 CG LEU A 19 -14.546 9.413 4.566 1.00 3.23 C ATOM 278 CD1 LEU A 19 -15.103 8.095 5.114 1.00 70.24 C ATOM 279 CD2 LEU A 19 -15.020 10.582 5.436 1.00 25.04 C ATOM 0 H LEU A 19 -11.649 8.738 2.579 1.00 2.25 H new ATOM 0 HA LEU A 19 -13.285 10.957 3.016 1.00 73.40 H new ATOM 0 HB2 LEU A 19 -12.704 8.362 4.196 1.00 2.32 H new ATOM 0 HB3 LEU A 19 -12.605 9.541 5.489 1.00 2.32 H new ATOM 0 HG LEU A 19 -14.920 9.565 3.554 1.00 3.23 H new ATOM 0 HD11 LEU A 19 -16.191 8.149 5.156 1.00 70.24 H new ATOM 0 HD12 LEU A 19 -14.805 7.275 4.461 1.00 70.24 H new ATOM 0 HD13 LEU A 19 -14.710 7.922 6.116 1.00 70.24 H new ATOM 0 HD21 LEU A 19 -16.110 10.595 5.465 1.00 25.04 H new ATOM 0 HD22 LEU A 19 -14.631 10.464 6.447 1.00 25.04 H new ATOM 0 HD23 LEU A 19 -14.657 11.520 5.015 1.00 25.04 H new ATOM 290 N GLY A 20 -10.325 11.139 4.314 1.00 41.21 N ATOM 291 CA GLY A 20 -9.337 12.067 4.834 1.00 31.25 C ATOM 292 C GLY A 20 -9.378 13.384 4.064 1.00 53.51 C ATOM 293 O GLY A 20 -9.301 14.462 4.659 1.00 51.32 O ATOM 0 H GLY A 20 -9.917 10.277 3.953 1.00 41.21 H new ATOM 0 HA2 GLY A 20 -9.525 12.252 5.892 1.00 31.25 H new ATOM 0 HA3 GLY A 20 -8.343 11.627 4.760 1.00 31.25 H new ATOM 297 N GLY A 21 -9.577 13.305 2.750 1.00 10.25 N ATOM 298 CA GLY A 21 -9.289 14.383 1.818 1.00 50.30 C ATOM 299 C GLY A 21 -8.056 14.070 0.973 1.00 44.11 C ATOM 300 O GLY A 21 -7.661 14.921 0.178 1.00 72.23 O ATOM 0 H GLY A 21 -9.951 12.471 2.298 1.00 10.25 H new ATOM 0 HA2 GLY A 21 -10.148 14.543 1.167 1.00 50.30 H new ATOM 0 HA3 GLY A 21 -9.130 15.310 2.369 1.00 50.30 H new ATOM 304 N ALA A 22 -7.462 12.876 1.104 1.00 14.53 N ATOM 305 CA ALA A 22 -6.419 12.416 0.202 1.00 61.21 C ATOM 306 C ALA A 22 -6.983 12.234 -1.207 1.00 45.53 C ATOM 307 O ALA A 22 -8.193 12.032 -1.391 1.00 31.02 O ATOM 308 CB ALA A 22 -5.869 11.070 0.681 1.00 63.24 C ATOM 0 H ALA A 22 -7.697 12.209 1.840 1.00 14.53 H new ATOM 0 HA ALA A 22 -5.624 13.161 0.189 1.00 61.21 H new ATOM 0 HB1 ALA A 22 -5.088 10.733 -0.001 1.00 63.24 H new ATOM 0 HB2 ALA A 22 -5.453 11.182 1.682 1.00 63.24 H new ATOM 0 HB3 ALA A 22 -6.674 10.335 0.703 1.00 63.24 H new ATOM 314 N PHE A 23 -6.086 12.176 -2.184 1.00 45.30 N ATOM 315 CA PHE A 23 -6.339 11.460 -3.419 1.00 64.40 C ATOM 316 C PHE A 23 -5.894 10.026 -3.145 1.00 12.34 C ATOM 317 O PHE A 23 -4.767 9.816 -2.698 1.00 60.43 O ATOM 318 CB PHE A 23 -5.542 12.108 -4.558 1.00 2.43 C ATOM 319 CG PHE A 23 -5.994 11.687 -5.939 1.00 33.14 C ATOM 320 CD1 PHE A 23 -5.464 10.530 -6.538 1.00 1.25 C ATOM 321 CD2 PHE A 23 -6.916 12.478 -6.650 1.00 53.14 C ATOM 322 CE1 PHE A 23 -5.814 10.193 -7.858 1.00 43.44 C ATOM 323 CE2 PHE A 23 -7.275 12.132 -7.962 1.00 53.12 C ATOM 324 CZ PHE A 23 -6.704 11.007 -8.579 1.00 12.21 C ATOM 0 H PHE A 23 -5.170 12.622 -2.139 1.00 45.30 H new ATOM 0 HA PHE A 23 -7.385 11.485 -3.725 1.00 64.40 H new ATOM 0 HB2 PHE A 23 -5.623 13.192 -4.474 1.00 2.43 H new ATOM 0 HB3 PHE A 23 -4.488 11.857 -4.439 1.00 2.43 H new ATOM 0 HD1 PHE A 23 -4.786 9.898 -5.983 1.00 1.25 H new ATOM 0 HD2 PHE A 23 -7.348 13.352 -6.185 1.00 53.14 H new ATOM 0 HE1 PHE A 23 -5.399 9.308 -8.318 1.00 43.44 H new ATOM 0 HE2 PHE A 23 -7.993 12.733 -8.499 1.00 53.12 H new ATOM 0 HZ PHE A 23 -6.948 10.768 -9.604 1.00 12.21 H new ATOM 333 N ALA A 24 -6.758 9.035 -3.356 1.00 13.53 N ATOM 334 CA ALA A 24 -6.347 7.641 -3.297 1.00 21.05 C ATOM 335 C ALA A 24 -7.068 6.857 -4.379 1.00 21.03 C ATOM 336 O ALA A 24 -8.169 7.234 -4.794 1.00 72.23 O ATOM 337 CB ALA A 24 -6.613 7.061 -1.906 1.00 3.53 C ATOM 0 H ALA A 24 -7.746 9.175 -3.569 1.00 13.53 H new ATOM 0 HA ALA A 24 -5.274 7.568 -3.476 1.00 21.05 H new ATOM 0 HB1 ALA A 24 -6.299 6.017 -1.881 1.00 3.53 H new ATOM 0 HB2 ALA A 24 -6.052 7.627 -1.162 1.00 3.53 H new ATOM 0 HB3 ALA A 24 -7.678 7.125 -1.683 1.00 3.53 H new ATOM 343 N THR A 25 -6.476 5.750 -4.822 1.00 73.14 N ATOM 344 CA THR A 25 -7.082 4.887 -5.831 1.00 34.12 C ATOM 345 C THR A 25 -6.397 3.520 -5.869 1.00 31.45 C ATOM 346 O THR A 25 -5.328 3.305 -5.287 1.00 20.02 O ATOM 347 CB THR A 25 -7.155 5.590 -7.201 1.00 62.42 C ATOM 348 OG1 THR A 25 -8.101 4.924 -8.019 1.00 13.23 O ATOM 349 CG2 THR A 25 -5.803 5.671 -7.899 1.00 72.13 C ATOM 0 H THR A 25 -5.566 5.428 -4.493 1.00 73.14 H new ATOM 0 HA THR A 25 -8.117 4.692 -5.549 1.00 34.12 H new ATOM 0 HB THR A 25 -7.470 6.619 -7.028 1.00 62.42 H new ATOM 0 HG1 THR A 25 -8.151 5.370 -8.890 1.00 13.23 H new ATOM 0 HG21 THR A 25 -5.918 6.176 -8.858 1.00 72.13 H new ATOM 0 HG22 THR A 25 -5.105 6.230 -7.276 1.00 72.13 H new ATOM 0 HG23 THR A 25 -5.417 4.665 -8.063 1.00 72.13 H new ATOM 357 N VAL A 26 -7.041 2.575 -6.553 1.00 31.53 N ATOM 358 CA VAL A 26 -6.581 1.216 -6.723 1.00 15.25 C ATOM 359 C VAL A 26 -6.087 1.059 -8.162 1.00 43.40 C ATOM 360 O VAL A 26 -6.853 0.784 -9.082 1.00 12.01 O ATOM 361 CB VAL A 26 -7.655 0.234 -6.231 1.00 63.31 C ATOM 362 CG1 VAL A 26 -9.045 0.299 -6.878 1.00 64.10 C ATOM 363 CG2 VAL A 26 -7.133 -1.191 -6.360 1.00 60.53 C ATOM 0 H VAL A 26 -7.931 2.752 -7.018 1.00 31.53 H new ATOM 0 HA VAL A 26 -5.721 0.970 -6.100 1.00 15.25 H new ATOM 0 HB VAL A 26 -7.824 0.550 -5.202 1.00 63.31 H new ATOM 0 HG11 VAL A 26 -9.692 -0.453 -6.427 1.00 64.10 H new ATOM 0 HG12 VAL A 26 -9.474 1.288 -6.720 1.00 64.10 H new ATOM 0 HG13 VAL A 26 -8.958 0.108 -7.948 1.00 64.10 H new ATOM 0 HG21 VAL A 26 -7.893 -1.890 -6.011 1.00 60.53 H new ATOM 0 HG22 VAL A 26 -6.899 -1.400 -7.404 1.00 60.53 H new ATOM 0 HG23 VAL A 26 -6.232 -1.304 -5.757 1.00 60.53 H new ATOM 373 N ALA A 27 -4.786 1.265 -8.357 1.00 22.15 N ATOM 374 CA ALA A 27 -4.158 1.236 -9.670 1.00 1.15 C ATOM 375 C ALA A 27 -3.943 -0.189 -10.205 1.00 63.41 C ATOM 376 O ALA A 27 -3.471 -0.333 -11.333 1.00 11.32 O ATOM 377 CB ALA A 27 -2.835 2.009 -9.614 1.00 42.51 C ATOM 0 H ALA A 27 -4.134 1.459 -7.597 1.00 22.15 H new ATOM 0 HA ALA A 27 -4.839 1.716 -10.373 1.00 1.15 H new ATOM 0 HB1 ALA A 27 -2.361 1.990 -10.595 1.00 42.51 H new ATOM 0 HB2 ALA A 27 -3.029 3.042 -9.325 1.00 42.51 H new ATOM 0 HB3 ALA A 27 -2.173 1.545 -8.882 1.00 42.51 H new ATOM 383 N ARG A 28 -4.263 -1.256 -9.454 1.00 21.25 N ATOM 384 CA ARG A 28 -4.086 -2.636 -9.926 1.00 1.15 C ATOM 385 C ARG A 28 -5.169 -3.548 -9.355 1.00 62.20 C ATOM 386 O ARG A 28 -5.672 -3.277 -8.263 1.00 72.44 O ATOM 387 CB ARG A 28 -2.693 -3.127 -9.524 1.00 71.51 C ATOM 388 CG ARG A 28 -1.998 -4.045 -10.536 1.00 61.22 C ATOM 389 CD ARG A 28 -0.981 -3.268 -11.378 1.00 22.13 C ATOM 390 NE ARG A 28 -1.628 -2.415 -12.382 1.00 74.31 N ATOM 391 CZ ARG A 28 -1.047 -1.492 -13.151 1.00 62.52 C ATOM 392 NH1 ARG A 28 0.258 -1.261 -13.053 1.00 4.21 N ATOM 393 NH2 ARG A 28 -1.793 -0.818 -14.015 1.00 32.31 N ATOM 0 H ARG A 28 -4.648 -1.186 -8.512 1.00 21.25 H new ATOM 0 HA ARG A 28 -4.177 -2.660 -11.012 1.00 1.15 H new ATOM 0 HB2 ARG A 28 -2.057 -2.259 -9.351 1.00 71.51 H new ATOM 0 HB3 ARG A 28 -2.774 -3.657 -8.575 1.00 71.51 H new ATOM 0 HG2 ARG A 28 -1.495 -4.856 -10.010 1.00 61.22 H new ATOM 0 HG3 ARG A 28 -2.742 -4.501 -11.189 1.00 61.22 H new ATOM 0 HD2 ARG A 28 -0.365 -2.652 -10.723 1.00 22.13 H new ATOM 0 HD3 ARG A 28 -0.313 -3.970 -11.877 1.00 22.13 H new ATOM 0 HE ARG A 28 -2.633 -2.542 -12.506 1.00 74.31 H new ATOM 0 HH11 ARG A 28 0.821 -1.790 -12.387 1.00 4.21 H new ATOM 0 HH12 ARG A 28 0.697 -0.554 -13.643 1.00 4.21 H new ATOM 0 HH21 ARG A 28 -2.793 -1.009 -14.083 1.00 32.31 H new ATOM 0 HH22 ARG A 28 -1.367 -0.108 -14.612 1.00 32.31 H new ATOM 404 N LYS A 29 -5.481 -4.658 -10.026 1.00 20.41 N ATOM 405 CA LYS A 29 -6.482 -5.629 -9.592 1.00 0.21 C ATOM 406 C LYS A 29 -5.832 -7.002 -9.537 1.00 22.31 C ATOM 407 O LYS A 29 -5.716 -7.681 -10.566 1.00 0.43 O ATOM 408 CB LYS A 29 -7.692 -5.588 -10.542 1.00 14.13 C ATOM 409 CG LYS A 29 -8.743 -6.666 -10.220 1.00 12.15 C ATOM 410 CD LYS A 29 -9.998 -6.501 -11.085 1.00 42.43 C ATOM 411 CE LYS A 29 -10.820 -5.298 -10.618 1.00 40.30 C ATOM 412 NZ LYS A 29 -11.594 -5.568 -9.388 1.00 42.12 N ATOM 0 H LYS A 29 -5.033 -4.911 -10.907 1.00 20.41 H new ATOM 0 HA LYS A 29 -6.853 -5.389 -8.596 1.00 0.21 H new ATOM 0 HB2 LYS A 29 -8.159 -4.605 -10.486 1.00 14.13 H new ATOM 0 HB3 LYS A 29 -7.347 -5.719 -11.568 1.00 14.13 H new ATOM 0 HG2 LYS A 29 -8.314 -7.655 -10.384 1.00 12.15 H new ATOM 0 HG3 LYS A 29 -9.015 -6.607 -9.166 1.00 12.15 H new ATOM 0 HD2 LYS A 29 -9.712 -6.370 -12.129 1.00 42.43 H new ATOM 0 HD3 LYS A 29 -10.604 -7.405 -11.032 1.00 42.43 H new ATOM 0 HE2 LYS A 29 -10.152 -4.455 -10.442 1.00 40.30 H new ATOM 0 HE3 LYS A 29 -11.504 -5.002 -11.413 1.00 40.30 H new ATOM 0 HZ1 LYS A 29 -12.143 -4.723 -9.131 1.00 42.12 H new ATOM 0 HZ2 LYS A 29 -12.242 -6.365 -9.553 1.00 42.12 H new ATOM 0 HZ3 LYS A 29 -10.943 -5.807 -8.613 1.00 42.12 H new ATOM 422 N GLY A 30 -5.429 -7.398 -8.340 1.00 75.31 N ATOM 423 CA GLY A 30 -5.060 -8.763 -8.033 1.00 15.12 C ATOM 424 C GLY A 30 -6.293 -9.584 -7.677 1.00 32.34 C ATOM 425 O GLY A 30 -7.422 -9.112 -7.786 1.00 2.25 O ATOM 0 H GLY A 30 -5.349 -6.766 -7.544 1.00 75.31 H new ATOM 0 HA2 GLY A 30 -4.553 -9.210 -8.888 1.00 15.12 H new ATOM 0 HA3 GLY A 30 -4.355 -8.777 -7.202 1.00 15.12 H new ATOM 429 N ASP A 31 -6.072 -10.805 -7.177 1.00 64.53 N ATOM 430 CA ASP A 31 -7.044 -11.906 -7.260 1.00 40.33 C ATOM 431 C ASP A 31 -8.166 -11.882 -6.218 1.00 2.45 C ATOM 432 O ASP A 31 -8.767 -12.909 -5.916 1.00 42.23 O ATOM 433 CB ASP A 31 -6.272 -13.251 -7.216 1.00 4.25 C ATOM 434 CG ASP A 31 -6.610 -14.180 -8.396 1.00 72.13 C ATOM 435 OD1 ASP A 31 -7.608 -13.969 -9.121 1.00 41.31 O ATOM 436 OD2 ASP A 31 -5.826 -15.135 -8.621 1.00 4.33 O ATOM 0 H ASP A 31 -5.208 -11.061 -6.699 1.00 64.53 H new ATOM 0 HA ASP A 31 -7.570 -11.779 -8.206 1.00 40.33 H new ATOM 0 HB2 ASP A 31 -5.201 -13.049 -7.216 1.00 4.25 H new ATOM 0 HB3 ASP A 31 -6.500 -13.763 -6.281 1.00 4.25 H new ATOM 440 N ALA A 32 -8.475 -10.690 -5.685 1.00 72.51 N ATOM 441 CA ALA A 32 -9.444 -10.327 -4.643 1.00 33.54 C ATOM 442 C ALA A 32 -9.409 -11.139 -3.344 1.00 52.02 C ATOM 443 O ALA A 32 -10.032 -10.747 -2.360 1.00 62.20 O ATOM 444 CB ALA A 32 -10.848 -10.307 -5.244 1.00 53.23 C ATOM 0 H ALA A 32 -7.990 -9.856 -6.017 1.00 72.51 H new ATOM 0 HA ALA A 32 -9.137 -9.335 -4.312 1.00 33.54 H new ATOM 0 HB1 ALA A 32 -11.570 -10.038 -4.473 1.00 53.23 H new ATOM 0 HB2 ALA A 32 -10.888 -9.575 -6.050 1.00 53.23 H new ATOM 0 HB3 ALA A 32 -11.089 -11.294 -5.638 1.00 53.23 H new ATOM 450 N ARG A 33 -8.665 -12.231 -3.301 1.00 11.05 N ATOM 451 CA ARG A 33 -8.629 -13.224 -2.238 1.00 1.24 C ATOM 452 C ARG A 33 -7.226 -13.780 -2.074 1.00 15.22 C ATOM 453 O ARG A 33 -6.840 -14.091 -0.951 1.00 52.24 O ATOM 454 CB ARG A 33 -9.615 -14.340 -2.620 1.00 33.24 C ATOM 455 CG ARG A 33 -10.977 -14.169 -1.927 1.00 11.44 C ATOM 456 CD ARG A 33 -12.170 -14.450 -2.843 1.00 72.20 C ATOM 457 NE ARG A 33 -12.155 -15.822 -3.372 1.00 55.00 N ATOM 458 CZ ARG A 33 -13.029 -16.308 -4.255 1.00 33.53 C ATOM 459 NH1 ARG A 33 -14.031 -15.565 -4.706 1.00 53.24 N ATOM 460 NH2 ARG A 33 -12.924 -17.559 -4.687 1.00 54.00 N ATOM 0 H ARG A 33 -8.025 -12.464 -4.060 1.00 11.05 H new ATOM 0 HA ARG A 33 -8.911 -12.776 -1.285 1.00 1.24 H new ATOM 0 HB2 ARG A 33 -9.756 -14.344 -3.701 1.00 33.24 H new ATOM 0 HB3 ARG A 33 -9.190 -15.307 -2.350 1.00 33.24 H new ATOM 0 HG2 ARG A 33 -11.024 -14.837 -1.067 1.00 11.44 H new ATOM 0 HG3 ARG A 33 -11.055 -13.151 -1.544 1.00 11.44 H new ATOM 0 HD2 ARG A 33 -13.096 -14.286 -2.291 1.00 72.20 H new ATOM 0 HD3 ARG A 33 -12.163 -13.743 -3.672 1.00 72.20 H new ATOM 0 HE ARG A 33 -11.422 -16.448 -3.039 1.00 55.00 H new ATOM 0 HH11 ARG A 33 -14.143 -14.606 -4.378 1.00 53.24 H new ATOM 0 HH12 ARG A 33 -14.690 -15.953 -5.381 1.00 53.24 H new ATOM 0 HH21 ARG A 33 -12.171 -18.156 -4.344 1.00 54.00 H new ATOM 0 HH22 ARG A 33 -13.596 -17.923 -5.362 1.00 54.00 H new ATOM 471 N ALA A 34 -6.464 -13.903 -3.163 1.00 2.24 N ATOM 472 CA ALA A 34 -5.074 -14.323 -3.116 1.00 40.34 C ATOM 473 C ALA A 34 -4.238 -13.483 -4.076 1.00 12.22 C ATOM 474 O ALA A 34 -3.411 -14.008 -4.824 1.00 34.31 O ATOM 475 CB ALA A 34 -4.975 -15.830 -3.384 1.00 42.03 C ATOM 0 H ALA A 34 -6.803 -13.711 -4.106 1.00 2.24 H new ATOM 0 HA ALA A 34 -4.664 -14.153 -2.120 1.00 40.34 H new ATOM 0 HB1 ALA A 34 -3.930 -16.138 -3.347 1.00 42.03 H new ATOM 0 HB2 ALA A 34 -5.540 -16.372 -2.626 1.00 42.03 H new ATOM 0 HB3 ALA A 34 -5.384 -16.052 -4.370 1.00 42.03 H new ATOM 481 N GLY A 35 -4.483 -12.172 -4.077 1.00 23.41 N ATOM 482 CA GLY A 35 -3.565 -11.231 -4.689 1.00 41.23 C ATOM 483 C GLY A 35 -2.708 -10.600 -3.604 1.00 12.35 C ATOM 484 O GLY A 35 -3.222 -10.300 -2.524 1.00 0.44 O ATOM 0 H GLY A 35 -5.310 -11.745 -3.660 1.00 23.41 H new ATOM 0 HA2 GLY A 35 -2.935 -11.740 -5.418 1.00 41.23 H new ATOM 0 HA3 GLY A 35 -4.118 -10.461 -5.227 1.00 41.23 H new ATOM 488 N ALA A 36 -1.426 -10.395 -3.897 1.00 74.31 N ATOM 489 CA ALA A 36 -0.522 -9.670 -3.014 1.00 52.32 C ATOM 490 C ALA A 36 -0.865 -8.178 -3.042 1.00 72.24 C ATOM 491 O ALA A 36 -1.655 -7.730 -3.875 1.00 62.11 O ATOM 492 CB ALA A 36 0.926 -9.913 -3.440 1.00 42.13 C ATOM 0 H ALA A 36 -0.986 -10.728 -4.755 1.00 74.31 H new ATOM 0 HA ALA A 36 -0.638 -10.030 -1.992 1.00 52.32 H new ATOM 0 HB1 ALA A 36 1.597 -9.368 -2.776 1.00 42.13 H new ATOM 0 HB2 ALA A 36 1.147 -10.979 -3.385 1.00 42.13 H new ATOM 0 HB3 ALA A 36 1.067 -9.565 -4.463 1.00 42.13 H new ATOM 498 N VAL A 37 -0.259 -7.376 -2.163 1.00 22.51 N ATOM 499 CA VAL A 37 -0.663 -5.987 -1.975 1.00 60.20 C ATOM 500 C VAL A 37 0.565 -5.115 -1.739 1.00 73.41 C ATOM 501 O VAL A 37 1.431 -5.451 -0.927 1.00 13.03 O ATOM 502 CB VAL A 37 -1.656 -5.879 -0.795 1.00 23.22 C ATOM 503 CG1 VAL A 37 -2.329 -4.496 -0.775 1.00 44.11 C ATOM 504 CG2 VAL A 37 -2.773 -6.933 -0.816 1.00 54.43 C ATOM 0 H VAL A 37 0.517 -7.670 -1.569 1.00 22.51 H new ATOM 0 HA VAL A 37 -1.165 -5.633 -2.875 1.00 60.20 H new ATOM 0 HB VAL A 37 -1.048 -6.045 0.094 1.00 23.22 H new ATOM 0 HG11 VAL A 37 -3.024 -4.442 0.063 1.00 44.11 H new ATOM 0 HG12 VAL A 37 -1.568 -3.723 -0.667 1.00 44.11 H new ATOM 0 HG13 VAL A 37 -2.872 -4.342 -1.707 1.00 44.11 H new ATOM 0 HG21 VAL A 37 -3.426 -6.788 0.045 1.00 54.43 H new ATOM 0 HG22 VAL A 37 -3.353 -6.830 -1.733 1.00 54.43 H new ATOM 0 HG23 VAL A 37 -2.334 -7.930 -0.774 1.00 54.43 H new ATOM 514 N LEU A 38 0.601 -3.960 -2.403 1.00 54.03 N ATOM 515 CA LEU A 38 1.443 -2.825 -2.061 1.00 40.14 C ATOM 516 C LEU A 38 0.543 -1.724 -1.517 1.00 15.43 C ATOM 517 O LEU A 38 -0.573 -1.523 -2.009 1.00 35.41 O ATOM 518 CB LEU A 38 2.194 -2.293 -3.292 1.00 15.42 C ATOM 519 CG LEU A 38 3.107 -3.293 -4.021 1.00 44.13 C ATOM 520 CD1 LEU A 38 4.059 -2.506 -4.917 1.00 20.34 C ATOM 521 CD2 LEU A 38 3.945 -4.171 -3.091 1.00 13.42 C ATOM 0 H LEU A 38 0.021 -3.788 -3.224 1.00 54.03 H new ATOM 0 HA LEU A 38 2.183 -3.138 -1.324 1.00 40.14 H new ATOM 0 HB2 LEU A 38 1.459 -1.919 -4.005 1.00 15.42 H new ATOM 0 HB3 LEU A 38 2.799 -1.441 -2.981 1.00 15.42 H new ATOM 0 HG LEU A 38 2.453 -3.962 -4.581 1.00 44.13 H new ATOM 0 HD11 LEU A 38 4.717 -3.197 -5.444 1.00 20.34 H new ATOM 0 HD12 LEU A 38 3.484 -1.929 -5.641 1.00 20.34 H new ATOM 0 HD13 LEU A 38 4.657 -1.830 -4.307 1.00 20.34 H new ATOM 0 HD21 LEU A 38 4.560 -4.847 -3.685 1.00 13.42 H new ATOM 0 HD22 LEU A 38 4.588 -3.540 -2.477 1.00 13.42 H new ATOM 0 HD23 LEU A 38 3.285 -4.752 -2.447 1.00 13.42 H new ATOM 532 N VAL A 39 1.059 -0.955 -0.561 1.00 62.30 N ATOM 533 CA VAL A 39 0.454 0.298 -0.121 1.00 23.02 C ATOM 534 C VAL A 39 1.521 1.347 -0.334 1.00 15.42 C ATOM 535 O VAL A 39 2.679 1.134 0.015 1.00 15.54 O ATOM 536 CB VAL A 39 0.038 0.265 1.361 1.00 1.53 C ATOM 537 CG1 VAL A 39 -0.620 1.605 1.749 1.00 44.10 C ATOM 538 CG2 VAL A 39 -0.918 -0.888 1.682 1.00 41.50 C ATOM 0 H VAL A 39 1.919 -1.188 -0.065 1.00 62.30 H new ATOM 0 HA VAL A 39 -0.460 0.498 -0.680 1.00 23.02 H new ATOM 0 HB VAL A 39 0.945 0.105 1.944 1.00 1.53 H new ATOM 0 HG11 VAL A 39 -0.912 1.576 2.799 1.00 44.10 H new ATOM 0 HG12 VAL A 39 0.089 2.418 1.592 1.00 44.10 H new ATOM 0 HG13 VAL A 39 -1.503 1.769 1.131 1.00 44.10 H new ATOM 0 HG21 VAL A 39 -1.177 -0.862 2.740 1.00 41.50 H new ATOM 0 HG22 VAL A 39 -1.824 -0.787 1.084 1.00 41.50 H new ATOM 0 HG23 VAL A 39 -0.434 -1.837 1.451 1.00 41.50 H new ATOM 548 N LYS A 40 1.147 2.501 -0.857 1.00 43.40 N ATOM 549 CA LYS A 40 2.054 3.594 -1.125 1.00 75.40 C ATOM 550 C LYS A 40 1.471 4.798 -0.375 1.00 42.43 C ATOM 551 O LYS A 40 0.284 5.065 -0.551 1.00 32.32 O ATOM 552 CB LYS A 40 2.081 3.718 -2.654 1.00 75.01 C ATOM 553 CG LYS A 40 2.712 5.021 -3.125 1.00 24.24 C ATOM 554 CD LYS A 40 2.524 5.190 -4.634 1.00 20.01 C ATOM 555 CE LYS A 40 2.778 6.667 -4.872 1.00 40.33 C ATOM 556 NZ LYS A 40 2.418 7.097 -6.237 1.00 4.52 N ATOM 0 H LYS A 40 0.181 2.705 -1.112 1.00 43.40 H new ATOM 0 HA LYS A 40 3.085 3.480 -0.790 1.00 75.40 H new ATOM 0 HB2 LYS A 40 2.635 2.878 -3.073 1.00 75.01 H new ATOM 0 HB3 LYS A 40 1.063 3.652 -3.038 1.00 75.01 H new ATOM 0 HG2 LYS A 40 2.260 5.862 -2.599 1.00 24.24 H new ATOM 0 HG3 LYS A 40 3.774 5.027 -2.882 1.00 24.24 H new ATOM 0 HD2 LYS A 40 3.222 4.569 -5.195 1.00 20.01 H new ATOM 0 HD3 LYS A 40 1.520 4.902 -4.946 1.00 20.01 H new ATOM 0 HE2 LYS A 40 2.207 7.250 -4.150 1.00 40.33 H new ATOM 0 HE3 LYS A 40 3.831 6.883 -4.694 1.00 40.33 H new ATOM 0 HZ1 LYS A 40 2.185 8.111 -6.232 1.00 4.52 H new ATOM 0 HZ2 LYS A 40 3.221 6.929 -6.877 1.00 4.52 H new ATOM 0 HZ3 LYS A 40 1.594 6.554 -6.566 1.00 4.52 H new ATOM 566 N ALA A 41 2.237 5.470 0.491 1.00 40.44 N ATOM 567 CA ALA A 41 1.743 6.476 1.437 1.00 35.41 C ATOM 568 C ALA A 41 2.656 7.708 1.368 1.00 42.52 C ATOM 569 O ALA A 41 3.686 7.756 2.051 1.00 41.33 O ATOM 570 CB ALA A 41 1.704 5.881 2.857 1.00 72.40 C ATOM 0 H ALA A 41 3.245 5.325 0.555 1.00 40.44 H new ATOM 0 HA ALA A 41 0.728 6.778 1.177 1.00 35.41 H new ATOM 0 HB1 ALA A 41 1.336 6.632 3.556 1.00 72.40 H new ATOM 0 HB2 ALA A 41 1.040 5.016 2.871 1.00 72.40 H new ATOM 0 HB3 ALA A 41 2.708 5.573 3.150 1.00 72.40 H new ATOM 576 N VAL A 42 2.315 8.683 0.522 1.00 63.14 N ATOM 577 CA VAL A 42 3.174 9.853 0.313 1.00 15.25 C ATOM 578 C VAL A 42 2.970 10.837 1.483 1.00 0.23 C ATOM 579 O VAL A 42 1.998 10.718 2.235 1.00 42.30 O ATOM 580 CB VAL A 42 2.889 10.496 -1.062 1.00 32.15 C ATOM 581 CG1 VAL A 42 1.763 11.524 -1.052 1.00 64.33 C ATOM 582 CG2 VAL A 42 4.135 11.070 -1.739 1.00 3.11 C ATOM 0 H VAL A 42 1.455 8.687 -0.027 1.00 63.14 H new ATOM 0 HA VAL A 42 4.222 9.555 0.300 1.00 15.25 H new ATOM 0 HB VAL A 42 2.543 9.656 -1.665 1.00 32.15 H new ATOM 0 HG11 VAL A 42 1.629 11.926 -2.056 1.00 64.33 H new ATOM 0 HG12 VAL A 42 0.839 11.048 -0.725 1.00 64.33 H new ATOM 0 HG13 VAL A 42 2.016 12.334 -0.368 1.00 64.33 H new ATOM 0 HG21 VAL A 42 3.859 11.505 -2.700 1.00 3.11 H new ATOM 0 HG22 VAL A 42 4.572 11.840 -1.104 1.00 3.11 H new ATOM 0 HG23 VAL A 42 4.863 10.274 -1.897 1.00 3.11 H new ATOM 592 N ASP A 43 3.859 11.823 1.629 1.00 40.52 N ATOM 593 CA ASP A 43 3.725 12.912 2.600 1.00 12.23 C ATOM 594 C ASP A 43 3.962 14.259 1.913 1.00 73.33 C ATOM 595 O ASP A 43 5.081 14.768 1.927 1.00 21.41 O ATOM 596 CB ASP A 43 4.744 12.671 3.729 1.00 72.40 C ATOM 597 CG ASP A 43 4.533 13.510 4.993 1.00 3.53 C ATOM 598 OD1 ASP A 43 4.264 14.732 4.916 1.00 11.25 O ATOM 599 OD2 ASP A 43 4.647 12.921 6.101 1.00 41.12 O ATOM 0 H ASP A 43 4.707 11.888 1.066 1.00 40.52 H new ATOM 0 HA ASP A 43 2.719 12.934 3.019 1.00 12.23 H new ATOM 0 HB2 ASP A 43 4.714 11.617 4.004 1.00 72.40 H new ATOM 0 HB3 ASP A 43 5.743 12.871 3.343 1.00 72.40 H new ATOM 603 N ARG A 44 2.955 14.865 1.263 1.00 52.44 N ATOM 604 CA ARG A 44 3.173 16.183 0.631 1.00 12.15 C ATOM 605 C ARG A 44 3.513 17.263 1.668 1.00 33.11 C ATOM 606 O ARG A 44 4.216 18.219 1.331 1.00 34.23 O ATOM 607 CB ARG A 44 1.972 16.670 -0.195 1.00 1.15 C ATOM 608 CG ARG A 44 1.577 15.758 -1.365 1.00 2.31 C ATOM 609 CD ARG A 44 2.603 15.796 -2.508 1.00 42.50 C ATOM 610 NE ARG A 44 2.456 16.979 -3.372 1.00 22.11 N ATOM 611 CZ ARG A 44 2.775 17.057 -4.672 1.00 41.33 C ATOM 612 NH1 ARG A 44 3.372 16.066 -5.324 1.00 41.30 N ATOM 613 NH2 ARG A 44 2.499 18.168 -5.332 1.00 71.20 N ATOM 0 H ARG A 44 2.014 14.484 1.161 1.00 52.44 H new ATOM 0 HA ARG A 44 4.016 16.030 -0.043 1.00 12.15 H new ATOM 0 HB2 ARG A 44 1.114 16.777 0.468 1.00 1.15 H new ATOM 0 HB3 ARG A 44 2.198 17.662 -0.587 1.00 1.15 H new ATOM 0 HG2 ARG A 44 1.475 14.734 -1.006 1.00 2.31 H new ATOM 0 HG3 ARG A 44 0.602 16.061 -1.745 1.00 2.31 H new ATOM 0 HD2 ARG A 44 3.608 15.783 -2.087 1.00 42.50 H new ATOM 0 HD3 ARG A 44 2.499 14.895 -3.113 1.00 42.50 H new ATOM 0 HE ARG A 44 2.075 17.821 -2.940 1.00 22.11 H new ATOM 0 HH11 ARG A 44 3.606 15.202 -4.835 1.00 41.30 H new ATOM 0 HH12 ARG A 44 3.596 16.169 -6.314 1.00 41.30 H new ATOM 0 HH21 ARG A 44 2.051 18.948 -4.852 1.00 71.20 H new ATOM 0 HH22 ARG A 44 2.734 18.245 -6.321 1.00 71.20 H new ATOM 624 N ARG A 45 2.996 17.169 2.902 1.00 62.33 N ATOM 625 CA ARG A 45 3.105 18.212 3.917 1.00 1.55 C ATOM 626 C ARG A 45 4.560 18.451 4.273 1.00 60.12 C ATOM 627 O ARG A 45 4.999 19.600 4.324 1.00 23.25 O ATOM 628 CB ARG A 45 2.290 17.809 5.156 1.00 22.42 C ATOM 629 CG ARG A 45 1.901 19.035 5.975 1.00 62.21 C ATOM 630 CD ARG A 45 1.061 18.649 7.202 1.00 73.33 C ATOM 631 NE ARG A 45 0.256 19.792 7.666 1.00 64.31 N ATOM 632 CZ ARG A 45 -0.924 19.720 8.303 1.00 21.45 C ATOM 633 NH1 ARG A 45 -1.376 18.564 8.781 1.00 12.41 N ATOM 634 NH2 ARG A 45 -1.673 20.811 8.417 1.00 25.32 N ATOM 0 H ARG A 45 2.482 16.348 3.222 1.00 62.33 H new ATOM 0 HA ARG A 45 2.702 19.145 3.524 1.00 1.55 H new ATOM 0 HB2 ARG A 45 1.392 17.273 4.847 1.00 22.42 H new ATOM 0 HB3 ARG A 45 2.873 17.125 5.773 1.00 22.42 H new ATOM 0 HG2 ARG A 45 2.801 19.558 6.299 1.00 62.21 H new ATOM 0 HG3 ARG A 45 1.337 19.727 5.350 1.00 62.21 H new ATOM 0 HD2 ARG A 45 0.406 17.815 6.952 1.00 73.33 H new ATOM 0 HD3 ARG A 45 1.716 18.310 8.005 1.00 73.33 H new ATOM 0 HE ARG A 45 0.629 20.724 7.487 1.00 64.31 H new ATOM 0 HH11 ARG A 45 -0.824 17.714 8.666 1.00 12.41 H new ATOM 0 HH12 ARG A 45 -2.275 18.528 9.262 1.00 12.41 H new ATOM 0 HH21 ARG A 45 -1.351 21.695 8.022 1.00 25.32 H new ATOM 0 HH22 ARG A 45 -2.571 20.765 8.899 1.00 25.32 H new ATOM 645 N GLU A 46 5.315 17.386 4.510 1.00 54.32 N ATOM 646 CA GLU A 46 6.759 17.477 4.595 1.00 55.54 C ATOM 647 C GLU A 46 7.301 17.630 3.185 1.00 72.23 C ATOM 648 O GLU A 46 7.908 18.651 2.858 1.00 41.32 O ATOM 649 CB GLU A 46 7.342 16.267 5.332 1.00 31.25 C ATOM 650 CG GLU A 46 6.813 16.302 6.774 1.00 0.12 C ATOM 651 CD GLU A 46 7.529 15.386 7.755 1.00 43.13 C ATOM 652 OE1 GLU A 46 8.754 15.204 7.635 1.00 75.31 O ATOM 653 OE2 GLU A 46 6.873 14.927 8.726 1.00 41.50 O ATOM 0 H GLU A 46 4.944 16.446 4.647 1.00 54.32 H new ATOM 0 HA GLU A 46 7.058 18.346 5.180 1.00 55.54 H new ATOM 0 HB2 GLU A 46 7.048 15.340 4.839 1.00 31.25 H new ATOM 0 HB3 GLU A 46 8.431 16.302 5.323 1.00 31.25 H new ATOM 0 HG2 GLU A 46 6.881 17.325 7.143 1.00 0.12 H new ATOM 0 HG3 GLU A 46 5.756 16.037 6.761 1.00 0.12 H new ATOM 658 N GLY A 47 7.006 16.659 2.332 1.00 20.32 N ATOM 659 CA GLY A 47 7.571 16.499 1.009 1.00 42.30 C ATOM 660 C GLY A 47 8.250 15.141 0.849 1.00 34.02 C ATOM 661 O GLY A 47 8.965 14.955 -0.139 1.00 35.32 O ATOM 0 H GLY A 47 6.332 15.928 2.560 1.00 20.32 H new ATOM 0 HA2 GLY A 47 6.784 16.604 0.262 1.00 42.30 H new ATOM 0 HA3 GLY A 47 8.295 17.293 0.823 1.00 42.30 H new ATOM 665 N THR A 48 8.076 14.226 1.804 1.00 43.42 N ATOM 666 CA THR A 48 8.648 12.893 1.775 1.00 75.34 C ATOM 667 C THR A 48 7.690 11.936 1.054 1.00 4.15 C ATOM 668 O THR A 48 6.571 12.295 0.676 1.00 23.24 O ATOM 669 CB THR A 48 9.039 12.461 3.210 1.00 55.10 C ATOM 670 OG1 THR A 48 8.007 12.634 4.157 1.00 12.33 O ATOM 671 CG2 THR A 48 10.209 13.296 3.733 1.00 33.41 C ATOM 0 H THR A 48 7.517 14.404 2.639 1.00 43.42 H new ATOM 0 HA THR A 48 9.573 12.874 1.199 1.00 75.34 H new ATOM 0 HB THR A 48 9.283 11.403 3.114 1.00 55.10 H new ATOM 0 HG1 THR A 48 8.319 12.341 5.038 1.00 12.33 H new ATOM 0 HG21 THR A 48 10.464 12.973 4.742 1.00 33.41 H new ATOM 0 HG22 THR A 48 11.072 13.162 3.080 1.00 33.41 H new ATOM 0 HG23 THR A 48 9.926 14.349 3.750 1.00 33.41 H new ATOM 679 N ALA A 49 8.131 10.702 0.830 1.00 71.04 N ATOM 680 CA ALA A 49 7.340 9.611 0.288 1.00 52.32 C ATOM 681 C ALA A 49 7.835 8.350 0.973 1.00 61.34 C ATOM 682 O ALA A 49 9.035 8.241 1.234 1.00 61.24 O ATOM 683 CB ALA A 49 7.572 9.508 -1.224 1.00 42.22 C ATOM 0 H ALA A 49 9.092 10.427 1.031 1.00 71.04 H new ATOM 0 HA ALA A 49 6.274 9.764 0.457 1.00 52.32 H new ATOM 0 HB1 ALA A 49 6.978 8.689 -1.628 1.00 42.22 H new ATOM 0 HB2 ALA A 49 7.276 10.442 -1.702 1.00 42.22 H new ATOM 0 HB3 ALA A 49 8.628 9.320 -1.418 1.00 42.22 H new ATOM 689 N ARG A 50 6.948 7.394 1.229 1.00 21.24 N ATOM 690 CA ARG A 50 7.264 6.060 1.706 1.00 14.14 C ATOM 691 C ARG A 50 6.318 5.085 1.013 1.00 21.02 C ATOM 692 O ARG A 50 5.186 5.431 0.662 1.00 51.44 O ATOM 693 CB ARG A 50 7.102 6.022 3.230 1.00 41.32 C ATOM 694 CG ARG A 50 8.372 6.496 3.958 1.00 32.43 C ATOM 695 CD ARG A 50 8.143 6.490 5.466 1.00 0.41 C ATOM 696 NE ARG A 50 7.829 7.829 5.987 1.00 3.51 N ATOM 697 CZ ARG A 50 7.965 8.252 7.249 1.00 55.12 C ATOM 698 NH1 ARG A 50 8.526 7.479 8.176 1.00 53.34 N ATOM 699 NH2 ARG A 50 7.517 9.453 7.588 1.00 3.43 N ATOM 0 H ARG A 50 5.946 7.538 1.103 1.00 21.24 H new ATOM 0 HA ARG A 50 8.293 5.782 1.476 1.00 14.14 H new ATOM 0 HB2 ARG A 50 6.261 6.652 3.521 1.00 41.32 H new ATOM 0 HB3 ARG A 50 6.862 5.006 3.544 1.00 41.32 H new ATOM 0 HG2 ARG A 50 9.209 5.845 3.707 1.00 32.43 H new ATOM 0 HG3 ARG A 50 8.638 7.500 3.626 1.00 32.43 H new ATOM 0 HD2 ARG A 50 7.326 5.809 5.705 1.00 0.41 H new ATOM 0 HD3 ARG A 50 9.033 6.108 5.965 1.00 0.41 H new ATOM 0 HE ARG A 50 7.469 8.507 5.315 1.00 3.51 H new ATOM 0 HH11 ARG A 50 8.861 6.548 7.929 1.00 53.34 H new ATOM 0 HH12 ARG A 50 8.621 7.818 9.133 1.00 53.34 H new ATOM 0 HH21 ARG A 50 7.072 10.048 6.889 1.00 3.43 H new ATOM 0 HH22 ARG A 50 7.617 9.782 8.548 1.00 3.43 H new ATOM 710 N LEU A 51 6.783 3.859 0.812 1.00 32.32 N ATOM 711 CA LEU A 51 6.101 2.828 0.048 1.00 63.42 C ATOM 712 C LEU A 51 6.319 1.493 0.754 1.00 14.32 C ATOM 713 O LEU A 51 7.399 1.226 1.295 1.00 54.34 O ATOM 714 CB LEU A 51 6.620 2.842 -1.407 1.00 31.44 C ATOM 715 CG LEU A 51 5.542 2.475 -2.440 1.00 75.33 C ATOM 716 CD1 LEU A 51 5.944 2.863 -3.854 1.00 21.24 C ATOM 717 CD2 LEU A 51 5.228 0.979 -2.454 1.00 0.51 C ATOM 0 H LEU A 51 7.677 3.546 1.191 1.00 32.32 H new ATOM 0 HA LEU A 51 5.027 3.005 -0.005 1.00 63.42 H new ATOM 0 HB2 LEU A 51 7.011 3.833 -1.637 1.00 31.44 H new ATOM 0 HB3 LEU A 51 7.452 2.143 -1.496 1.00 31.44 H new ATOM 0 HG LEU A 51 4.661 3.037 -2.130 1.00 75.33 H new ATOM 0 HD11 LEU A 51 5.151 2.584 -4.547 1.00 21.24 H new ATOM 0 HD12 LEU A 51 6.107 3.940 -3.904 1.00 21.24 H new ATOM 0 HD13 LEU A 51 6.863 2.344 -4.126 1.00 21.24 H new ATOM 0 HD21 LEU A 51 4.461 0.775 -3.201 1.00 0.51 H new ATOM 0 HD22 LEU A 51 6.131 0.420 -2.699 1.00 0.51 H new ATOM 0 HD23 LEU A 51 4.868 0.674 -1.472 1.00 0.51 H new ATOM 728 N PHE A 52 5.282 0.661 0.760 1.00 53.20 N ATOM 729 CA PHE A 52 5.234 -0.593 1.516 1.00 15.43 C ATOM 730 C PHE A 52 4.842 -1.783 0.637 1.00 3.12 C ATOM 731 O PHE A 52 4.228 -1.628 -0.421 1.00 54.31 O ATOM 732 CB PHE A 52 4.237 -0.463 2.681 1.00 22.21 C ATOM 733 CG PHE A 52 4.485 0.688 3.640 1.00 63.01 C ATOM 734 CD1 PHE A 52 5.621 0.679 4.470 1.00 55.34 C ATOM 735 CD2 PHE A 52 3.567 1.753 3.730 1.00 61.11 C ATOM 736 CE1 PHE A 52 5.845 1.734 5.373 1.00 40.43 C ATOM 737 CE2 PHE A 52 3.780 2.797 4.647 1.00 15.31 C ATOM 738 CZ PHE A 52 4.927 2.795 5.460 1.00 52.52 C ATOM 0 H PHE A 52 4.430 0.841 0.228 1.00 53.20 H new ATOM 0 HA PHE A 52 6.237 -0.781 1.900 1.00 15.43 H new ATOM 0 HB2 PHE A 52 3.235 -0.355 2.266 1.00 22.21 H new ATOM 0 HB3 PHE A 52 4.248 -1.393 3.249 1.00 22.21 H new ATOM 0 HD1 PHE A 52 6.323 -0.140 4.414 1.00 55.34 H new ATOM 0 HD2 PHE A 52 2.696 1.767 3.092 1.00 61.11 H new ATOM 0 HE1 PHE A 52 6.724 1.729 6.001 1.00 40.43 H new ATOM 0 HE2 PHE A 52 3.063 3.600 4.727 1.00 15.31 H new ATOM 0 HZ PHE A 52 5.102 3.607 6.150 1.00 52.52 H new ATOM 747 N SER A 53 5.118 -2.995 1.122 1.00 51.53 N ATOM 748 CA SER A 53 4.609 -4.254 0.584 1.00 14.34 C ATOM 749 C SER A 53 4.118 -5.101 1.746 1.00 4.45 C ATOM 750 O SER A 53 4.554 -4.878 2.877 1.00 2.15 O ATOM 751 CB SER A 53 5.734 -4.995 -0.140 1.00 41.22 C ATOM 752 OG SER A 53 5.227 -5.982 -1.013 1.00 15.22 O ATOM 0 H SER A 53 5.725 -3.130 1.931 1.00 51.53 H new ATOM 0 HA SER A 53 3.798 -4.062 -0.119 1.00 14.34 H new ATOM 0 HB2 SER A 53 6.335 -4.283 -0.705 1.00 41.22 H new ATOM 0 HB3 SER A 53 6.394 -5.460 0.592 1.00 41.22 H new ATOM 0 HG SER A 53 5.739 -5.974 -1.848 1.00 15.22 H new ATOM 757 N GLU A 54 3.247 -6.070 1.480 1.00 34.31 N ATOM 758 CA GLU A 54 2.953 -7.108 2.450 1.00 53.14 C ATOM 759 C GLU A 54 4.157 -8.054 2.605 1.00 24.31 C ATOM 760 O GLU A 54 5.039 -8.131 1.743 1.00 23.42 O ATOM 761 CB GLU A 54 1.660 -7.852 2.073 1.00 40.30 C ATOM 762 CG GLU A 54 1.765 -8.785 0.847 1.00 60.53 C ATOM 763 CD GLU A 54 1.102 -10.147 1.085 1.00 34.33 C ATOM 764 OE1 GLU A 54 1.278 -10.758 2.151 1.00 0.43 O ATOM 765 OE2 GLU A 54 0.311 -10.604 0.217 1.00 23.23 O ATOM 0 H GLU A 54 2.736 -6.154 0.601 1.00 34.31 H new ATOM 0 HA GLU A 54 2.780 -6.650 3.424 1.00 53.14 H new ATOM 0 HB2 GLU A 54 1.338 -8.442 2.931 1.00 40.30 H new ATOM 0 HB3 GLU A 54 0.880 -7.115 1.882 1.00 40.30 H new ATOM 0 HG2 GLU A 54 1.299 -8.303 -0.013 1.00 60.53 H new ATOM 0 HG3 GLU A 54 2.815 -8.935 0.598 1.00 60.53 H new ATOM 770 N ALA A 55 4.163 -8.805 3.699 1.00 15.42 N ATOM 771 CA ALA A 55 4.925 -10.018 3.934 1.00 33.11 C ATOM 772 C ALA A 55 4.161 -10.829 4.989 1.00 74.40 C ATOM 773 O ALA A 55 3.215 -10.320 5.591 1.00 12.33 O ATOM 774 CB ALA A 55 6.338 -9.663 4.404 1.00 11.33 C ATOM 0 H ALA A 55 3.589 -8.560 4.506 1.00 15.42 H new ATOM 0 HA ALA A 55 5.034 -10.607 3.024 1.00 33.11 H new ATOM 0 HB1 ALA A 55 6.904 -10.578 4.578 1.00 11.33 H new ATOM 0 HB2 ALA A 55 6.837 -9.068 3.639 1.00 11.33 H new ATOM 0 HB3 ALA A 55 6.280 -9.090 5.329 1.00 11.33 H new ATOM 780 N THR A 56 4.577 -12.069 5.255 1.00 44.13 N ATOM 781 CA THR A 56 3.967 -12.927 6.269 1.00 74.43 C ATOM 782 C THR A 56 5.049 -13.685 7.027 1.00 20.32 C ATOM 783 O THR A 56 6.084 -14.041 6.453 1.00 2.14 O ATOM 784 CB THR A 56 2.956 -13.906 5.648 1.00 3.43 C ATOM 785 OG1 THR A 56 3.277 -14.263 4.314 1.00 64.33 O ATOM 786 CG2 THR A 56 1.535 -13.352 5.678 1.00 3.43 C ATOM 0 H THR A 56 5.356 -12.509 4.766 1.00 44.13 H new ATOM 0 HA THR A 56 3.420 -12.291 6.966 1.00 74.43 H new ATOM 0 HB THR A 56 3.013 -14.801 6.267 1.00 3.43 H new ATOM 0 HG1 THR A 56 2.603 -14.887 3.971 1.00 64.33 H new ATOM 0 HG21 THR A 56 0.853 -14.075 5.230 1.00 3.43 H new ATOM 0 HG22 THR A 56 1.239 -13.165 6.710 1.00 3.43 H new ATOM 0 HG23 THR A 56 1.496 -12.419 5.115 1.00 3.43 H new ATOM 794 N ARG A 57 4.812 -13.934 8.316 1.00 33.13 N ATOM 795 CA ARG A 57 5.767 -14.613 9.193 1.00 35.20 C ATOM 796 C ARG A 57 5.647 -16.130 9.096 1.00 2.12 C ATOM 797 O ARG A 57 4.750 -16.651 8.425 1.00 24.43 O ATOM 798 CB ARG A 57 5.597 -14.107 10.640 1.00 32.51 C ATOM 799 CG ARG A 57 5.765 -12.579 10.710 1.00 52.22 C ATOM 800 CD ARG A 57 6.572 -12.087 11.913 1.00 53.30 C ATOM 801 NE ARG A 57 7.737 -11.297 11.470 1.00 63.21 N ATOM 802 CZ ARG A 57 7.815 -9.962 11.415 1.00 60.01 C ATOM 803 NH1 ARG A 57 6.780 -9.194 11.740 1.00 63.11 N ATOM 804 NH2 ARG A 57 8.951 -9.399 11.029 1.00 73.00 N ATOM 0 H ARG A 57 3.946 -13.668 8.784 1.00 33.13 H new ATOM 0 HA ARG A 57 6.777 -14.370 8.863 1.00 35.20 H new ATOM 0 HB2 ARG A 57 4.612 -14.386 11.014 1.00 32.51 H new ATOM 0 HB3 ARG A 57 6.331 -14.588 11.286 1.00 32.51 H new ATOM 0 HG2 ARG A 57 6.252 -12.237 9.797 1.00 52.22 H new ATOM 0 HG3 ARG A 57 4.778 -12.118 10.737 1.00 52.22 H new ATOM 0 HD2 ARG A 57 5.938 -11.479 12.559 1.00 53.30 H new ATOM 0 HD3 ARG A 57 6.907 -12.938 12.505 1.00 53.30 H new ATOM 0 HE ARG A 57 8.563 -11.819 11.177 1.00 63.21 H new ATOM 0 HH11 ARG A 57 5.903 -9.620 12.039 1.00 63.11 H new ATOM 0 HH12 ARG A 57 6.863 -8.179 11.690 1.00 63.11 H new ATOM 0 HH21 ARG A 57 9.750 -9.982 10.779 1.00 73.00 H new ATOM 0 HH22 ARG A 57 9.026 -8.383 10.982 1.00 73.00 H new ATOM 815 N GLY A 58 6.474 -16.837 9.872 1.00 31.41 N ATOM 816 CA GLY A 58 6.321 -18.261 10.158 1.00 63.44 C ATOM 817 C GLY A 58 4.970 -18.615 10.786 1.00 43.31 C ATOM 818 O GLY A 58 4.642 -19.794 10.898 1.00 2.31 O ATOM 0 H GLY A 58 7.287 -16.422 10.328 1.00 31.41 H new ATOM 0 HA2 GLY A 58 6.442 -18.825 9.233 1.00 63.44 H new ATOM 0 HA3 GLY A 58 7.119 -18.577 10.830 1.00 63.44 H new ATOM 822 N ASP A 59 4.178 -17.622 11.198 1.00 24.53 N ATOM 823 CA ASP A 59 2.829 -17.795 11.736 1.00 40.35 C ATOM 824 C ASP A 59 1.739 -17.439 10.720 1.00 75.51 C ATOM 825 O ASP A 59 0.557 -17.429 11.056 1.00 13.04 O ATOM 826 CB ASP A 59 2.687 -16.983 13.035 1.00 73.30 C ATOM 827 CG ASP A 59 2.769 -17.916 14.233 1.00 42.44 C ATOM 828 OD1 ASP A 59 1.860 -18.766 14.379 1.00 54.44 O ATOM 829 OD2 ASP A 59 3.785 -17.871 14.961 1.00 54.11 O ATOM 0 H ASP A 59 4.469 -16.645 11.165 1.00 24.53 H new ATOM 0 HA ASP A 59 2.686 -18.852 11.961 1.00 40.35 H new ATOM 0 HB2 ASP A 59 3.474 -16.231 13.093 1.00 73.30 H new ATOM 0 HB3 ASP A 59 1.736 -16.451 13.041 1.00 73.30 H new ATOM 833 N GLY A 60 2.129 -17.080 9.489 1.00 20.22 N ATOM 834 CA GLY A 60 1.252 -16.483 8.489 1.00 4.30 C ATOM 835 C GLY A 60 0.735 -15.116 8.925 1.00 43.00 C ATOM 836 O GLY A 60 -0.218 -14.614 8.336 1.00 55.11 O ATOM 0 H GLY A 60 3.087 -17.202 9.160 1.00 20.22 H new ATOM 0 HA2 GLY A 60 1.791 -16.383 7.547 1.00 4.30 H new ATOM 0 HA3 GLY A 60 0.408 -17.148 8.304 1.00 4.30 H new ATOM 840 N GLU A 61 1.353 -14.519 9.945 1.00 15.22 N ATOM 841 CA GLU A 61 0.977 -13.240 10.515 1.00 44.01 C ATOM 842 C GLU A 61 1.475 -12.176 9.541 1.00 22.13 C ATOM 843 O GLU A 61 2.674 -12.149 9.238 1.00 4.23 O ATOM 844 CB GLU A 61 1.607 -13.189 11.912 1.00 53.13 C ATOM 845 CG GLU A 61 1.121 -12.039 12.805 1.00 51.24 C ATOM 846 CD GLU A 61 0.887 -12.522 14.251 1.00 31.11 C ATOM 847 OE1 GLU A 61 1.832 -13.060 14.877 1.00 3.34 O ATOM 848 OE2 GLU A 61 -0.235 -12.360 14.786 1.00 64.52 O ATOM 0 H GLU A 61 2.160 -14.936 10.409 1.00 15.22 H new ATOM 0 HA GLU A 61 -0.093 -13.077 10.644 1.00 44.01 H new ATOM 0 HB2 GLU A 61 1.405 -14.132 12.419 1.00 53.13 H new ATOM 0 HB3 GLU A 61 2.689 -13.111 11.803 1.00 53.13 H new ATOM 0 HG2 GLU A 61 1.857 -11.235 12.801 1.00 51.24 H new ATOM 0 HG3 GLU A 61 0.196 -11.627 12.402 1.00 51.24 H new ATOM 853 N ARG A 62 0.558 -11.417 8.934 1.00 43.14 N ATOM 854 CA ARG A 62 0.880 -10.484 7.853 1.00 41.24 C ATOM 855 C ARG A 62 1.373 -9.159 8.435 1.00 11.34 C ATOM 856 O ARG A 62 0.971 -8.781 9.536 1.00 11.13 O ATOM 857 CB ARG A 62 -0.355 -10.316 6.951 1.00 12.14 C ATOM 858 CG ARG A 62 -0.143 -9.387 5.746 1.00 31.31 C ATOM 859 CD ARG A 62 -1.305 -9.445 4.743 1.00 40.42 C ATOM 860 NE ARG A 62 -1.046 -10.392 3.644 1.00 24.35 N ATOM 861 CZ ARG A 62 -1.872 -11.291 3.099 1.00 0.31 C ATOM 862 NH1 ARG A 62 -2.984 -11.670 3.715 1.00 51.12 N ATOM 863 NH2 ARG A 62 -1.578 -11.829 1.925 1.00 60.33 N ATOM 0 H ARG A 62 -0.432 -11.433 9.180 1.00 43.14 H new ATOM 0 HA ARG A 62 1.690 -10.875 7.237 1.00 41.24 H new ATOM 0 HB2 ARG A 62 -0.660 -11.297 6.588 1.00 12.14 H new ATOM 0 HB3 ARG A 62 -1.178 -9.929 7.552 1.00 12.14 H new ATOM 0 HG2 ARG A 62 -0.023 -8.363 6.099 1.00 31.31 H new ATOM 0 HG3 ARG A 62 0.783 -9.660 5.240 1.00 31.31 H new ATOM 0 HD2 ARG A 62 -2.217 -9.736 5.263 1.00 40.42 H new ATOM 0 HD3 ARG A 62 -1.476 -8.451 4.331 1.00 40.42 H new ATOM 0 HE ARG A 62 -0.108 -10.357 3.244 1.00 24.35 H new ATOM 0 HH11 ARG A 62 -3.224 -11.274 4.624 1.00 51.12 H new ATOM 0 HH12 ARG A 62 -3.599 -12.358 3.280 1.00 51.12 H new ATOM 0 HH21 ARG A 62 -0.723 -11.557 1.439 1.00 60.33 H new ATOM 0 HH22 ARG A 62 -2.206 -12.515 1.507 1.00 60.33 H new ATOM 874 N PHE A 63 2.220 -8.436 7.701 1.00 42.23 N ATOM 875 CA PHE A 63 2.750 -7.141 8.106 1.00 43.31 C ATOM 876 C PHE A 63 3.158 -6.348 6.871 1.00 14.45 C ATOM 877 O PHE A 63 3.525 -6.924 5.846 1.00 61.20 O ATOM 878 CB PHE A 63 3.951 -7.321 9.054 1.00 0.31 C ATOM 879 CG PHE A 63 5.146 -8.090 8.503 1.00 24.21 C ATOM 880 CD1 PHE A 63 5.119 -9.500 8.455 1.00 20.41 C ATOM 881 CD2 PHE A 63 6.306 -7.406 8.077 1.00 52.33 C ATOM 882 CE1 PHE A 63 6.247 -10.207 8.001 1.00 34.43 C ATOM 883 CE2 PHE A 63 7.455 -8.123 7.696 1.00 11.24 C ATOM 884 CZ PHE A 63 7.426 -9.526 7.660 1.00 75.54 C ATOM 0 H PHE A 63 2.561 -8.744 6.790 1.00 42.23 H new ATOM 0 HA PHE A 63 1.976 -6.592 8.642 1.00 43.31 H new ATOM 0 HB2 PHE A 63 4.294 -6.333 9.361 1.00 0.31 H new ATOM 0 HB3 PHE A 63 3.603 -7.831 9.952 1.00 0.31 H new ATOM 0 HD1 PHE A 63 4.234 -10.035 8.766 1.00 20.41 H new ATOM 0 HD2 PHE A 63 6.311 -6.327 8.044 1.00 52.33 H new ATOM 0 HE1 PHE A 63 6.206 -11.283 7.914 1.00 34.43 H new ATOM 0 HE2 PHE A 63 8.359 -7.594 7.431 1.00 11.24 H new ATOM 0 HZ PHE A 63 8.307 -10.079 7.371 1.00 75.54 H new ATOM 893 N TRP A 64 3.152 -5.020 6.989 1.00 42.50 N ATOM 894 CA TRP A 64 3.670 -4.118 5.978 1.00 44.32 C ATOM 895 C TRP A 64 5.162 -3.944 6.203 1.00 64.03 C ATOM 896 O TRP A 64 5.593 -3.435 7.237 1.00 63.31 O ATOM 897 CB TRP A 64 2.954 -2.772 6.043 1.00 73.34 C ATOM 898 CG TRP A 64 1.495 -2.847 5.784 1.00 40.23 C ATOM 899 CD1 TRP A 64 0.502 -2.703 6.692 1.00 14.42 C ATOM 900 CD2 TRP A 64 0.863 -3.222 4.537 1.00 44.11 C ATOM 901 NE1 TRP A 64 -0.700 -3.002 6.087 1.00 53.32 N ATOM 902 CE2 TRP A 64 -0.526 -3.378 4.779 1.00 63.21 C ATOM 903 CE3 TRP A 64 1.338 -3.526 3.247 1.00 63.30 C ATOM 904 CZ2 TRP A 64 -1.389 -3.883 3.809 1.00 40.31 C ATOM 905 CZ3 TRP A 64 0.477 -4.044 2.265 1.00 63.52 C ATOM 906 CH2 TRP A 64 -0.885 -4.236 2.552 1.00 22.23 C ATOM 0 H TRP A 64 2.779 -4.539 7.807 1.00 42.50 H new ATOM 0 HA TRP A 64 3.496 -4.536 4.987 1.00 44.32 H new ATOM 0 HB2 TRP A 64 3.115 -2.335 7.028 1.00 73.34 H new ATOM 0 HB3 TRP A 64 3.407 -2.097 5.317 1.00 73.34 H new ATOM 0 HD1 TRP A 64 0.630 -2.403 7.722 1.00 14.42 H new ATOM 0 HE1 TRP A 64 -1.606 -2.950 6.553 1.00 53.32 H new ATOM 0 HE3 TRP A 64 2.378 -3.359 3.009 1.00 63.30 H new ATOM 0 HZ2 TRP A 64 -2.440 -4.001 4.026 1.00 40.31 H new ATOM 0 HZ3 TRP A 64 0.863 -4.295 1.288 1.00 63.52 H new ATOM 0 HH2 TRP A 64 -1.542 -4.655 1.804 1.00 22.23 H new ATOM 916 N MET A 65 5.954 -4.373 5.240 1.00 60.42 N ATOM 917 CA MET A 65 7.397 -4.246 5.240 1.00 63.21 C ATOM 918 C MET A 65 7.897 -3.192 4.248 1.00 64.44 C ATOM 919 O MET A 65 7.131 -2.655 3.442 1.00 54.23 O ATOM 920 CB MET A 65 7.996 -5.619 4.967 1.00 1.55 C ATOM 921 CG MET A 65 7.819 -6.133 3.534 1.00 4.15 C ATOM 922 SD MET A 65 9.389 -6.654 2.793 1.00 42.23 S ATOM 923 CE MET A 65 9.853 -7.916 4.007 1.00 44.22 C ATOM 0 H MET A 65 5.596 -4.837 4.405 1.00 60.42 H new ATOM 0 HA MET A 65 7.723 -3.890 6.217 1.00 63.21 H new ATOM 0 HB2 MET A 65 9.061 -5.585 5.195 1.00 1.55 H new ATOM 0 HB3 MET A 65 7.546 -6.337 5.652 1.00 1.55 H new ATOM 0 HG2 MET A 65 7.124 -6.972 3.534 1.00 4.15 H new ATOM 0 HG3 MET A 65 7.373 -5.350 2.922 1.00 4.15 H new ATOM 0 HE1 MET A 65 10.473 -8.673 3.526 1.00 44.22 H new ATOM 0 HE2 MET A 65 10.412 -7.451 4.819 1.00 44.22 H new ATOM 0 HE3 MET A 65 8.954 -8.384 4.407 1.00 44.22 H new ATOM 931 N GLN A 66 9.208 -2.935 4.278 1.00 60.31 N ATOM 932 CA GLN A 66 9.914 -2.043 3.366 1.00 41.54 C ATOM 933 C GLN A 66 10.949 -2.827 2.547 1.00 61.44 C ATOM 934 O GLN A 66 12.116 -2.906 2.937 1.00 60.24 O ATOM 935 CB GLN A 66 10.536 -0.862 4.132 1.00 72.11 C ATOM 936 CG GLN A 66 9.459 -0.001 4.808 1.00 22.12 C ATOM 937 CD GLN A 66 9.937 1.415 5.112 1.00 0.14 C ATOM 938 OE1 GLN A 66 10.594 2.059 4.300 1.00 20.24 O ATOM 939 NE2 GLN A 66 9.521 2.006 6.214 1.00 14.11 N ATOM 0 H GLN A 66 9.827 -3.362 4.967 1.00 60.31 H new ATOM 0 HA GLN A 66 9.202 -1.617 2.659 1.00 41.54 H new ATOM 0 HB2 GLN A 66 11.228 -1.239 4.885 1.00 72.11 H new ATOM 0 HB3 GLN A 66 11.117 -0.247 3.445 1.00 72.11 H new ATOM 0 HG2 GLN A 66 8.582 0.048 4.163 1.00 22.12 H new ATOM 0 HG3 GLN A 66 9.146 -0.481 5.736 1.00 22.12 H new ATOM 0 HE21 GLN A 66 8.974 1.483 6.898 1.00 14.11 H new ATOM 0 HE22 GLN A 66 9.746 2.986 6.383 1.00 14.11 H new ATOM 946 N PRO A 67 10.557 -3.446 1.418 1.00 53.14 N ATOM 947 CA PRO A 67 11.496 -4.185 0.574 1.00 34.11 C ATOM 948 C PRO A 67 12.438 -3.242 -0.181 1.00 51.33 C ATOM 949 O PRO A 67 13.599 -3.592 -0.431 1.00 44.35 O ATOM 950 CB PRO A 67 10.619 -4.995 -0.382 1.00 55.51 C ATOM 951 CG PRO A 67 9.335 -4.174 -0.480 1.00 3.10 C ATOM 952 CD PRO A 67 9.198 -3.538 0.898 1.00 73.25 C ATOM 0 HA PRO A 67 12.150 -4.829 1.163 1.00 34.11 H new ATOM 0 HB2 PRO A 67 11.093 -5.114 -1.356 1.00 55.51 H new ATOM 0 HB3 PRO A 67 10.426 -5.996 0.003 1.00 55.51 H new ATOM 0 HG2 PRO A 67 9.403 -3.419 -1.263 1.00 3.10 H new ATOM 0 HG3 PRO A 67 8.476 -4.802 -0.717 1.00 3.10 H new ATOM 0 HD2 PRO A 67 8.735 -2.553 0.832 1.00 73.25 H new ATOM 0 HD3 PRO A 67 8.568 -4.144 1.550 1.00 73.25 H new ATOM 957 N VAL A 68 11.940 -2.056 -0.539 1.00 52.42 N ATOM 958 CA VAL A 68 12.700 -0.938 -1.068 1.00 14.44 C ATOM 959 C VAL A 68 13.236 -0.142 0.115 1.00 71.21 C ATOM 960 O VAL A 68 12.538 0.075 1.107 1.00 2.11 O ATOM 961 CB VAL A 68 11.824 -0.121 -2.056 1.00 1.50 C ATOM 962 CG1 VAL A 68 10.421 0.228 -1.518 1.00 33.15 C ATOM 963 CG2 VAL A 68 12.510 1.166 -2.541 1.00 42.55 C ATOM 0 H VAL A 68 10.945 -1.846 -0.461 1.00 52.42 H new ATOM 0 HA VAL A 68 13.558 -1.263 -1.657 1.00 14.44 H new ATOM 0 HB VAL A 68 11.697 -0.799 -2.900 1.00 1.50 H new ATOM 0 HG11 VAL A 68 9.875 0.799 -2.269 1.00 33.15 H new ATOM 0 HG12 VAL A 68 9.878 -0.690 -1.294 1.00 33.15 H new ATOM 0 HG13 VAL A 68 10.517 0.823 -0.610 1.00 33.15 H new ATOM 0 HG21 VAL A 68 11.849 1.694 -3.229 1.00 42.55 H new ATOM 0 HG22 VAL A 68 12.730 1.806 -1.686 1.00 42.55 H new ATOM 0 HG23 VAL A 68 13.438 0.913 -3.053 1.00 42.55 H new ATOM 973 N ARG A 69 14.494 0.275 0.010 1.00 33.43 N ATOM 974 CA ARG A 69 15.261 0.951 1.043 1.00 60.01 C ATOM 975 C ARG A 69 15.872 2.194 0.411 1.00 23.41 C ATOM 976 O ARG A 69 17.087 2.318 0.236 1.00 22.30 O ATOM 977 CB ARG A 69 16.318 0.003 1.616 1.00 61.43 C ATOM 978 CG ARG A 69 17.159 -0.727 0.556 1.00 63.24 C ATOM 979 CD ARG A 69 16.589 -2.100 0.209 1.00 4.21 C ATOM 980 NE ARG A 69 17.441 -3.148 0.784 1.00 55.34 N ATOM 981 CZ ARG A 69 17.117 -4.408 1.057 1.00 21.34 C ATOM 982 NH1 ARG A 69 15.897 -4.873 0.805 1.00 15.50 N ATOM 983 NH2 ARG A 69 18.051 -5.192 1.582 1.00 44.21 N ATOM 0 H ARG A 69 15.032 0.142 -0.846 1.00 33.43 H new ATOM 0 HA ARG A 69 14.632 1.250 1.881 1.00 60.01 H new ATOM 0 HB2 ARG A 69 16.986 0.572 2.263 1.00 61.43 H new ATOM 0 HB3 ARG A 69 15.822 -0.738 2.242 1.00 61.43 H new ATOM 0 HG2 ARG A 69 17.210 -0.118 -0.347 1.00 63.24 H new ATOM 0 HG3 ARG A 69 18.180 -0.841 0.921 1.00 63.24 H new ATOM 0 HD2 ARG A 69 15.573 -2.191 0.594 1.00 4.21 H new ATOM 0 HD3 ARG A 69 16.531 -2.218 -0.873 1.00 4.21 H new ATOM 0 HE ARG A 69 18.400 -2.876 1.001 1.00 55.34 H new ATOM 0 HH11 ARG A 69 15.192 -4.260 0.396 1.00 15.50 H new ATOM 0 HH12 ARG A 69 15.666 -5.843 1.021 1.00 15.50 H new ATOM 0 HH21 ARG A 69 18.984 -4.822 1.764 1.00 44.21 H new ATOM 0 HH22 ARG A 69 17.836 -6.164 1.803 1.00 44.21 H new ATOM 994 N SER A 70 14.994 3.074 -0.035 1.00 43.32 N ATOM 995 CA SER A 70 15.353 4.276 -0.746 1.00 3.34 C ATOM 996 C SER A 70 14.349 5.358 -0.397 1.00 52.54 C ATOM 997 O SER A 70 13.144 5.112 -0.394 1.00 2.32 O ATOM 998 CB SER A 70 15.327 3.978 -2.240 1.00 0.13 C ATOM 999 OG SER A 70 16.587 3.514 -2.678 1.00 74.25 O ATOM 0 H SER A 70 13.988 2.965 0.093 1.00 43.32 H new ATOM 0 HA SER A 70 16.351 4.616 -0.469 1.00 3.34 H new ATOM 0 HB2 SER A 70 14.564 3.230 -2.453 1.00 0.13 H new ATOM 0 HB3 SER A 70 15.054 4.878 -2.791 1.00 0.13 H new ATOM 0 HG SER A 70 17.048 3.069 -1.936 1.00 74.25 H new ATOM 1004 N THR A 71 14.841 6.568 -0.147 1.00 32.31 N ATOM 1005 CA THR A 71 14.045 7.724 0.252 1.00 33.24 C ATOM 1006 C THR A 71 13.983 8.756 -0.892 1.00 2.51 C ATOM 1007 O THR A 71 13.898 9.965 -0.680 1.00 71.44 O ATOM 1008 CB THR A 71 14.442 8.162 1.665 1.00 52.13 C ATOM 1009 OG1 THR A 71 13.546 9.099 2.216 1.00 4.15 O ATOM 1010 CG2 THR A 71 15.842 8.716 1.649 1.00 44.13 C ATOM 0 H THR A 71 15.837 6.777 -0.219 1.00 32.31 H new ATOM 0 HA THR A 71 12.986 7.498 0.381 1.00 33.24 H new ATOM 0 HB THR A 71 14.401 7.280 2.305 1.00 52.13 H new ATOM 0 HG1 THR A 71 13.294 9.753 1.531 1.00 4.15 H new ATOM 0 HG21 THR A 71 16.122 9.027 2.656 1.00 44.13 H new ATOM 0 HG22 THR A 71 16.533 7.948 1.301 1.00 44.13 H new ATOM 0 HG23 THR A 71 15.886 9.574 0.979 1.00 44.13 H new ATOM 1018 N PHE A 72 14.052 8.278 -2.137 1.00 21.11 N ATOM 1019 CA PHE A 72 13.931 9.070 -3.351 1.00 2.53 C ATOM 1020 C PHE A 72 12.711 8.543 -4.096 1.00 62.01 C ATOM 1021 O PHE A 72 12.568 7.330 -4.261 1.00 22.05 O ATOM 1022 CB PHE A 72 15.208 8.935 -4.212 1.00 31.32 C ATOM 1023 CG PHE A 72 15.961 10.206 -4.570 1.00 35.15 C ATOM 1024 CD1 PHE A 72 15.311 11.447 -4.720 1.00 2.33 C ATOM 1025 CD2 PHE A 72 17.356 10.140 -4.763 1.00 75.40 C ATOM 1026 CE1 PHE A 72 16.057 12.602 -5.005 1.00 55.21 C ATOM 1027 CE2 PHE A 72 18.095 11.288 -5.089 1.00 52.24 C ATOM 1028 CZ PHE A 72 17.445 12.527 -5.198 1.00 71.22 C ATOM 0 H PHE A 72 14.200 7.287 -2.328 1.00 21.11 H new ATOM 0 HA PHE A 72 13.814 10.129 -3.122 1.00 2.53 H new ATOM 0 HB2 PHE A 72 15.898 8.274 -3.686 1.00 31.32 H new ATOM 0 HB3 PHE A 72 14.934 8.436 -5.141 1.00 31.32 H new ATOM 0 HD1 PHE A 72 14.238 11.510 -4.616 1.00 2.33 H new ATOM 0 HD2 PHE A 72 17.863 9.192 -4.658 1.00 75.40 H new ATOM 0 HE1 PHE A 72 15.558 13.557 -5.076 1.00 55.21 H new ATOM 0 HE2 PHE A 72 19.160 11.218 -5.255 1.00 52.24 H new ATOM 0 HZ PHE A 72 18.010 13.418 -5.429 1.00 71.22 H new ATOM 1037 N GLU A 73 11.849 9.449 -4.554 1.00 2.23 N ATOM 1038 CA GLU A 73 10.704 9.142 -5.401 1.00 31.03 C ATOM 1039 C GLU A 73 11.044 8.182 -6.553 1.00 14.35 C ATOM 1040 O GLU A 73 10.390 7.152 -6.623 1.00 12.43 O ATOM 1041 CB GLU A 73 10.060 10.436 -5.924 1.00 44.50 C ATOM 1042 CG GLU A 73 8.723 10.769 -5.238 1.00 53.12 C ATOM 1043 CD GLU A 73 7.598 10.949 -6.251 1.00 53.12 C ATOM 1044 OE1 GLU A 73 7.733 11.855 -7.103 1.00 0.44 O ATOM 1045 OE2 GLU A 73 6.573 10.243 -6.118 1.00 42.20 O ATOM 0 H GLU A 73 11.932 10.443 -4.339 1.00 2.23 H new ATOM 0 HA GLU A 73 9.982 8.616 -4.777 1.00 31.03 H new ATOM 0 HB2 GLU A 73 10.753 11.264 -5.776 1.00 44.50 H new ATOM 0 HB3 GLU A 73 9.897 10.345 -6.998 1.00 44.50 H new ATOM 0 HG2 GLU A 73 8.462 9.971 -4.543 1.00 53.12 H new ATOM 0 HG3 GLU A 73 8.833 11.680 -4.650 1.00 53.12 H new ATOM 1050 N PRO A 74 12.050 8.416 -7.422 1.00 23.12 N ATOM 1051 CA PRO A 74 12.314 7.521 -8.558 1.00 4.33 C ATOM 1052 C PRO A 74 12.774 6.103 -8.167 1.00 41.33 C ATOM 1053 O PRO A 74 12.977 5.269 -9.050 1.00 21.12 O ATOM 1054 CB PRO A 74 13.348 8.247 -9.425 1.00 20.34 C ATOM 1055 CG PRO A 74 14.038 9.186 -8.444 1.00 53.22 C ATOM 1056 CD PRO A 74 12.912 9.587 -7.499 1.00 0.42 C ATOM 0 HA PRO A 74 11.386 7.331 -9.097 1.00 4.33 H new ATOM 0 HB2 PRO A 74 14.053 7.550 -9.877 1.00 20.34 H new ATOM 0 HB3 PRO A 74 12.875 8.795 -10.240 1.00 20.34 H new ATOM 0 HG2 PRO A 74 14.851 8.689 -7.914 1.00 53.22 H new ATOM 0 HG3 PRO A 74 14.468 10.051 -8.949 1.00 53.22 H new ATOM 0 HD2 PRO A 74 13.299 9.858 -6.517 1.00 0.42 H new ATOM 0 HD3 PRO A 74 12.369 10.453 -7.877 1.00 0.42 H new ATOM 1061 N ASP A 75 12.940 5.807 -6.874 1.00 22.43 N ATOM 1062 CA ASP A 75 13.408 4.522 -6.373 1.00 21.44 C ATOM 1063 C ASP A 75 12.270 3.811 -5.643 1.00 51.54 C ATOM 1064 O ASP A 75 12.025 2.624 -5.869 1.00 20.41 O ATOM 1065 CB ASP A 75 14.576 4.736 -5.403 1.00 62.04 C ATOM 1066 CG ASP A 75 15.785 5.481 -5.976 1.00 42.54 C ATOM 1067 OD1 ASP A 75 16.055 5.400 -7.195 1.00 42.12 O ATOM 1068 OD2 ASP A 75 16.515 6.139 -5.198 1.00 63.13 O ATOM 0 H ASP A 75 12.745 6.478 -6.130 1.00 22.43 H new ATOM 0 HA ASP A 75 13.742 3.912 -7.213 1.00 21.44 H new ATOM 0 HB2 ASP A 75 14.209 5.287 -4.537 1.00 62.04 H new ATOM 0 HB3 ASP A 75 14.909 3.762 -5.043 1.00 62.04 H new ATOM 1072 N LEU A 76 11.584 4.541 -4.752 1.00 3.52 N ATOM 1073 CA LEU A 76 10.357 4.111 -4.083 1.00 31.25 C ATOM 1074 C LEU A 76 9.296 3.879 -5.119 1.00 62.41 C ATOM 1075 O LEU A 76 8.796 2.770 -5.210 1.00 35.32 O ATOM 1076 CB LEU A 76 9.981 5.031 -2.919 1.00 71.20 C ATOM 1077 CG LEU A 76 9.514 6.440 -3.169 1.00 71.40 C ATOM 1078 CD1 LEU A 76 7.999 6.396 -3.286 1.00 53.34 C ATOM 1079 CD2 LEU A 76 9.920 7.348 -2.004 1.00 43.23 C ATOM 0 H LEU A 76 11.881 5.476 -4.471 1.00 3.52 H new ATOM 0 HA LEU A 76 10.504 3.154 -3.582 1.00 31.25 H new ATOM 0 HB2 LEU A 76 9.195 4.529 -2.355 1.00 71.20 H new ATOM 0 HB3 LEU A 76 10.852 5.093 -2.266 1.00 71.20 H new ATOM 0 HG LEU A 76 9.965 6.838 -4.078 1.00 71.40 H new ATOM 0 HD11 LEU A 76 7.619 7.401 -3.468 1.00 53.34 H new ATOM 0 HD12 LEU A 76 7.717 5.746 -4.114 1.00 53.34 H new ATOM 0 HD13 LEU A 76 7.574 6.010 -2.360 1.00 53.34 H new ATOM 0 HD21 LEU A 76 9.576 8.364 -2.198 1.00 43.23 H new ATOM 0 HD22 LEU A 76 9.468 6.981 -1.082 1.00 43.23 H new ATOM 0 HD23 LEU A 76 11.005 7.346 -1.902 1.00 43.23 H new ATOM 1090 N ASP A 77 8.979 4.884 -5.914 1.00 0.25 N ATOM 1091 CA ASP A 77 7.764 4.860 -6.706 1.00 14.15 C ATOM 1092 C ASP A 77 7.913 3.831 -7.826 1.00 41.51 C ATOM 1093 O ASP A 77 6.980 3.091 -8.140 1.00 15.51 O ATOM 1094 CB ASP A 77 7.479 6.271 -7.250 1.00 12.15 C ATOM 1095 CG ASP A 77 6.060 6.393 -7.792 1.00 13.12 C ATOM 1096 OD1 ASP A 77 5.162 6.727 -6.979 1.00 60.20 O ATOM 1097 OD2 ASP A 77 5.884 6.179 -9.014 1.00 23.05 O ATOM 0 H ASP A 77 9.545 5.725 -6.028 1.00 0.25 H new ATOM 0 HA ASP A 77 6.913 4.565 -6.093 1.00 14.15 H new ATOM 0 HB2 ASP A 77 7.629 7.003 -6.457 1.00 12.15 H new ATOM 0 HB3 ASP A 77 8.191 6.506 -8.041 1.00 12.15 H new ATOM 1101 N ALA A 78 9.140 3.684 -8.343 1.00 53.12 N ATOM 1102 CA ALA A 78 9.504 2.633 -9.283 1.00 1.15 C ATOM 1103 C ALA A 78 9.280 1.227 -8.722 1.00 60.32 C ATOM 1104 O ALA A 78 9.059 0.312 -9.512 1.00 43.44 O ATOM 1105 CB ALA A 78 10.971 2.777 -9.682 1.00 24.32 C ATOM 0 H ALA A 78 9.915 4.306 -8.112 1.00 53.12 H new ATOM 0 HA ALA A 78 8.853 2.752 -10.149 1.00 1.15 H new ATOM 0 HB1 ALA A 78 11.236 1.987 -10.385 1.00 24.32 H new ATOM 0 HB2 ALA A 78 11.127 3.748 -10.151 1.00 24.32 H new ATOM 0 HB3 ALA A 78 11.599 2.698 -8.794 1.00 24.32 H new ATOM 1111 N TYR A 79 9.316 1.019 -7.397 1.00 33.14 N ATOM 1112 CA TYR A 79 9.004 -0.285 -6.814 1.00 21.40 C ATOM 1113 C TYR A 79 7.617 -0.731 -7.254 1.00 35.40 C ATOM 1114 O TYR A 79 7.421 -1.871 -7.679 1.00 72.02 O ATOM 1115 CB TYR A 79 8.982 -0.258 -5.279 1.00 42.23 C ATOM 1116 CG TYR A 79 8.613 -1.583 -4.644 1.00 20.23 C ATOM 1117 CD1 TYR A 79 9.056 -2.816 -5.166 1.00 12.40 C ATOM 1118 CD2 TYR A 79 7.706 -1.564 -3.578 1.00 13.24 C ATOM 1119 CE1 TYR A 79 8.602 -4.023 -4.612 1.00 52.53 C ATOM 1120 CE2 TYR A 79 7.247 -2.761 -3.015 1.00 60.24 C ATOM 1121 CZ TYR A 79 7.685 -3.998 -3.540 1.00 61.44 C ATOM 1122 OH TYR A 79 7.223 -5.158 -3.010 1.00 73.03 O ATOM 0 H TYR A 79 9.558 1.738 -6.715 1.00 33.14 H new ATOM 0 HA TYR A 79 9.786 -0.962 -7.157 1.00 21.40 H new ATOM 0 HB2 TYR A 79 9.964 0.045 -4.917 1.00 42.23 H new ATOM 0 HB3 TYR A 79 8.273 0.501 -4.949 1.00 42.23 H new ATOM 0 HD1 TYR A 79 9.747 -2.831 -5.995 1.00 12.40 H new ATOM 0 HD2 TYR A 79 7.358 -0.619 -3.187 1.00 13.24 H new ATOM 0 HE1 TYR A 79 8.953 -4.966 -5.004 1.00 52.53 H new ATOM 0 HE2 TYR A 79 6.560 -2.739 -2.182 1.00 60.24 H new ATOM 0 HH TYR A 79 7.905 -5.855 -3.104 1.00 73.03 H new ATOM 1131 N ALA A 80 6.654 0.180 -7.126 1.00 72.31 N ATOM 1132 CA ALA A 80 5.267 -0.124 -7.370 1.00 63.40 C ATOM 1133 C ALA A 80 5.060 -0.546 -8.829 1.00 63.03 C ATOM 1134 O ALA A 80 4.334 -1.508 -9.100 1.00 21.11 O ATOM 1135 CB ALA A 80 4.412 1.074 -6.945 1.00 4.33 C ATOM 0 H ALA A 80 6.825 1.147 -6.850 1.00 72.31 H new ATOM 0 HA ALA A 80 4.947 -0.976 -6.770 1.00 63.40 H new ATOM 0 HB1 ALA A 80 3.360 0.853 -7.126 1.00 4.33 H new ATOM 0 HB2 ALA A 80 4.564 1.271 -5.884 1.00 4.33 H new ATOM 0 HB3 ALA A 80 4.703 1.952 -7.522 1.00 4.33 H new ATOM 1141 N GLU A 81 5.765 0.094 -9.766 1.00 0.11 N ATOM 1142 CA GLU A 81 5.691 -0.269 -11.171 1.00 35.15 C ATOM 1143 C GLU A 81 6.393 -1.606 -11.384 1.00 23.22 C ATOM 1144 O GLU A 81 5.890 -2.471 -12.110 1.00 52.34 O ATOM 1145 CB GLU A 81 6.322 0.805 -12.075 1.00 4.31 C ATOM 1146 CG GLU A 81 5.825 2.225 -11.769 1.00 61.00 C ATOM 1147 CD GLU A 81 5.995 3.224 -12.916 1.00 63.30 C ATOM 1148 OE1 GLU A 81 6.752 2.955 -13.880 1.00 54.33 O ATOM 1149 OE2 GLU A 81 5.301 4.267 -12.871 1.00 14.32 O ATOM 0 H GLU A 81 6.396 0.871 -9.568 1.00 0.11 H new ATOM 0 HA GLU A 81 4.639 -0.350 -11.445 1.00 35.15 H new ATOM 0 HB2 GLU A 81 7.406 0.775 -11.962 1.00 4.31 H new ATOM 0 HB3 GLU A 81 6.104 0.568 -13.116 1.00 4.31 H new ATOM 0 HG2 GLU A 81 4.769 2.176 -11.502 1.00 61.00 H new ATOM 0 HG3 GLU A 81 6.358 2.601 -10.896 1.00 61.00 H new ATOM 1154 N ARG A 82 7.547 -1.787 -10.735 1.00 21.30 N ATOM 1155 CA ARG A 82 8.398 -2.950 -10.878 1.00 73.02 C ATOM 1156 C ARG A 82 7.663 -4.211 -10.472 1.00 3.21 C ATOM 1157 O ARG A 82 7.688 -5.190 -11.211 1.00 1.32 O ATOM 1158 CB ARG A 82 9.671 -2.773 -10.030 1.00 31.10 C ATOM 1159 CG ARG A 82 10.626 -3.971 -10.149 1.00 63.32 C ATOM 1160 CD ARG A 82 11.242 -4.335 -8.790 1.00 13.44 C ATOM 1161 NE ARG A 82 11.713 -5.725 -8.789 1.00 3.24 N ATOM 1162 CZ ARG A 82 12.712 -6.225 -9.515 1.00 41.13 C ATOM 1163 NH1 ARG A 82 13.513 -5.417 -10.199 1.00 53.32 N ATOM 1164 NH2 ARG A 82 12.888 -7.539 -9.564 1.00 21.23 N ATOM 0 H ARG A 82 7.918 -1.101 -10.077 1.00 21.30 H new ATOM 0 HA ARG A 82 8.679 -3.048 -11.927 1.00 73.02 H new ATOM 0 HB2 ARG A 82 10.189 -1.866 -10.343 1.00 31.10 H new ATOM 0 HB3 ARG A 82 9.392 -2.637 -8.985 1.00 31.10 H new ATOM 0 HG2 ARG A 82 10.086 -4.830 -10.547 1.00 63.32 H new ATOM 0 HG3 ARG A 82 11.419 -3.736 -10.859 1.00 63.32 H new ATOM 0 HD2 ARG A 82 12.073 -3.664 -8.570 1.00 13.44 H new ATOM 0 HD3 ARG A 82 10.503 -4.196 -8.001 1.00 13.44 H new ATOM 0 HE ARG A 82 11.226 -6.374 -8.170 1.00 3.24 H new ATOM 0 HH11 ARG A 82 13.365 -4.408 -10.170 1.00 53.32 H new ATOM 0 HH12 ARG A 82 14.276 -5.805 -10.753 1.00 53.32 H new ATOM 0 HH21 ARG A 82 12.261 -8.157 -9.049 1.00 21.23 H new ATOM 0 HH22 ARG A 82 13.650 -7.931 -10.117 1.00 21.23 H new ATOM 1175 N ALA A 83 7.057 -4.229 -9.291 1.00 61.01 N ATOM 1176 CA ALA A 83 6.403 -5.434 -8.817 1.00 74.24 C ATOM 1177 C ALA A 83 5.255 -5.787 -9.774 1.00 63.23 C ATOM 1178 O ALA A 83 5.148 -6.923 -10.231 1.00 20.13 O ATOM 1179 CB ALA A 83 5.979 -5.218 -7.362 1.00 52.25 C ATOM 0 H ALA A 83 7.007 -3.433 -8.655 1.00 61.01 H new ATOM 0 HA ALA A 83 7.070 -6.296 -8.818 1.00 74.24 H new ATOM 0 HB1 ALA A 83 5.485 -6.116 -6.990 1.00 52.25 H new ATOM 0 HB2 ALA A 83 6.859 -5.009 -6.754 1.00 52.25 H new ATOM 0 HB3 ALA A 83 5.290 -4.375 -7.305 1.00 52.25 H new ATOM 1185 N ALA A 84 4.480 -4.788 -10.214 1.00 2.13 N ATOM 1186 CA ALA A 84 3.365 -5.001 -11.139 1.00 1.34 C ATOM 1187 C ALA A 84 3.793 -5.511 -12.522 1.00 0.23 C ATOM 1188 O ALA A 84 2.936 -5.929 -13.304 1.00 43.34 O ATOM 1189 CB ALA A 84 2.568 -3.701 -11.280 1.00 51.11 C ATOM 0 H ALA A 84 4.609 -3.814 -9.939 1.00 2.13 H new ATOM 0 HA ALA A 84 2.746 -5.789 -10.709 1.00 1.34 H new ATOM 0 HB1 ALA A 84 1.737 -3.856 -11.968 1.00 51.11 H new ATOM 0 HB2 ALA A 84 2.181 -3.404 -10.305 1.00 51.11 H new ATOM 0 HB3 ALA A 84 3.218 -2.916 -11.667 1.00 51.11 H new ATOM 1195 N ARG A 85 5.088 -5.489 -12.851 1.00 32.22 N ATOM 1196 CA ARG A 85 5.614 -5.973 -14.128 1.00 33.42 C ATOM 1197 C ARG A 85 5.700 -7.494 -14.201 1.00 53.25 C ATOM 1198 O ARG A 85 5.807 -8.025 -15.307 1.00 33.24 O ATOM 1199 CB ARG A 85 7.005 -5.372 -14.366 1.00 24.20 C ATOM 1200 CG ARG A 85 7.015 -4.383 -15.521 1.00 33.51 C ATOM 1201 CD ARG A 85 8.434 -3.827 -15.623 1.00 20.50 C ATOM 1202 NE ARG A 85 8.447 -2.656 -16.502 1.00 63.01 N ATOM 1203 CZ ARG A 85 9.409 -1.749 -16.671 1.00 31.03 C ATOM 1204 NH1 ARG A 85 10.601 -1.859 -16.091 1.00 1.31 N ATOM 1205 NH2 ARG A 85 9.157 -0.724 -17.461 1.00 15.14 N ATOM 0 H ARG A 85 5.810 -5.129 -12.227 1.00 32.22 H new ATOM 0 HA ARG A 85 4.916 -5.655 -14.902 1.00 33.42 H new ATOM 0 HB2 ARG A 85 7.342 -4.871 -13.459 1.00 24.20 H new ATOM 0 HB3 ARG A 85 7.715 -6.174 -14.570 1.00 24.20 H new ATOM 0 HG2 ARG A 85 6.726 -4.873 -16.451 1.00 33.51 H new ATOM 0 HG3 ARG A 85 6.298 -3.580 -15.347 1.00 33.51 H new ATOM 0 HD2 ARG A 85 8.799 -3.554 -14.633 1.00 20.50 H new ATOM 0 HD3 ARG A 85 9.107 -4.592 -16.011 1.00 20.50 H new ATOM 0 HE ARG A 85 7.605 -2.515 -17.061 1.00 63.01 H new ATOM 0 HH11 ARG A 85 10.805 -2.659 -15.492 1.00 1.31 H new ATOM 0 HH12 ARG A 85 11.311 -1.143 -16.245 1.00 1.31 H new ATOM 0 HH21 ARG A 85 8.249 -0.645 -17.919 1.00 15.14 H new ATOM 0 HH22 ARG A 85 9.870 -0.010 -17.614 1.00 15.14 H new ATOM 1216 N ILE A 86 5.735 -8.188 -13.066 1.00 15.02 N ATOM 1217 CA ILE A 86 5.772 -9.655 -13.023 1.00 64.25 C ATOM 1218 C ILE A 86 4.534 -10.203 -12.305 1.00 4.00 C ATOM 1219 O ILE A 86 4.151 -11.350 -12.535 1.00 72.45 O ATOM 1220 CB ILE A 86 7.093 -10.187 -12.402 1.00 42.34 C ATOM 1221 CG1 ILE A 86 8.372 -9.508 -12.947 1.00 15.30 C ATOM 1222 CG2 ILE A 86 7.233 -11.703 -12.670 1.00 55.05 C ATOM 1223 CD1 ILE A 86 8.804 -8.258 -12.168 1.00 4.44 C ATOM 0 H ILE A 86 5.739 -7.751 -12.144 1.00 15.02 H new ATOM 0 HA ILE A 86 5.751 -10.021 -14.049 1.00 64.25 H new ATOM 0 HB ILE A 86 7.016 -9.958 -11.339 1.00 42.34 H new ATOM 0 HG12 ILE A 86 9.188 -10.231 -12.932 1.00 15.30 H new ATOM 0 HG13 ILE A 86 8.208 -9.234 -13.989 1.00 15.30 H new ATOM 0 HG21 ILE A 86 8.162 -12.066 -12.231 1.00 55.05 H new ATOM 0 HG22 ILE A 86 6.390 -12.231 -12.224 1.00 55.05 H new ATOM 0 HG23 ILE A 86 7.246 -11.883 -13.745 1.00 55.05 H new ATOM 0 HD11 ILE A 86 9.708 -7.845 -12.616 1.00 4.44 H new ATOM 0 HD12 ILE A 86 8.008 -7.514 -12.204 1.00 4.44 H new ATOM 0 HD13 ILE A 86 9.003 -8.527 -11.131 1.00 4.44 H new ATOM 1234 N ASP A 87 3.879 -9.397 -11.474 1.00 55.25 N ATOM 1235 CA ASP A 87 2.833 -9.838 -10.561 1.00 75.34 C ATOM 1236 C ASP A 87 1.491 -9.299 -11.060 1.00 63.11 C ATOM 1237 O ASP A 87 1.109 -8.195 -10.668 1.00 22.34 O ATOM 1238 CB ASP A 87 3.160 -9.405 -9.120 1.00 44.43 C ATOM 1239 CG ASP A 87 4.445 -10.045 -8.596 1.00 24.42 C ATOM 1240 OD1 ASP A 87 5.555 -9.587 -8.928 1.00 24.50 O ATOM 1241 OD2 ASP A 87 4.365 -11.053 -7.857 1.00 31.31 O ATOM 0 H ASP A 87 4.066 -8.396 -11.417 1.00 55.25 H new ATOM 0 HA ASP A 87 2.771 -10.926 -10.541 1.00 75.34 H new ATOM 0 HB2 ASP A 87 3.257 -8.320 -9.083 1.00 44.43 H new ATOM 0 HB3 ASP A 87 2.331 -9.674 -8.466 1.00 44.43 H new ATOM 1245 N PRO A 88 0.775 -9.983 -11.979 1.00 32.34 N ATOM 1246 CA PRO A 88 -0.581 -9.579 -12.350 1.00 24.33 C ATOM 1247 C PRO A 88 -1.525 -9.633 -11.147 1.00 32.11 C ATOM 1248 O PRO A 88 -2.522 -8.917 -11.118 1.00 12.33 O ATOM 1249 CB PRO A 88 -1.040 -10.571 -13.428 1.00 41.01 C ATOM 1250 CG PRO A 88 -0.204 -11.819 -13.151 1.00 2.14 C ATOM 1251 CD PRO A 88 1.108 -11.254 -12.609 1.00 54.21 C ATOM 0 HA PRO A 88 -0.593 -8.551 -12.712 1.00 24.33 H new ATOM 0 HB2 PRO A 88 -2.107 -10.779 -13.352 1.00 41.01 H new ATOM 0 HB3 PRO A 88 -0.861 -10.184 -14.431 1.00 41.01 H new ATOM 0 HG2 PRO A 88 -0.688 -12.475 -12.427 1.00 2.14 H new ATOM 0 HG3 PRO A 88 -0.045 -12.405 -14.056 1.00 2.14 H new ATOM 0 HD2 PRO A 88 1.559 -11.938 -11.890 1.00 54.21 H new ATOM 0 HD3 PRO A 88 1.832 -11.113 -13.412 1.00 54.21 H new ATOM 1256 N ASP A 89 -1.208 -10.459 -10.154 1.00 0.31 N ATOM 1257 CA ASP A 89 -2.000 -10.707 -8.962 1.00 20.50 C ATOM 1258 C ASP A 89 -1.815 -9.619 -7.911 1.00 73.10 C ATOM 1259 O ASP A 89 -2.368 -9.753 -6.824 1.00 62.41 O ATOM 1260 CB ASP A 89 -1.603 -12.059 -8.358 1.00 22.13 C ATOM 1261 CG ASP A 89 -0.125 -12.059 -7.972 1.00 1.30 C ATOM 1262 OD1 ASP A 89 0.700 -12.348 -8.879 1.00 71.25 O ATOM 1263 OD2 ASP A 89 0.225 -11.787 -6.809 1.00 60.55 O ATOM 0 H ASP A 89 -0.344 -11.001 -10.164 1.00 0.31 H new ATOM 0 HA ASP A 89 -3.049 -10.710 -9.260 1.00 20.50 H new ATOM 0 HB2 ASP A 89 -2.214 -12.265 -7.479 1.00 22.13 H new ATOM 0 HB3 ASP A 89 -1.798 -12.856 -9.076 1.00 22.13 H new ATOM 1267 N ILE A 90 -1.052 -8.556 -8.170 1.00 33.23 N ATOM 1268 CA ILE A 90 -0.788 -7.576 -7.132 1.00 72.42 C ATOM 1269 C ILE A 90 -1.889 -6.510 -7.127 1.00 20.53 C ATOM 1270 O ILE A 90 -2.493 -6.186 -8.152 1.00 33.14 O ATOM 1271 CB ILE A 90 0.653 -7.056 -7.289 1.00 63.10 C ATOM 1272 CG1 ILE A 90 1.214 -6.541 -5.947 1.00 43.32 C ATOM 1273 CG2 ILE A 90 0.809 -5.994 -8.390 1.00 11.01 C ATOM 1274 CD1 ILE A 90 2.745 -6.579 -5.915 1.00 4.42 C ATOM 0 H ILE A 90 -0.617 -8.359 -9.071 1.00 33.23 H new ATOM 0 HA ILE A 90 -0.831 -8.015 -6.135 1.00 72.42 H new ATOM 0 HB ILE A 90 1.242 -7.915 -7.609 1.00 63.10 H new ATOM 0 HG12 ILE A 90 0.873 -5.520 -5.779 1.00 43.32 H new ATOM 0 HG13 ILE A 90 0.819 -7.147 -5.132 1.00 43.32 H new ATOM 0 HG21 ILE A 90 1.850 -5.675 -8.443 1.00 11.01 H new ATOM 0 HG22 ILE A 90 0.510 -6.417 -9.349 1.00 11.01 H new ATOM 0 HG23 ILE A 90 0.177 -5.136 -8.160 1.00 11.01 H new ATOM 0 HD11 ILE A 90 3.098 -6.208 -4.953 1.00 4.42 H new ATOM 0 HD12 ILE A 90 3.087 -7.604 -6.056 1.00 4.42 H new ATOM 0 HD13 ILE A 90 3.141 -5.952 -6.713 1.00 4.42 H new ATOM 1285 N TRP A 91 -2.126 -5.928 -5.961 1.00 35.24 N ATOM 1286 CA TRP A 91 -2.963 -4.763 -5.747 1.00 23.53 C ATOM 1287 C TRP A 91 -2.034 -3.593 -5.458 1.00 52.32 C ATOM 1288 O TRP A 91 -1.162 -3.686 -4.597 1.00 75.41 O ATOM 1289 CB TRP A 91 -3.908 -5.009 -4.571 1.00 15.42 C ATOM 1290 CG TRP A 91 -5.043 -5.956 -4.819 1.00 53.11 C ATOM 1291 CD1 TRP A 91 -4.956 -7.299 -4.921 1.00 22.44 C ATOM 1292 CD2 TRP A 91 -6.455 -5.639 -4.973 1.00 53.04 C ATOM 1293 NE1 TRP A 91 -6.219 -7.826 -5.129 1.00 75.30 N ATOM 1294 CE2 TRP A 91 -7.183 -6.838 -5.198 1.00 41.13 C ATOM 1295 CE3 TRP A 91 -7.184 -4.438 -4.963 1.00 31.32 C ATOM 1296 CZ2 TRP A 91 -8.569 -6.823 -5.439 1.00 13.13 C ATOM 1297 CZ3 TRP A 91 -8.584 -4.415 -5.085 1.00 0.02 C ATOM 1298 CH2 TRP A 91 -9.274 -5.609 -5.348 1.00 52.40 C ATOM 0 H TRP A 91 -1.716 -6.276 -5.094 1.00 35.24 H new ATOM 0 HA TRP A 91 -3.577 -4.552 -6.623 1.00 23.53 H new ATOM 0 HB2 TRP A 91 -3.322 -5.389 -3.734 1.00 15.42 H new ATOM 0 HB3 TRP A 91 -4.324 -4.051 -4.260 1.00 15.42 H new ATOM 0 HD1 TRP A 91 -4.044 -7.873 -4.851 1.00 22.44 H new ATOM 0 HE1 TRP A 91 -6.415 -8.823 -5.220 1.00 75.30 H new ATOM 0 HE3 TRP A 91 -6.652 -3.504 -4.858 1.00 31.32 H new ATOM 0 HZ2 TRP A 91 -9.088 -7.736 -5.692 1.00 13.13 H new ATOM 0 HZ3 TRP A 91 -9.125 -3.486 -4.977 1.00 0.02 H new ATOM 0 HH2 TRP A 91 -10.346 -5.596 -5.480 1.00 52.40 H new ATOM 1308 N VAL A 92 -2.242 -2.480 -6.153 1.00 42.40 N ATOM 1309 CA VAL A 92 -1.494 -1.245 -5.979 1.00 14.43 C ATOM 1310 C VAL A 92 -2.498 -0.259 -5.415 1.00 71.11 C ATOM 1311 O VAL A 92 -3.495 0.046 -6.075 1.00 62.54 O ATOM 1312 CB VAL A 92 -0.903 -0.780 -7.322 1.00 74.50 C ATOM 1313 CG1 VAL A 92 -0.165 0.563 -7.225 1.00 62.30 C ATOM 1314 CG2 VAL A 92 0.092 -1.813 -7.866 1.00 52.03 C ATOM 0 H VAL A 92 -2.959 -2.413 -6.875 1.00 42.40 H new ATOM 0 HA VAL A 92 -0.640 -1.356 -5.311 1.00 14.43 H new ATOM 0 HB VAL A 92 -1.758 -0.664 -7.988 1.00 74.50 H new ATOM 0 HG11 VAL A 92 0.228 0.834 -8.205 1.00 62.30 H new ATOM 0 HG12 VAL A 92 -0.856 1.334 -6.885 1.00 62.30 H new ATOM 0 HG13 VAL A 92 0.658 0.475 -6.516 1.00 62.30 H new ATOM 0 HG21 VAL A 92 0.497 -1.463 -8.816 1.00 52.03 H new ATOM 0 HG22 VAL A 92 0.905 -1.946 -7.152 1.00 52.03 H new ATOM 0 HG23 VAL A 92 -0.418 -2.765 -8.017 1.00 52.03 H new ATOM 1324 N VAL A 93 -2.260 0.196 -4.190 1.00 11.15 N ATOM 1325 CA VAL A 93 -3.141 1.102 -3.480 1.00 4.13 C ATOM 1326 C VAL A 93 -2.336 2.369 -3.238 1.00 43.23 C ATOM 1327 O VAL A 93 -1.459 2.419 -2.368 1.00 24.32 O ATOM 1328 CB VAL A 93 -3.693 0.397 -2.231 1.00 61.34 C ATOM 1329 CG1 VAL A 93 -4.587 1.316 -1.396 1.00 75.34 C ATOM 1330 CG2 VAL A 93 -4.513 -0.823 -2.677 1.00 3.43 C ATOM 0 H VAL A 93 -1.431 -0.063 -3.656 1.00 11.15 H new ATOM 0 HA VAL A 93 -4.035 1.390 -4.034 1.00 4.13 H new ATOM 0 HB VAL A 93 -2.847 0.102 -1.610 1.00 61.34 H new ATOM 0 HG11 VAL A 93 -4.953 0.774 -0.524 1.00 75.34 H new ATOM 0 HG12 VAL A 93 -4.013 2.183 -1.069 1.00 75.34 H new ATOM 0 HG13 VAL A 93 -5.433 1.647 -1.999 1.00 75.34 H new ATOM 0 HG21 VAL A 93 -4.911 -1.334 -1.800 1.00 3.43 H new ATOM 0 HG22 VAL A 93 -5.336 -0.496 -3.312 1.00 3.43 H new ATOM 0 HG23 VAL A 93 -3.874 -1.506 -3.236 1.00 3.43 H new ATOM 1340 N GLU A 94 -2.574 3.351 -4.101 1.00 63.21 N ATOM 1341 CA GLU A 94 -1.955 4.656 -4.035 1.00 20.15 C ATOM 1342 C GLU A 94 -2.727 5.490 -3.030 1.00 60.33 C ATOM 1343 O GLU A 94 -3.947 5.609 -3.161 1.00 42.53 O ATOM 1344 CB GLU A 94 -2.016 5.350 -5.400 1.00 61.10 C ATOM 1345 CG GLU A 94 -1.330 4.596 -6.539 1.00 2.32 C ATOM 1346 CD GLU A 94 -1.010 5.581 -7.663 1.00 40.14 C ATOM 1347 OE1 GLU A 94 0.007 6.303 -7.506 1.00 11.55 O ATOM 1348 OE2 GLU A 94 -1.735 5.642 -8.677 1.00 2.15 O ATOM 0 H GLU A 94 -3.221 3.252 -4.884 1.00 63.21 H new ATOM 0 HA GLU A 94 -0.911 4.549 -3.742 1.00 20.15 H new ATOM 0 HB2 GLU A 94 -3.062 5.506 -5.665 1.00 61.10 H new ATOM 0 HB3 GLU A 94 -1.560 6.336 -5.310 1.00 61.10 H new ATOM 0 HG2 GLU A 94 -0.416 4.123 -6.181 1.00 2.32 H new ATOM 0 HG3 GLU A 94 -1.977 3.800 -6.908 1.00 2.32 H new ATOM 1353 N ILE A 95 -2.027 6.052 -2.041 1.00 21.05 N ATOM 1354 CA ILE A 95 -2.542 7.064 -1.140 1.00 35.21 C ATOM 1355 C ILE A 95 -1.618 8.280 -1.315 1.00 12.11 C ATOM 1356 O ILE A 95 -0.481 8.285 -0.826 1.00 31.13 O ATOM 1357 CB ILE A 95 -2.570 6.566 0.331 1.00 24.35 C ATOM 1358 CG1 ILE A 95 -3.012 5.103 0.571 1.00 13.55 C ATOM 1359 CG2 ILE A 95 -3.413 7.530 1.180 1.00 74.00 C ATOM 1360 CD1 ILE A 95 -4.385 4.709 0.027 1.00 42.11 C ATOM 0 H ILE A 95 -1.058 5.802 -1.847 1.00 21.05 H new ATOM 0 HA ILE A 95 -3.577 7.315 -1.373 1.00 35.21 H new ATOM 0 HB ILE A 95 -1.524 6.563 0.638 1.00 24.35 H new ATOM 0 HG12 ILE A 95 -2.267 4.444 0.126 1.00 13.55 H new ATOM 0 HG13 ILE A 95 -3.003 4.915 1.645 1.00 13.55 H new ATOM 0 HG21 ILE A 95 -3.434 7.182 2.213 1.00 74.00 H new ATOM 0 HG22 ILE A 95 -2.974 8.527 1.142 1.00 74.00 H new ATOM 0 HG23 ILE A 95 -4.430 7.566 0.789 1.00 74.00 H new ATOM 0 HD11 ILE A 95 -4.581 3.662 0.257 1.00 42.11 H new ATOM 0 HD12 ILE A 95 -5.152 5.331 0.489 1.00 42.11 H new ATOM 0 HD13 ILE A 95 -4.403 4.852 -1.053 1.00 42.11 H new ATOM 1371 N GLU A 96 -2.073 9.291 -2.053 1.00 62.44 N ATOM 1372 CA GLU A 96 -1.401 10.572 -2.169 1.00 34.23 C ATOM 1373 C GLU A 96 -2.043 11.524 -1.160 1.00 71.14 C ATOM 1374 O GLU A 96 -2.968 12.271 -1.501 1.00 41.34 O ATOM 1375 CB GLU A 96 -1.430 11.105 -3.614 1.00 63.11 C ATOM 1376 CG GLU A 96 -0.386 10.394 -4.486 1.00 51.50 C ATOM 1377 CD GLU A 96 -0.380 10.930 -5.918 1.00 72.20 C ATOM 1378 OE1 GLU A 96 -1.237 10.492 -6.714 1.00 12.44 O ATOM 1379 OE2 GLU A 96 0.499 11.762 -6.261 1.00 60.21 O ATOM 0 H GLU A 96 -2.935 9.236 -2.595 1.00 62.44 H new ATOM 0 HA GLU A 96 -0.341 10.471 -1.936 1.00 34.23 H new ATOM 0 HB2 GLU A 96 -2.423 10.959 -4.039 1.00 63.11 H new ATOM 0 HB3 GLU A 96 -1.238 12.178 -3.613 1.00 63.11 H new ATOM 0 HG2 GLU A 96 0.603 10.522 -4.046 1.00 51.50 H new ATOM 0 HG3 GLU A 96 -0.592 9.324 -4.500 1.00 51.50 H new ATOM 1384 N ASP A 97 -1.578 11.494 0.097 1.00 55.34 N ATOM 1385 CA ASP A 97 -2.052 12.407 1.127 1.00 43.41 C ATOM 1386 C ASP A 97 -0.975 13.445 1.434 1.00 63.40 C ATOM 1387 O ASP A 97 0.205 13.304 1.099 1.00 11.12 O ATOM 1388 CB ASP A 97 -2.464 11.635 2.386 1.00 4.22 C ATOM 1389 CG ASP A 97 -3.561 12.357 3.178 1.00 14.54 C ATOM 1390 OD1 ASP A 97 -3.603 13.607 3.223 1.00 22.43 O ATOM 1391 OD2 ASP A 97 -4.409 11.664 3.767 1.00 23.43 O ATOM 0 H ASP A 97 -0.867 10.837 0.419 1.00 55.34 H new ATOM 0 HA ASP A 97 -2.936 12.930 0.762 1.00 43.41 H new ATOM 0 HB2 ASP A 97 -2.816 10.643 2.102 1.00 4.22 H new ATOM 0 HB3 ASP A 97 -1.592 11.493 3.024 1.00 4.22 H new ATOM 1395 N ARG A 98 -1.382 14.517 2.095 1.00 1.53 N ATOM 1396 CA ARG A 98 -0.498 15.539 2.586 1.00 74.31 C ATOM 1397 C ARG A 98 0.172 15.052 3.858 1.00 12.32 C ATOM 1398 O ARG A 98 1.393 14.954 3.853 1.00 43.30 O ATOM 1399 CB ARG A 98 -1.236 16.879 2.707 1.00 41.32 C ATOM 1400 CG ARG A 98 -1.841 17.298 1.354 1.00 50.54 C ATOM 1401 CD ARG A 98 -2.277 18.763 1.327 1.00 43.24 C ATOM 1402 NE ARG A 98 -3.514 18.992 2.085 1.00 72.42 N ATOM 1403 CZ ARG A 98 -4.212 20.127 2.105 1.00 41.31 C ATOM 1404 NH1 ARG A 98 -3.722 21.226 1.537 1.00 24.21 N ATOM 1405 NH2 ARG A 98 -5.401 20.141 2.688 1.00 72.42 N ATOM 0 H ARG A 98 -2.364 14.696 2.306 1.00 1.53 H new ATOM 0 HA ARG A 98 0.307 15.734 1.878 1.00 74.31 H new ATOM 0 HB2 ARG A 98 -2.026 16.797 3.453 1.00 41.32 H new ATOM 0 HB3 ARG A 98 -0.547 17.648 3.055 1.00 41.32 H new ATOM 0 HG2 ARG A 98 -1.108 17.127 0.565 1.00 50.54 H new ATOM 0 HG3 ARG A 98 -2.700 16.664 1.134 1.00 50.54 H new ATOM 0 HD2 ARG A 98 -1.481 19.384 1.739 1.00 43.24 H new ATOM 0 HD3 ARG A 98 -2.424 19.077 0.294 1.00 43.24 H new ATOM 0 HE ARG A 98 -3.869 18.216 2.644 1.00 72.42 H new ATOM 0 HH11 ARG A 98 -2.809 21.202 1.084 1.00 24.21 H new ATOM 0 HH12 ARG A 98 -4.260 22.092 1.555 1.00 24.21 H new ATOM 0 HH21 ARG A 98 -5.770 19.291 3.114 1.00 72.42 H new ATOM 0 HH22 ARG A 98 -5.947 21.002 2.712 1.00 72.42 H new ATOM 1416 N ASP A 99 -0.558 14.739 4.931 1.00 2.12 N ATOM 1417 CA ASP A 99 0.017 14.504 6.252 1.00 25.21 C ATOM 1418 C ASP A 99 0.633 13.115 6.467 1.00 60.14 C ATOM 1419 O ASP A 99 0.565 12.564 7.574 1.00 75.04 O ATOM 1420 CB ASP A 99 -0.975 14.889 7.358 1.00 71.20 C ATOM 1421 CG ASP A 99 -2.220 14.029 7.574 1.00 34.12 C ATOM 1422 OD1 ASP A 99 -2.972 13.826 6.600 1.00 41.52 O ATOM 1423 OD2 ASP A 99 -2.549 13.730 8.748 1.00 14.12 O ATOM 0 H ASP A 99 -1.573 14.641 4.904 1.00 2.12 H new ATOM 0 HA ASP A 99 0.878 15.169 6.312 1.00 25.21 H new ATOM 0 HB2 ASP A 99 -0.425 14.912 8.299 1.00 71.20 H new ATOM 0 HB3 ASP A 99 -1.310 15.907 7.159 1.00 71.20 H new ATOM 1427 N GLY A 100 1.255 12.539 5.432 1.00 15.54 N ATOM 1428 CA GLY A 100 1.933 11.247 5.526 1.00 43.20 C ATOM 1429 C GLY A 100 0.957 10.097 5.743 1.00 73.12 C ATOM 1430 O GLY A 100 1.355 9.006 6.148 1.00 11.44 O ATOM 0 H GLY A 100 1.301 12.960 4.504 1.00 15.54 H new ATOM 0 HA2 GLY A 100 2.502 11.070 4.613 1.00 43.20 H new ATOM 0 HA3 GLY A 100 2.649 11.273 6.348 1.00 43.20 H new ATOM 1434 N ARG A 101 -0.334 10.364 5.555 1.00 55.11 N ATOM 1435 CA ARG A 101 -1.420 9.528 6.028 1.00 20.21 C ATOM 1436 C ARG A 101 -1.467 8.241 5.225 1.00 64.33 C ATOM 1437 O ARG A 101 -1.710 8.247 4.025 1.00 51.51 O ATOM 1438 CB ARG A 101 -2.722 10.318 5.906 1.00 22.33 C ATOM 1439 CG ARG A 101 -3.381 10.680 7.233 1.00 64.34 C ATOM 1440 CD ARG A 101 -4.068 9.510 7.925 1.00 22.22 C ATOM 1441 NE ARG A 101 -3.273 8.886 8.989 1.00 31.04 N ATOM 1442 CZ ARG A 101 -3.785 7.949 9.794 1.00 1.54 C ATOM 1443 NH1 ARG A 101 -4.997 7.449 9.555 1.00 12.15 N ATOM 1444 NH2 ARG A 101 -3.110 7.488 10.831 1.00 65.11 N ATOM 0 H ARG A 101 -0.656 11.193 5.055 1.00 55.11 H new ATOM 0 HA ARG A 101 -1.270 9.254 7.072 1.00 20.21 H new ATOM 0 HB2 ARG A 101 -2.522 11.236 5.354 1.00 22.33 H new ATOM 0 HB3 ARG A 101 -3.428 9.737 5.313 1.00 22.33 H new ATOM 0 HG2 ARG A 101 -2.625 11.091 7.902 1.00 64.34 H new ATOM 0 HG3 ARG A 101 -4.115 11.467 7.059 1.00 64.34 H new ATOM 0 HD2 ARG A 101 -5.011 9.856 8.348 1.00 22.22 H new ATOM 0 HD3 ARG A 101 -4.312 8.754 7.179 1.00 22.22 H new ATOM 0 HE ARG A 101 -2.303 9.175 9.118 1.00 31.04 H new ATOM 0 HH11 ARG A 101 -5.537 7.781 8.756 1.00 12.15 H new ATOM 0 HH12 ARG A 101 -5.384 6.734 10.171 1.00 12.15 H new ATOM 0 HH21 ARG A 101 -2.177 7.847 11.032 1.00 65.11 H new ATOM 0 HH22 ARG A 101 -3.522 6.773 11.431 1.00 65.11 H new ATOM 1455 N HIS A 102 -1.254 7.121 5.915 1.00 3.21 N ATOM 1456 CA HIS A 102 -1.188 5.817 5.252 1.00 64.22 C ATOM 1457 C HIS A 102 -2.584 5.168 5.259 1.00 23.04 C ATOM 1458 O HIS A 102 -2.843 4.262 4.473 1.00 32.32 O ATOM 1459 CB HIS A 102 -0.204 4.871 5.982 1.00 34.42 C ATOM 1460 CG HIS A 102 0.873 5.537 6.811 1.00 60.13 C ATOM 1461 ND1 HIS A 102 2.138 5.955 6.478 1.00 31.04 N ATOM 1462 CD2 HIS A 102 0.673 5.890 8.120 1.00 42.32 C ATOM 1463 CE1 HIS A 102 2.675 6.544 7.561 1.00 40.13 C ATOM 1464 NE2 HIS A 102 1.820 6.520 8.601 1.00 43.53 N ATOM 0 H HIS A 102 -1.125 7.089 6.926 1.00 3.21 H new ATOM 0 HA HIS A 102 -0.840 5.973 4.231 1.00 64.22 H new ATOM 0 HB2 HIS A 102 -0.780 4.214 6.633 1.00 34.42 H new ATOM 0 HB3 HIS A 102 0.279 4.238 5.237 1.00 34.42 H new ATOM 0 HD2 HIS A 102 -0.228 5.709 8.688 1.00 42.32 H new ATOM 0 HE1 HIS A 102 3.663 6.979 7.593 1.00 40.13 H new ATOM 0 HE2 HIS A 102 1.978 6.885 9.540 1.00 43.53 H new ATOM 1471 N PHE A 103 -3.467 5.593 6.176 1.00 35.45 N ATOM 1472 CA PHE A 103 -4.782 5.005 6.453 1.00 34.25 C ATOM 1473 C PHE A 103 -4.792 3.475 6.607 1.00 13.44 C ATOM 1474 O PHE A 103 -5.824 2.847 6.358 1.00 62.01 O ATOM 1475 CB PHE A 103 -5.811 5.535 5.439 1.00 65.44 C ATOM 1476 CG PHE A 103 -6.273 6.927 5.793 1.00 3.53 C ATOM 1477 CD1 PHE A 103 -7.243 7.092 6.801 1.00 31.12 C ATOM 1478 CD2 PHE A 103 -5.730 8.050 5.144 1.00 52.41 C ATOM 1479 CE1 PHE A 103 -7.674 8.379 7.154 1.00 73.42 C ATOM 1480 CE2 PHE A 103 -6.217 9.331 5.463 1.00 14.54 C ATOM 1481 CZ PHE A 103 -7.171 9.500 6.478 1.00 13.21 C ATOM 0 H PHE A 103 -3.271 6.396 6.773 1.00 35.45 H new ATOM 0 HA PHE A 103 -5.077 5.337 7.448 1.00 34.25 H new ATOM 0 HB2 PHE A 103 -5.371 5.540 4.442 1.00 65.44 H new ATOM 0 HB3 PHE A 103 -6.669 4.864 5.406 1.00 65.44 H new ATOM 0 HD1 PHE A 103 -7.654 6.228 7.302 1.00 31.12 H new ATOM 0 HD2 PHE A 103 -4.948 7.931 4.409 1.00 52.41 H new ATOM 0 HE1 PHE A 103 -8.395 8.507 7.948 1.00 73.42 H new ATOM 0 HE2 PHE A 103 -5.853 10.192 4.922 1.00 14.54 H new ATOM 0 HZ PHE A 103 -7.517 10.490 6.738 1.00 13.21 H new ATOM 1490 N LEU A 104 -3.690 2.868 7.060 1.00 40.40 N ATOM 1491 CA LEU A 104 -3.608 1.429 7.295 1.00 15.54 C ATOM 1492 C LEU A 104 -4.107 1.073 8.696 1.00 13.35 C ATOM 1493 O LEU A 104 -4.170 1.934 9.575 1.00 61.40 O ATOM 1494 CB LEU A 104 -2.161 0.955 7.044 1.00 23.32 C ATOM 1495 CG LEU A 104 -1.785 0.945 5.552 1.00 3.42 C ATOM 1496 CD1 LEU A 104 -0.278 0.675 5.454 1.00 55.30 C ATOM 1497 CD2 LEU A 104 -2.594 -0.082 4.749 1.00 0.55 C ATOM 0 H LEU A 104 -2.827 3.367 7.274 1.00 40.40 H new ATOM 0 HA LEU A 104 -4.261 0.905 6.598 1.00 15.54 H new ATOM 0 HB2 LEU A 104 -1.472 1.606 7.583 1.00 23.32 H new ATOM 0 HB3 LEU A 104 -2.037 -0.048 7.452 1.00 23.32 H new ATOM 0 HG LEU A 104 -2.028 1.912 5.111 1.00 3.42 H new ATOM 0 HD11 LEU A 104 0.022 0.661 4.406 1.00 55.30 H new ATOM 0 HD12 LEU A 104 0.267 1.461 5.977 1.00 55.30 H new ATOM 0 HD13 LEU A 104 -0.051 -0.289 5.909 1.00 55.30 H new ATOM 0 HD21 LEU A 104 -2.289 -0.048 3.703 1.00 0.55 H new ATOM 0 HD22 LEU A 104 -2.412 -1.080 5.147 1.00 0.55 H new ATOM 0 HD23 LEU A 104 -3.656 0.151 4.825 1.00 0.55 H new ATOM 1508 N THR A 105 -4.442 -0.201 8.906 1.00 75.22 N ATOM 1509 CA THR A 105 -4.992 -0.749 10.149 1.00 20.12 C ATOM 1510 C THR A 105 -4.217 -1.998 10.598 1.00 74.12 C ATOM 1511 O THR A 105 -4.692 -2.751 11.447 1.00 54.34 O ATOM 1512 CB THR A 105 -6.508 -1.000 9.974 1.00 53.40 C ATOM 1513 OG1 THR A 105 -7.096 -1.333 11.215 1.00 44.34 O ATOM 1514 CG2 THR A 105 -6.856 -2.120 8.985 1.00 34.45 C ATOM 0 H THR A 105 -4.333 -0.912 8.182 1.00 75.22 H new ATOM 0 HA THR A 105 -4.871 -0.025 10.955 1.00 20.12 H new ATOM 0 HB THR A 105 -6.900 -0.066 9.571 1.00 53.40 H new ATOM 0 HG1 THR A 105 -6.486 -1.909 11.722 1.00 44.34 H new ATOM 0 HG21 THR A 105 -7.939 -2.228 8.924 1.00 34.45 H new ATOM 0 HG22 THR A 105 -6.460 -1.872 8.000 1.00 34.45 H new ATOM 0 HG23 THR A 105 -6.417 -3.057 9.327 1.00 34.45 H new ATOM 1522 N GLU A 106 -3.041 -2.240 10.021 1.00 31.45 N ATOM 1523 CA GLU A 106 -2.241 -3.446 10.210 1.00 75.32 C ATOM 1524 C GLU A 106 -0.808 -3.034 10.594 1.00 11.45 C ATOM 1525 O GLU A 106 -0.458 -1.853 10.449 1.00 71.14 O ATOM 1526 CB GLU A 106 -2.338 -4.266 8.911 1.00 74.43 C ATOM 1527 CG GLU A 106 -3.700 -4.971 8.811 1.00 61.44 C ATOM 1528 CD GLU A 106 -3.901 -5.715 7.492 1.00 73.30 C ATOM 1529 OE1 GLU A 106 -3.614 -5.130 6.418 1.00 23.24 O ATOM 1530 OE2 GLU A 106 -4.427 -6.848 7.548 1.00 0.25 O ATOM 0 H GLU A 106 -2.603 -1.574 9.384 1.00 31.45 H new ATOM 0 HA GLU A 106 -2.600 -4.076 11.023 1.00 75.32 H new ATOM 0 HB2 GLU A 106 -2.198 -3.611 8.051 1.00 74.43 H new ATOM 0 HB3 GLU A 106 -1.538 -5.005 8.882 1.00 74.43 H new ATOM 0 HG2 GLU A 106 -3.797 -5.676 9.636 1.00 61.44 H new ATOM 0 HG3 GLU A 106 -4.493 -4.232 8.928 1.00 61.44 H new ATOM 1535 N PRO A 107 0.020 -3.945 11.131 1.00 41.14 N ATOM 1536 CA PRO A 107 1.352 -3.601 11.625 1.00 73.24 C ATOM 1537 C PRO A 107 2.302 -3.241 10.477 1.00 20.25 C ATOM 1538 O PRO A 107 2.216 -3.847 9.408 1.00 11.31 O ATOM 1539 CB PRO A 107 1.823 -4.829 12.410 1.00 34.25 C ATOM 1540 CG PRO A 107 1.044 -5.981 11.777 1.00 72.40 C ATOM 1541 CD PRO A 107 -0.289 -5.337 11.426 1.00 54.44 C ATOM 0 HA PRO A 107 1.334 -2.715 12.259 1.00 73.24 H new ATOM 0 HB2 PRO A 107 2.899 -4.975 12.318 1.00 34.25 H new ATOM 0 HB3 PRO A 107 1.604 -4.733 13.473 1.00 34.25 H new ATOM 0 HG2 PRO A 107 1.548 -6.373 10.894 1.00 72.40 H new ATOM 0 HG3 PRO A 107 0.921 -6.814 12.469 1.00 72.40 H new ATOM 0 HD2 PRO A 107 -0.749 -5.828 10.568 1.00 54.44 H new ATOM 0 HD3 PRO A 107 -0.994 -5.416 12.254 1.00 54.44 H new ATOM 1546 N VAL A 108 3.219 -2.285 10.684 1.00 40.32 N ATOM 1547 CA VAL A 108 4.109 -1.790 9.638 1.00 71.40 C ATOM 1548 C VAL A 108 5.520 -1.489 10.159 1.00 55.52 C ATOM 1549 O VAL A 108 5.684 -0.997 11.280 1.00 61.10 O ATOM 1550 CB VAL A 108 3.431 -0.601 8.928 1.00 73.22 C ATOM 1551 CG1 VAL A 108 2.957 0.523 9.847 1.00 0.51 C ATOM 1552 CG2 VAL A 108 4.300 -0.016 7.800 1.00 44.30 C ATOM 0 H VAL A 108 3.360 -1.835 11.588 1.00 40.32 H new ATOM 0 HA VAL A 108 4.270 -2.572 8.896 1.00 71.40 H new ATOM 0 HB VAL A 108 2.533 -1.047 8.502 1.00 73.22 H new ATOM 0 HG11 VAL A 108 2.495 1.310 9.251 1.00 0.51 H new ATOM 0 HG12 VAL A 108 2.229 0.130 10.556 1.00 0.51 H new ATOM 0 HG13 VAL A 108 3.809 0.932 10.391 1.00 0.51 H new ATOM 0 HG21 VAL A 108 3.777 0.818 7.333 1.00 44.30 H new ATOM 0 HG22 VAL A 108 5.245 0.335 8.214 1.00 44.30 H new ATOM 0 HG23 VAL A 108 4.494 -0.786 7.054 1.00 44.30 H new ATOM 1562 N GLU A 109 6.545 -1.784 9.355 1.00 42.50 N ATOM 1563 CA GLU A 109 7.956 -1.625 9.698 1.00 0.31 C ATOM 1564 C GLU A 109 8.539 -0.279 9.255 1.00 12.44 C ATOM 1565 O GLU A 109 7.927 0.506 8.517 1.00 31.24 O ATOM 1566 CB GLU A 109 8.749 -2.793 9.086 1.00 62.01 C ATOM 1567 CG GLU A 109 8.985 -3.899 10.118 1.00 44.51 C ATOM 1568 CD GLU A 109 10.122 -3.590 11.100 1.00 32.03 C ATOM 1569 OE1 GLU A 109 10.490 -2.409 11.291 1.00 3.45 O ATOM 1570 OE2 GLU A 109 10.681 -4.568 11.650 1.00 74.40 O ATOM 0 H GLU A 109 6.407 -2.153 8.414 1.00 42.50 H new ATOM 0 HA GLU A 109 8.039 -1.637 10.785 1.00 0.31 H new ATOM 0 HB2 GLU A 109 8.206 -3.198 8.232 1.00 62.01 H new ATOM 0 HB3 GLU A 109 9.706 -2.430 8.712 1.00 62.01 H new ATOM 0 HG2 GLU A 109 8.065 -4.062 10.680 1.00 44.51 H new ATOM 0 HG3 GLU A 109 9.209 -4.829 9.596 1.00 44.51 H new ATOM 1575 N SER A 110 9.754 -0.020 9.726 1.00 44.33 N ATOM 1576 CA SER A 110 10.488 1.229 9.558 1.00 42.34 C ATOM 1577 C SER A 110 11.930 0.926 9.176 1.00 51.20 C ATOM 1578 O SER A 110 12.394 -0.214 9.413 1.00 44.10 O ATOM 1579 CB SER A 110 10.422 2.094 10.829 1.00 20.45 C ATOM 1580 OG SER A 110 9.219 1.917 11.560 1.00 44.54 O ATOM 0 H SER A 110 10.280 -0.710 10.262 1.00 44.33 H new ATOM 0 HA SER A 110 10.022 1.802 8.756 1.00 42.34 H new ATOM 0 HB2 SER A 110 11.269 1.852 11.471 1.00 20.45 H new ATOM 0 HB3 SER A 110 10.521 3.144 10.553 1.00 20.45 H new ATOM 0 HG SER A 110 9.233 2.488 12.356 1.00 44.54 H new TER 1585 SER A 110