USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 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 Single : A 1 GLY N :NH3+ 166:sc= 0.182 (180deg=-0.0743) USER MOD Single : A 12 THR OG1 : rot -144:sc= 1.71 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 14 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.117) USER MOD Single : A 24 ASN : amide:sc= 1.84 K(o=1.8,f=-0.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.015) USER MOD Single : A 29 TYR OH : rot 149:sc= 1.28 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0432 K(o=-0.043,f=-4.6!) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.0085 (180deg=-0.116) USER MOD Single : A 41 CYS SG : rot 130:sc= -1.41 USER MOD Single : A 42 MET CE :methyl 139:sc= -0.0176 (180deg=-0.0955) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.237 (180deg=-0.398) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0.0502 (180deg=-0.0921) USER MOD Single : A 45 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.516 K(o=-0.52,f=-3.3!) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.0289 (180deg=-0.216) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.567 USER MOD Single : A 61 GLN : amide:sc= 0.656 K(o=0.66,f=-0.24) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.145) USER MOD Single : A 76 SER OG : rot 31:sc= 1.29 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0229) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= 1.01 (180deg=0.526) USER MOD Single : A 90 ASN : amide:sc= 1.03 K(o=1,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.861 -10.337 -7.294 1.00 0.00 N ATOM 2 CA GLY A 1 9.594 -10.015 -7.978 1.00 0.00 C ATOM 3 C GLY A 1 8.511 -11.039 -7.649 1.00 0.00 C ATOM 4 O GLY A 1 8.013 -11.728 -8.533 1.00 0.00 O ATOM 0 H1 GLY A 1 11.632 -9.778 -7.711 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.777 -10.110 -6.282 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.068 -11.350 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.260 -9.021 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.757 -9.988 -9.055 1.00 0.00 H new ATOM 10 N GLU A 2 8.174 -11.138 -6.363 1.00 0.00 N ATOM 11 CA GLU A 2 7.301 -12.148 -5.795 1.00 0.00 C ATOM 12 C GLU A 2 6.127 -11.454 -5.100 1.00 0.00 C ATOM 13 O GLU A 2 6.340 -10.728 -4.133 1.00 0.00 O ATOM 14 CB GLU A 2 8.113 -13.061 -4.851 1.00 0.00 C ATOM 15 CG GLU A 2 8.903 -12.388 -3.706 1.00 0.00 C ATOM 16 CD GLU A 2 10.071 -11.526 -4.177 1.00 0.00 C ATOM 17 OE1 GLU A 2 11.155 -12.104 -4.402 1.00 0.00 O ATOM 18 OE2 GLU A 2 9.853 -10.302 -4.344 1.00 0.00 O ATOM 0 H GLU A 2 8.522 -10.483 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 2 6.886 -12.791 -6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.425 -13.780 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.819 -13.628 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.221 -11.769 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.282 -13.161 -3.038 1.00 0.00 H new ATOM 25 N TRP A 3 4.901 -11.647 -5.595 1.00 0.00 N ATOM 26 CA TRP A 3 3.706 -11.143 -4.930 1.00 0.00 C ATOM 27 C TRP A 3 3.424 -11.996 -3.691 1.00 0.00 C ATOM 28 O TRP A 3 2.854 -13.077 -3.818 1.00 0.00 O ATOM 29 CB TRP A 3 2.509 -11.138 -5.890 1.00 0.00 C ATOM 30 CG TRP A 3 2.400 -9.954 -6.805 1.00 0.00 C ATOM 31 CD1 TRP A 3 2.376 -10.006 -8.156 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.235 -8.541 -6.459 1.00 0.00 C ATOM 33 NE1 TRP A 3 2.217 -8.734 -8.667 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.125 -7.790 -7.666 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.169 -7.813 -5.249 1.00 0.00 C ATOM 36 CZ2 TRP A 3 1.963 -6.396 -7.673 1.00 0.00 C ATOM 37 CZ3 TRP A 3 2.011 -6.414 -5.243 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.908 -5.705 -6.452 1.00 0.00 C ATOM 0 H TRP A 3 4.714 -12.153 -6.461 1.00 0.00 H new ATOM 0 HA TRP A 3 3.872 -10.112 -4.618 1.00 0.00 H new ATOM 0 HB2 TRP A 3 2.555 -12.040 -6.500 1.00 0.00 H new ATOM 0 HB3 TRP A 3 1.595 -11.200 -5.299 1.00 0.00 H new ATOM 0 HD1 TRP A 3 2.467 -10.906 -8.746 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.173 -8.518 -9.663 1.00 0.00 H new ATOM 0 HE3 TRP A 3 2.241 -8.341 -4.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.882 -5.861 -8.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.969 -5.883 -4.304 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.787 -4.632 -6.442 1.00 0.00 H new ATOM 49 N GLU A 4 3.815 -11.522 -2.503 1.00 0.00 N ATOM 50 CA GLU A 4 3.620 -12.232 -1.248 1.00 0.00 C ATOM 51 C GLU A 4 2.669 -11.443 -0.354 1.00 0.00 C ATOM 52 O GLU A 4 2.771 -10.220 -0.279 1.00 0.00 O ATOM 53 CB GLU A 4 4.965 -12.400 -0.541 1.00 0.00 C ATOM 54 CG GLU A 4 5.983 -13.191 -1.374 1.00 0.00 C ATOM 55 CD GLU A 4 5.488 -14.589 -1.740 1.00 0.00 C ATOM 56 OE1 GLU A 4 4.973 -15.268 -0.824 1.00 0.00 O ATOM 57 OE2 GLU A 4 5.640 -14.954 -2.926 1.00 0.00 O ATOM 0 H GLU A 4 4.281 -10.622 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 4 3.192 -13.214 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.375 -11.416 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.809 -12.908 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.206 -12.639 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.916 -13.275 -0.816 1.00 0.00 H new ATOM 64 N ILE A 5 1.757 -12.140 0.326 1.00 0.00 N ATOM 65 CA ILE A 5 0.818 -11.535 1.259 1.00 0.00 C ATOM 66 C ILE A 5 1.571 -11.289 2.568 1.00 0.00 C ATOM 67 O ILE A 5 2.419 -12.100 2.938 1.00 0.00 O ATOM 68 CB ILE A 5 -0.429 -12.421 1.468 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.089 -12.919 0.164 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.506 -11.655 2.254 1.00 0.00 C ATOM 71 CD1 ILE A 5 -0.418 -14.140 -0.478 1.00 0.00 C ATOM 0 H ILE A 5 1.652 -13.151 0.240 1.00 0.00 H new ATOM 0 HA ILE A 5 0.443 -10.592 0.861 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.058 -13.290 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.131 -13.164 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.092 -12.103 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.378 -12.294 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.109 -11.366 3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.795 -10.762 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.954 -14.413 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.616 -13.899 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.439 -14.976 0.221 1.00 0.00 H new ATOM 83 N ILE A 6 1.279 -10.187 3.263 1.00 0.00 N ATOM 84 CA ILE A 6 1.833 -9.889 4.573 1.00 0.00 C ATOM 85 C ILE A 6 0.713 -9.735 5.602 1.00 0.00 C ATOM 86 O ILE A 6 -0.437 -9.468 5.256 1.00 0.00 O ATOM 87 CB ILE A 6 2.725 -8.640 4.512 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.969 -7.375 4.077 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.936 -8.906 3.611 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.764 -6.093 4.354 1.00 0.00 C ATOM 0 H ILE A 6 0.640 -9.469 2.920 1.00 0.00 H new ATOM 0 HA ILE A 6 2.460 -10.723 4.888 1.00 0.00 H new ATOM 0 HB ILE A 6 3.070 -8.441 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.745 -7.437 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.014 -7.327 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.564 -8.016 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.512 -9.739 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.594 -9.152 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.185 -5.229 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.965 -6.013 5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.707 -6.125 3.809 1.00 0.00 H new ATOM 102 N ASP A 7 1.064 -9.904 6.879 1.00 0.00 N ATOM 103 CA ASP A 7 0.148 -9.770 7.994 1.00 0.00 C ATOM 104 C ASP A 7 -0.354 -8.333 8.082 1.00 0.00 C ATOM 105 O ASP A 7 0.405 -7.377 7.904 1.00 0.00 O ATOM 106 CB ASP A 7 0.849 -10.151 9.303 1.00 0.00 C ATOM 107 CG ASP A 7 1.363 -11.585 9.287 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.453 -11.782 8.706 1.00 0.00 O ATOM 109 OD2 ASP A 7 0.656 -12.453 9.842 1.00 0.00 O ATOM 0 H ASP A 7 2.014 -10.142 7.163 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.698 -10.439 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.682 -9.471 9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.155 -10.025 10.134 1.00 0.00 H new ATOM 114 N ILE A 8 -1.637 -8.190 8.400 1.00 0.00 N ATOM 115 CA ILE A 8 -2.250 -6.941 8.765 1.00 0.00 C ATOM 116 C ILE A 8 -2.199 -6.804 10.290 1.00 0.00 C ATOM 117 O ILE A 8 -2.679 -7.669 11.018 1.00 0.00 O ATOM 118 CB ILE A 8 -3.666 -6.870 8.169 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.449 -8.189 7.994 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.581 -6.212 6.784 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.758 -8.937 9.293 1.00 0.00 C ATOM 0 H ILE A 8 -2.290 -8.973 8.407 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.713 -6.087 8.352 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.225 -6.307 8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.388 -7.971 7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.878 -8.848 7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.578 -6.154 6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.169 -5.208 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.936 -6.807 6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.310 -9.849 9.065 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.826 -9.193 9.796 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.359 -8.302 9.944 1.00 0.00 H new ATOM 133 N GLY A 9 -1.565 -5.739 10.777 1.00 0.00 N ATOM 134 CA GLY A 9 -1.353 -5.491 12.195 1.00 0.00 C ATOM 135 C GLY A 9 -0.809 -4.073 12.363 1.00 0.00 C ATOM 136 O GLY A 9 -0.805 -3.333 11.380 1.00 0.00 O ATOM 0 H GLY A 9 -1.177 -5.009 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.288 -5.605 12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.651 -6.217 12.606 1.00 0.00 H new ATOM 140 N PRO A 10 -0.333 -3.673 13.554 1.00 0.00 N ATOM 141 CA PRO A 10 0.087 -2.304 13.841 1.00 0.00 C ATOM 142 C PRO A 10 1.073 -1.756 12.802 1.00 0.00 C ATOM 143 O PRO A 10 0.910 -0.640 12.313 1.00 0.00 O ATOM 144 CB PRO A 10 0.655 -2.319 15.266 1.00 0.00 C ATOM 145 CG PRO A 10 0.863 -3.801 15.586 1.00 0.00 C ATOM 146 CD PRO A 10 -0.199 -4.500 14.740 1.00 0.00 C ATOM 0 HA PRO A 10 -0.757 -1.618 13.777 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.592 -1.766 15.324 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.034 -1.854 15.972 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.868 -4.131 15.323 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.729 -4.005 16.648 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.105 -5.514 14.482 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.144 -4.577 15.277 1.00 0.00 H new ATOM 154 N PHE A 11 2.082 -2.554 12.444 1.00 0.00 N ATOM 155 CA PHE A 11 3.034 -2.239 11.385 1.00 0.00 C ATOM 156 C PHE A 11 2.309 -1.798 10.105 1.00 0.00 C ATOM 157 O PHE A 11 2.542 -0.721 9.560 1.00 0.00 O ATOM 158 CB PHE A 11 3.905 -3.478 11.139 1.00 0.00 C ATOM 159 CG PHE A 11 4.997 -3.288 10.106 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.252 -2.789 10.499 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.776 -3.654 8.765 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.289 -2.671 9.558 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.811 -3.528 7.823 1.00 0.00 C ATOM 164 CZ PHE A 11 7.069 -3.043 8.220 1.00 0.00 C ATOM 0 H PHE A 11 2.260 -3.453 12.892 1.00 0.00 H new ATOM 0 HA PHE A 11 3.666 -1.404 11.688 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.363 -3.776 12.082 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.263 -4.300 10.822 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.419 -2.496 11.525 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.811 -4.032 8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.255 -2.295 9.862 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.640 -3.804 6.793 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.867 -2.956 7.497 1.00 0.00 H new ATOM 174 N THR A 12 1.404 -2.644 9.624 1.00 0.00 N ATOM 175 CA THR A 12 0.642 -2.433 8.410 1.00 0.00 C ATOM 176 C THR A 12 -0.307 -1.242 8.570 1.00 0.00 C ATOM 177 O THR A 12 -0.453 -0.432 7.655 1.00 0.00 O ATOM 178 CB THR A 12 -0.106 -3.744 8.103 1.00 0.00 C ATOM 179 OG1 THR A 12 0.405 -4.802 8.908 1.00 0.00 O ATOM 180 CG2 THR A 12 0.004 -4.113 6.625 1.00 0.00 C ATOM 0 H THR A 12 1.177 -3.523 10.088 1.00 0.00 H new ATOM 0 HA THR A 12 1.295 -2.186 7.573 1.00 0.00 H new ATOM 0 HB THR A 12 -1.160 -3.591 8.337 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.395 -5.637 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.534 -5.043 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.428 -3.317 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.053 -4.243 6.359 1.00 0.00 H new ATOM 188 N GLN A 13 -0.950 -1.127 9.735 1.00 0.00 N ATOM 189 CA GLN A 13 -1.820 -0.023 10.072 1.00 0.00 C ATOM 190 C GLN A 13 -1.054 1.288 9.942 1.00 0.00 C ATOM 191 O GLN A 13 -1.584 2.214 9.349 1.00 0.00 O ATOM 192 CB GLN A 13 -2.382 -0.215 11.482 1.00 0.00 C ATOM 193 CG GLN A 13 -3.432 -1.330 11.546 1.00 0.00 C ATOM 194 CD GLN A 13 -3.788 -1.683 12.985 1.00 0.00 C ATOM 195 OE1 GLN A 13 -3.330 -2.691 13.514 1.00 0.00 O ATOM 196 NE2 GLN A 13 -4.611 -0.863 13.630 1.00 0.00 N ATOM 0 H GLN A 13 -0.871 -1.820 10.479 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.663 0.010 9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.566 -0.448 12.167 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.827 0.720 11.823 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.330 -1.015 11.015 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.054 -2.216 11.036 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.974 -0.033 13.162 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.879 -1.064 14.593 1.00 0.00 H new ATOM 205 N ASN A 14 0.183 1.366 10.444 1.00 0.00 N ATOM 206 CA ASN A 14 1.017 2.555 10.281 1.00 0.00 C ATOM 207 C ASN A 14 1.092 2.968 8.806 1.00 0.00 C ATOM 208 O ASN A 14 0.780 4.109 8.465 1.00 0.00 O ATOM 209 CB ASN A 14 2.417 2.313 10.863 1.00 0.00 C ATOM 210 CG ASN A 14 3.276 3.576 10.805 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.697 4.003 9.733 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.567 4.176 11.959 1.00 0.00 N ATOM 0 H ASN A 14 0.628 0.613 10.969 1.00 0.00 H new ATOM 0 HA ASN A 14 0.560 3.377 10.833 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.329 1.979 11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.908 1.512 10.310 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.153 5.011 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.204 3.800 12.835 1.00 0.00 H new ATOM 219 N LEU A 15 1.458 2.030 7.925 1.00 0.00 N ATOM 220 CA LEU A 15 1.538 2.304 6.492 1.00 0.00 C ATOM 221 C LEU A 15 0.176 2.754 5.954 1.00 0.00 C ATOM 222 O LEU A 15 0.082 3.746 5.233 1.00 0.00 O ATOM 223 CB LEU A 15 2.061 1.080 5.725 1.00 0.00 C ATOM 224 CG LEU A 15 3.502 0.683 6.089 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.870 -0.600 5.334 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.512 1.780 5.723 1.00 0.00 C ATOM 0 H LEU A 15 1.703 1.074 8.183 1.00 0.00 H new ATOM 0 HA LEU A 15 2.248 3.117 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.402 0.234 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.011 1.285 4.656 1.00 0.00 H new ATOM 0 HG LEU A 15 3.545 0.532 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.890 -0.890 5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.185 -1.399 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.797 -0.424 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.516 1.457 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.472 1.968 4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.266 2.695 6.261 1.00 0.00 H new ATOM 238 N GLY A 16 -0.890 2.043 6.326 1.00 0.00 N ATOM 239 CA GLY A 16 -2.250 2.422 5.968 1.00 0.00 C ATOM 240 C GLY A 16 -2.589 3.846 6.425 1.00 0.00 C ATOM 241 O GLY A 16 -3.207 4.616 5.688 1.00 0.00 O ATOM 0 H GLY A 16 -0.831 1.190 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.374 2.349 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.952 1.720 6.418 1.00 0.00 H new ATOM 245 N LYS A 17 -2.180 4.210 7.642 1.00 0.00 N ATOM 246 CA LYS A 17 -2.454 5.496 8.237 1.00 0.00 C ATOM 247 C LYS A 17 -1.743 6.548 7.404 1.00 0.00 C ATOM 248 O LYS A 17 -2.352 7.521 6.982 1.00 0.00 O ATOM 249 CB LYS A 17 -1.966 5.507 9.696 1.00 0.00 C ATOM 250 CG LYS A 17 -2.843 6.363 10.614 1.00 0.00 C ATOM 251 CD LYS A 17 -2.967 7.778 10.048 1.00 0.00 C ATOM 252 CE LYS A 17 -3.625 8.756 11.028 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.779 9.013 12.208 1.00 0.00 N ATOM 0 H LYS A 17 -1.636 3.595 8.247 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.524 5.706 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.944 4.485 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.943 5.881 9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.831 5.913 10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.411 6.399 11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.976 8.147 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.550 7.746 9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.830 9.697 10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.585 8.353 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.160 9.822 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.770 8.171 12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.809 9.227 11.900 1.00 0.00 H new ATOM 267 N PHE A 18 -0.457 6.324 7.144 1.00 0.00 N ATOM 268 CA PHE A 18 0.350 7.143 6.253 1.00 0.00 C ATOM 269 C PHE A 18 -0.344 7.331 4.902 1.00 0.00 C ATOM 270 O PHE A 18 -0.437 8.449 4.402 1.00 0.00 O ATOM 271 CB PHE A 18 1.752 6.525 6.131 1.00 0.00 C ATOM 272 CG PHE A 18 2.534 6.914 4.892 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.355 8.056 4.898 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.436 6.127 3.727 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.108 8.387 3.756 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.163 6.478 2.578 1.00 0.00 C ATOM 277 CZ PHE A 18 4.022 7.587 2.603 1.00 0.00 C ATOM 0 H PHE A 18 0.062 5.549 7.558 1.00 0.00 H new ATOM 0 HA PHE A 18 0.464 8.144 6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.332 6.809 7.009 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.654 5.440 6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.408 8.679 5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.801 5.253 3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.751 9.255 3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.061 5.894 1.675 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.618 7.827 1.735 1.00 0.00 H new ATOM 287 N ALA A 19 -0.867 6.249 4.324 1.00 0.00 N ATOM 288 CA ALA A 19 -1.560 6.312 3.044 1.00 0.00 C ATOM 289 C ALA A 19 -2.740 7.281 3.124 1.00 0.00 C ATOM 290 O ALA A 19 -2.873 8.209 2.325 1.00 0.00 O ATOM 291 CB ALA A 19 -2.020 4.912 2.632 1.00 0.00 C ATOM 0 H ALA A 19 -0.821 5.314 4.728 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.874 6.685 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.537 4.966 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.154 4.257 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.697 4.514 3.388 1.00 0.00 H new ATOM 297 N VAL A 20 -3.596 7.062 4.119 1.00 0.00 N ATOM 298 CA VAL A 20 -4.767 7.902 4.325 1.00 0.00 C ATOM 299 C VAL A 20 -4.351 9.336 4.662 1.00 0.00 C ATOM 300 O VAL A 20 -5.011 10.276 4.232 1.00 0.00 O ATOM 301 CB VAL A 20 -5.683 7.281 5.390 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.844 8.218 5.747 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.274 5.967 4.860 1.00 0.00 C ATOM 0 H VAL A 20 -3.498 6.306 4.797 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.342 7.955 3.400 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.080 7.105 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.472 7.747 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.448 9.156 6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.438 8.418 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.923 5.528 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.852 6.166 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.467 5.272 4.628 1.00 0.00 H new ATOM 313 N ASP A 21 -3.267 9.519 5.418 1.00 0.00 N ATOM 314 CA ASP A 21 -2.742 10.821 5.791 1.00 0.00 C ATOM 315 C ASP A 21 -2.301 11.586 4.544 1.00 0.00 C ATOM 316 O ASP A 21 -2.663 12.744 4.359 1.00 0.00 O ATOM 317 CB ASP A 21 -1.593 10.658 6.792 1.00 0.00 C ATOM 318 CG ASP A 21 -0.969 12.006 7.129 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.566 12.711 7.970 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.091 12.306 6.541 1.00 0.00 O ATOM 0 H ASP A 21 -2.721 8.743 5.794 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.526 11.402 6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.963 10.186 7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.834 9.996 6.376 1.00 0.00 H new ATOM 325 N GLU A 22 -1.554 10.919 3.663 1.00 0.00 N ATOM 326 CA GLU A 22 -1.176 11.460 2.372 1.00 0.00 C ATOM 327 C GLU A 22 -2.449 11.878 1.632 1.00 0.00 C ATOM 328 O GLU A 22 -2.554 13.008 1.168 1.00 0.00 O ATOM 329 CB GLU A 22 -0.353 10.431 1.576 1.00 0.00 C ATOM 330 CG GLU A 22 0.212 11.020 0.275 1.00 0.00 C ATOM 331 CD GLU A 22 1.294 12.056 0.536 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.437 11.618 0.800 1.00 0.00 O ATOM 333 OE2 GLU A 22 0.960 13.258 0.452 1.00 0.00 O ATOM 0 H GLU A 22 -1.195 9.980 3.834 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.540 12.336 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.468 10.068 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.980 9.571 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.621 10.217 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.596 11.477 -0.296 1.00 0.00 H new ATOM 340 N GLU A 23 -3.443 10.986 1.540 1.00 0.00 N ATOM 341 CA GLU A 23 -4.681 11.309 0.839 1.00 0.00 C ATOM 342 C GLU A 23 -5.392 12.500 1.483 1.00 0.00 C ATOM 343 O GLU A 23 -5.862 13.380 0.771 1.00 0.00 O ATOM 344 CB GLU A 23 -5.581 10.071 0.715 1.00 0.00 C ATOM 345 CG GLU A 23 -6.438 10.110 -0.560 1.00 0.00 C ATOM 346 CD GLU A 23 -7.425 11.273 -0.616 1.00 0.00 C ATOM 347 OE1 GLU A 23 -8.153 11.442 0.381 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.447 11.972 -1.654 1.00 0.00 O ATOM 0 H GLU A 23 -3.411 10.048 1.938 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.431 11.617 -0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.964 9.173 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.231 10.006 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.778 10.166 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.991 9.174 -0.641 1.00 0.00 H new ATOM 355 N ASN A 24 -5.440 12.566 2.814 1.00 0.00 N ATOM 356 CA ASN A 24 -5.960 13.715 3.531 1.00 0.00 C ATOM 357 C ASN A 24 -5.192 14.966 3.100 1.00 0.00 C ATOM 358 O ASN A 24 -5.799 16.008 2.868 1.00 0.00 O ATOM 359 CB ASN A 24 -5.831 13.486 5.043 1.00 0.00 C ATOM 360 CG ASN A 24 -7.038 12.797 5.670 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.784 13.408 6.426 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.236 11.514 5.393 1.00 0.00 N ATOM 0 H ASN A 24 -5.115 11.815 3.423 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.016 13.853 3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.942 12.885 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.678 14.447 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.022 11.017 5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.602 11.025 4.761 1.00 0.00 H new ATOM 369 N LYS A 25 -3.863 14.862 2.976 1.00 0.00 N ATOM 370 CA LYS A 25 -3.036 15.964 2.504 1.00 0.00 C ATOM 371 C LYS A 25 -3.387 16.346 1.057 1.00 0.00 C ATOM 372 O LYS A 25 -3.430 17.533 0.743 1.00 0.00 O ATOM 373 CB LYS A 25 -1.549 15.638 2.729 1.00 0.00 C ATOM 374 CG LYS A 25 -0.599 16.814 2.455 1.00 0.00 C ATOM 375 CD LYS A 25 -0.066 16.800 1.015 1.00 0.00 C ATOM 376 CE LYS A 25 0.943 17.935 0.811 1.00 0.00 C ATOM 377 NZ LYS A 25 1.515 17.903 -0.546 1.00 0.00 N ATOM 0 H LYS A 25 -3.340 14.015 3.200 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.247 16.859 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.413 15.307 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.270 14.803 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.122 17.753 2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.238 16.774 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.407 15.841 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.893 16.908 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.454 18.894 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.742 17.851 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.194 18.683 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.002 16.996 -0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.753 18.007 -1.246 1.00 0.00 H new ATOM 391 N ILE A 26 -3.653 15.375 0.171 1.00 0.00 N ATOM 392 CA ILE A 26 -4.116 15.676 -1.183 1.00 0.00 C ATOM 393 C ILE A 26 -5.471 16.396 -1.110 1.00 0.00 C ATOM 394 O ILE A 26 -5.707 17.374 -1.818 1.00 0.00 O ATOM 395 CB ILE A 26 -4.236 14.402 -2.050 1.00 0.00 C ATOM 396 CG1 ILE A 26 -3.009 13.473 -2.063 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.571 14.780 -3.501 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.662 14.177 -2.164 1.00 0.00 C ATOM 0 H ILE A 26 -3.555 14.380 0.371 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.377 16.321 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.035 13.834 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.019 12.872 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.104 12.784 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.653 13.875 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.517 15.320 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.780 15.413 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.863 13.435 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.622 14.755 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.536 14.845 -1.312 1.00 0.00 H new ATOM 410 N GLY A 27 -6.381 15.870 -0.288 1.00 0.00 N ATOM 411 CA GLY A 27 -7.732 16.373 -0.104 1.00 0.00 C ATOM 412 C GLY A 27 -8.674 15.968 -1.238 1.00 0.00 C ATOM 413 O GLY A 27 -9.833 16.376 -1.238 1.00 0.00 O ATOM 0 H GLY A 27 -6.184 15.051 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.128 16.001 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.703 17.460 -0.032 1.00 0.00 H new ATOM 417 N GLN A 28 -8.219 15.161 -2.205 1.00 0.00 N ATOM 418 CA GLN A 28 -9.005 14.882 -3.403 1.00 0.00 C ATOM 419 C GLN A 28 -10.295 14.122 -3.108 1.00 0.00 C ATOM 420 O GLN A 28 -11.251 14.281 -3.863 1.00 0.00 O ATOM 421 CB GLN A 28 -8.174 14.149 -4.472 1.00 0.00 C ATOM 422 CG GLN A 28 -7.695 15.119 -5.558 1.00 0.00 C ATOM 423 CD GLN A 28 -8.773 15.574 -6.549 1.00 0.00 C ATOM 424 OE1 GLN A 28 -8.440 16.151 -7.578 1.00 0.00 O ATOM 425 NE2 GLN A 28 -10.059 15.342 -6.291 1.00 0.00 N ATOM 0 H GLN A 28 -7.313 14.693 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.294 15.855 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.315 13.669 -4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.773 13.359 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.273 16.000 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.888 14.644 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.328 14.861 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.774 15.645 -6.952 1.00 0.00 H new ATOM 434 N TYR A 29 -10.317 13.308 -2.051 1.00 0.00 N ATOM 435 CA TYR A 29 -11.531 12.674 -1.545 1.00 0.00 C ATOM 436 C TYR A 29 -11.916 13.283 -0.185 1.00 0.00 C ATOM 437 O TYR A 29 -12.566 12.644 0.643 1.00 0.00 O ATOM 438 CB TYR A 29 -11.307 11.163 -1.451 1.00 0.00 C ATOM 439 CG TYR A 29 -11.349 10.396 -2.759 1.00 0.00 C ATOM 440 CD1 TYR A 29 -10.189 10.286 -3.548 1.00 0.00 C ATOM 441 CD2 TYR A 29 -12.491 9.646 -3.096 1.00 0.00 C ATOM 442 CE1 TYR A 29 -10.158 9.392 -4.634 1.00 0.00 C ATOM 443 CE2 TYR A 29 -12.457 8.752 -4.181 1.00 0.00 C ATOM 444 CZ TYR A 29 -11.279 8.602 -4.931 1.00 0.00 C ATOM 445 OH TYR A 29 -11.184 7.623 -5.873 1.00 0.00 O ATOM 0 H TYR A 29 -9.481 13.069 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.361 12.854 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.338 10.989 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.062 10.746 -0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.322 10.888 -3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -13.397 9.757 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.268 9.314 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.337 8.181 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.790 6.888 -5.643 1.00 0.00 H new ATOM 455 N GLY A 30 -11.528 14.537 0.052 1.00 0.00 N ATOM 456 CA GLY A 30 -11.694 15.196 1.336 1.00 0.00 C ATOM 457 C GLY A 30 -10.753 14.599 2.383 1.00 0.00 C ATOM 458 O GLY A 30 -9.791 13.908 2.052 1.00 0.00 O ATOM 0 H GLY A 30 -11.085 15.125 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.496 16.263 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.727 15.095 1.670 1.00 0.00 H new ATOM 462 N ARG A 31 -11.031 14.880 3.659 1.00 0.00 N ATOM 463 CA ARG A 31 -10.286 14.355 4.793 1.00 0.00 C ATOM 464 C ARG A 31 -11.005 13.111 5.313 1.00 0.00 C ATOM 465 O ARG A 31 -12.072 13.240 5.909 1.00 0.00 O ATOM 466 CB ARG A 31 -10.218 15.421 5.894 1.00 0.00 C ATOM 467 CG ARG A 31 -9.245 16.548 5.535 1.00 0.00 C ATOM 468 CD ARG A 31 -9.274 17.613 6.636 1.00 0.00 C ATOM 469 NE ARG A 31 -8.241 18.634 6.416 1.00 0.00 N ATOM 470 CZ ARG A 31 -8.074 19.719 7.186 1.00 0.00 C ATOM 471 NH1 ARG A 31 -8.906 19.962 8.203 1.00 0.00 N ATOM 472 NH2 ARG A 31 -7.068 20.561 6.932 1.00 0.00 N ATOM 0 H ARG A 31 -11.799 15.493 3.932 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.272 14.094 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.212 15.837 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.908 14.957 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.236 16.151 5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.521 16.991 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.256 18.085 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.121 17.141 7.606 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.609 18.509 5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.674 19.320 8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.773 20.789 8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.432 20.377 6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.936 21.388 7.514 1.00 0.00 H new ATOM 486 N LEU A 32 -10.448 11.918 5.082 1.00 0.00 N ATOM 487 CA LEU A 32 -11.074 10.668 5.493 1.00 0.00 C ATOM 488 C LEU A 32 -10.435 10.138 6.772 1.00 0.00 C ATOM 489 O LEU A 32 -9.215 10.185 6.927 1.00 0.00 O ATOM 490 CB LEU A 32 -10.979 9.606 4.395 1.00 0.00 C ATOM 491 CG LEU A 32 -11.521 10.117 3.055 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.353 10.473 2.135 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.396 9.046 2.403 1.00 0.00 C ATOM 0 H LEU A 32 -9.554 11.797 4.606 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.127 10.880 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.939 9.302 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.537 8.720 4.698 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.127 11.007 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.738 10.836 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.746 11.249 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.741 9.587 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.777 9.417 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.804 8.147 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.232 8.809 3.061 1.00 0.00 H new ATOM 505 N THR A 33 -11.260 9.601 7.672 1.00 0.00 N ATOM 506 CA THR A 33 -10.828 9.081 8.953 1.00 0.00 C ATOM 507 C THR A 33 -10.379 7.637 8.760 1.00 0.00 C ATOM 508 O THR A 33 -11.223 6.752 8.615 1.00 0.00 O ATOM 509 CB THR A 33 -12.002 9.188 9.940 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.625 10.449 9.795 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.537 9.017 11.388 1.00 0.00 C ATOM 0 H THR A 33 -12.265 9.518 7.520 1.00 0.00 H new ATOM 0 HA THR A 33 -9.989 9.648 9.356 1.00 0.00 H new ATOM 0 HB THR A 33 -12.707 8.389 9.713 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.375 10.518 10.423 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.393 9.099 12.057 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.075 8.037 11.508 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.811 9.793 11.631 1.00 0.00 H new ATOM 519 N PHE A 34 -9.065 7.393 8.742 1.00 0.00 N ATOM 520 CA PHE A 34 -8.521 6.041 8.758 1.00 0.00 C ATOM 521 C PHE A 34 -9.187 5.239 9.870 1.00 0.00 C ATOM 522 O PHE A 34 -9.241 5.687 11.014 1.00 0.00 O ATOM 523 CB PHE A 34 -7.005 6.067 8.956 1.00 0.00 C ATOM 524 CG PHE A 34 -6.364 4.733 9.295 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.229 4.340 10.640 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.862 3.903 8.275 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.554 3.153 10.965 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.200 2.708 8.601 1.00 0.00 C ATOM 529 CZ PHE A 34 -5.017 2.350 9.945 1.00 0.00 C ATOM 0 H PHE A 34 -8.356 8.126 8.716 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.726 5.567 7.798 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.544 6.450 8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.773 6.774 9.752 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.646 4.954 11.425 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.986 4.186 7.240 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.448 2.857 11.998 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.831 2.064 7.816 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.463 1.457 10.196 1.00 0.00 H new ATOM 539 N ASN A 35 -9.690 4.061 9.512 1.00 0.00 N ATOM 540 CA ASN A 35 -10.341 3.145 10.436 1.00 0.00 C ATOM 541 C ASN A 35 -9.360 2.023 10.768 1.00 0.00 C ATOM 542 O ASN A 35 -8.922 1.899 11.909 1.00 0.00 O ATOM 543 CB ASN A 35 -11.642 2.620 9.813 1.00 0.00 C ATOM 544 CG ASN A 35 -12.685 2.310 10.885 1.00 0.00 C ATOM 545 OD1 ASN A 35 -12.692 1.222 11.455 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.592 3.252 11.145 1.00 0.00 N ATOM 0 H ASN A 35 -9.655 3.713 8.554 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.614 3.649 11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.040 3.360 9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.433 1.720 9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.322 3.080 11.836 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.556 4.144 10.652 1.00 0.00 H new ATOM 553 N LYS A 36 -9.003 1.229 9.753 1.00 0.00 N ATOM 554 CA LYS A 36 -7.969 0.199 9.836 1.00 0.00 C ATOM 555 C LYS A 36 -7.615 -0.300 8.436 1.00 0.00 C ATOM 556 O LYS A 36 -8.312 0.021 7.477 1.00 0.00 O ATOM 557 CB LYS A 36 -8.346 -0.965 10.777 1.00 0.00 C ATOM 558 CG LYS A 36 -9.550 -1.827 10.359 1.00 0.00 C ATOM 559 CD LYS A 36 -10.881 -1.213 10.812 1.00 0.00 C ATOM 560 CE LYS A 36 -12.092 -2.100 10.500 1.00 0.00 C ATOM 561 NZ LYS A 36 -12.044 -3.388 11.218 1.00 0.00 N ATOM 0 H LYS A 36 -9.436 1.288 8.831 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.087 0.660 10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.478 -1.617 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.549 -0.552 11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.554 -1.943 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.447 -2.825 10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.842 -1.027 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.012 -0.246 10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.006 -1.571 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.136 -2.286 9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.955 -3.879 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.284 -3.978 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.859 -3.216 12.227 1.00 0.00 H new ATOM 575 N VAL A 37 -6.553 -1.103 8.326 1.00 0.00 N ATOM 576 CA VAL A 37 -6.205 -1.843 7.122 1.00 0.00 C ATOM 577 C VAL A 37 -6.705 -3.276 7.266 1.00 0.00 C ATOM 578 O VAL A 37 -6.775 -3.785 8.384 1.00 0.00 O ATOM 579 CB VAL A 37 -4.691 -1.760 6.876 1.00 0.00 C ATOM 580 CG1 VAL A 37 -3.873 -2.414 7.992 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.276 -2.372 5.532 1.00 0.00 C ATOM 0 H VAL A 37 -5.899 -1.256 9.094 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.687 -1.409 6.246 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.472 -0.692 6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.811 -2.325 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.084 -1.916 8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.140 -3.468 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.196 -2.286 5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.561 -3.424 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.776 -1.842 4.721 1.00 0.00 H new ATOM 591 N ILE A 38 -7.059 -3.916 6.148 1.00 0.00 N ATOM 592 CA ILE A 38 -7.494 -5.304 6.124 1.00 0.00 C ATOM 593 C ILE A 38 -6.887 -6.029 4.920 1.00 0.00 C ATOM 594 O ILE A 38 -6.278 -5.418 4.044 1.00 0.00 O ATOM 595 CB ILE A 38 -9.031 -5.407 6.128 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.659 -4.710 4.908 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.620 -4.853 7.434 1.00 0.00 C ATOM 598 CD1 ILE A 38 -11.075 -5.229 4.647 1.00 0.00 C ATOM 0 H ILE A 38 -7.049 -3.475 5.228 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.137 -5.793 7.031 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.279 -6.466 6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.688 -3.633 5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.038 -4.880 4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.706 -4.939 7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.231 -5.422 8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.341 -3.805 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.495 -4.720 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.040 -6.302 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.700 -5.036 5.519 1.00 0.00 H new ATOM 610 N ARG A 39 -7.059 -7.352 4.898 1.00 0.00 N ATOM 611 CA ARG A 39 -6.714 -8.197 3.767 1.00 0.00 C ATOM 612 C ARG A 39 -7.541 -7.802 2.529 1.00 0.00 C ATOM 613 O ARG A 39 -8.669 -7.335 2.683 1.00 0.00 O ATOM 614 CB ARG A 39 -6.942 -9.667 4.165 1.00 0.00 C ATOM 615 CG ARG A 39 -8.411 -9.981 4.499 1.00 0.00 C ATOM 616 CD ARG A 39 -8.537 -11.361 5.149 1.00 0.00 C ATOM 617 NE ARG A 39 -9.918 -11.599 5.590 1.00 0.00 N ATOM 618 CZ ARG A 39 -10.303 -12.597 6.398 1.00 0.00 C ATOM 619 NH1 ARG A 39 -9.422 -13.516 6.808 1.00 0.00 N ATOM 620 NH2 ARG A 39 -11.577 -12.668 6.795 1.00 0.00 N ATOM 0 H ARG A 39 -7.450 -7.871 5.684 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.665 -8.064 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.615 -10.313 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.321 -9.904 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.807 -9.220 5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.011 -9.946 3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.238 -12.132 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.860 -11.431 6.000 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.637 -10.957 5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.449 -13.461 6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.723 -14.272 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.248 -11.966 6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.878 -13.424 7.410 1.00 0.00 H new ATOM 634 N PRO A 40 -7.036 -8.026 1.306 1.00 0.00 N ATOM 635 CA PRO A 40 -5.707 -8.533 0.999 1.00 0.00 C ATOM 636 C PRO A 40 -4.655 -7.437 1.204 1.00 0.00 C ATOM 637 O PRO A 40 -4.951 -6.248 1.088 1.00 0.00 O ATOM 638 CB PRO A 40 -5.777 -8.978 -0.465 1.00 0.00 C ATOM 639 CG PRO A 40 -6.795 -8.011 -1.064 1.00 0.00 C ATOM 640 CD PRO A 40 -7.788 -7.803 0.083 1.00 0.00 C ATOM 0 HA PRO A 40 -5.416 -9.357 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.808 -8.901 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.101 -10.015 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.330 -7.074 -1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.279 -8.430 -1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.206 -6.797 0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.624 -8.498 0.006 1.00 0.00 H new ATOM 648 N CYS A 41 -3.427 -7.853 1.521 1.00 0.00 N ATOM 649 CA CYS A 41 -2.301 -6.952 1.705 1.00 0.00 C ATOM 650 C CYS A 41 -1.068 -7.658 1.162 1.00 0.00 C ATOM 651 O CYS A 41 -0.562 -8.584 1.796 1.00 0.00 O ATOM 652 CB CYS A 41 -2.129 -6.614 3.178 1.00 0.00 C ATOM 653 SG CYS A 41 -0.693 -5.522 3.278 1.00 0.00 S ATOM 0 H CYS A 41 -3.190 -8.836 1.657 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.464 -6.013 1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.019 -6.124 3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.974 -7.516 3.769 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.997 -4.468 3.976 1.00 0.00 H new ATOM 659 N MET A 42 -0.649 -7.279 -0.048 1.00 0.00 N ATOM 660 CA MET A 42 0.313 -8.025 -0.843 1.00 0.00 C ATOM 661 C MET A 42 1.440 -7.108 -1.306 1.00 0.00 C ATOM 662 O MET A 42 1.174 -5.981 -1.721 1.00 0.00 O ATOM 663 CB MET A 42 -0.456 -8.675 -2.005 1.00 0.00 C ATOM 664 CG MET A 42 0.204 -9.957 -2.522 1.00 0.00 C ATOM 665 SD MET A 42 -0.814 -10.953 -3.640 1.00 0.00 S ATOM 666 CE MET A 42 -1.190 -9.762 -4.946 1.00 0.00 C ATOM 0 H MET A 42 -0.978 -6.429 -0.505 1.00 0.00 H new ATOM 0 HA MET A 42 0.793 -8.811 -0.260 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.471 -8.902 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.537 -7.960 -2.824 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.126 -9.689 -3.038 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.484 -10.572 -1.667 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.124 -10.254 -5.917 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.198 -9.373 -4.804 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.475 -8.940 -4.906 1.00 0.00 H new ATOM 676 N LYS A 43 2.689 -7.573 -1.216 1.00 0.00 N ATOM 677 CA LYS A 43 3.874 -6.810 -1.579 1.00 0.00 C ATOM 678 C LYS A 43 4.647 -7.506 -2.691 1.00 0.00 C ATOM 679 O LYS A 43 4.543 -8.726 -2.822 1.00 0.00 O ATOM 680 CB LYS A 43 4.766 -6.583 -0.348 1.00 0.00 C ATOM 681 CG LYS A 43 5.571 -7.824 0.071 1.00 0.00 C ATOM 682 CD LYS A 43 6.538 -7.465 1.206 1.00 0.00 C ATOM 683 CE LYS A 43 7.487 -8.626 1.530 1.00 0.00 C ATOM 684 NZ LYS A 43 6.764 -9.815 2.014 1.00 0.00 N ATOM 0 H LYS A 43 2.903 -8.512 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 43 3.554 -5.837 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.457 -5.766 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.142 -6.267 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.894 -8.614 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.127 -8.212 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.120 -6.587 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.970 -7.199 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.057 -8.887 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.205 -8.307 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.417 -10.624 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.381 -9.626 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.984 -10.036 1.363 1.00 0.00 H new ATOM 698 N LYS A 44 5.454 -6.739 -3.432 1.00 0.00 N ATOM 699 CA LYS A 44 6.359 -7.245 -4.453 1.00 0.00 C ATOM 700 C LYS A 44 7.619 -6.375 -4.501 1.00 0.00 C ATOM 701 O LYS A 44 7.548 -5.165 -4.288 1.00 0.00 O ATOM 702 CB LYS A 44 5.624 -7.278 -5.801 1.00 0.00 C ATOM 703 CG LYS A 44 6.517 -7.723 -6.963 1.00 0.00 C ATOM 704 CD LYS A 44 5.706 -7.832 -8.258 1.00 0.00 C ATOM 705 CE LYS A 44 6.584 -8.238 -9.449 1.00 0.00 C ATOM 706 NZ LYS A 44 7.674 -7.274 -9.696 1.00 0.00 N ATOM 0 H LYS A 44 5.492 -5.725 -3.331 1.00 0.00 H new ATOM 0 HA LYS A 44 6.675 -8.261 -4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.772 -7.953 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.227 -6.286 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.331 -7.010 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.972 -8.686 -6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.910 -8.565 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.228 -6.875 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.009 -9.224 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.965 -8.320 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.133 -7.494 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.284 -6.310 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.374 -7.337 -8.929 1.00 0.00 H new ATOM 720 N THR A 45 8.768 -6.993 -4.799 1.00 0.00 N ATOM 721 CA THR A 45 10.029 -6.300 -5.033 1.00 0.00 C ATOM 722 C THR A 45 10.021 -5.655 -6.422 1.00 0.00 C ATOM 723 O THR A 45 9.677 -6.315 -7.403 1.00 0.00 O ATOM 724 CB THR A 45 11.195 -7.289 -4.897 1.00 0.00 C ATOM 725 OG1 THR A 45 11.109 -7.959 -3.656 1.00 0.00 O ATOM 726 CG2 THR A 45 12.549 -6.581 -4.976 1.00 0.00 C ATOM 0 H THR A 45 8.843 -8.007 -4.884 1.00 0.00 H new ATOM 0 HA THR A 45 10.154 -5.512 -4.291 1.00 0.00 H new ATOM 0 HB THR A 45 11.123 -7.997 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.558 -8.763 -3.756 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.349 -7.314 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.639 -6.074 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.624 -5.849 -4.172 1.00 0.00 H new ATOM 734 N ILE A 46 10.420 -4.383 -6.504 1.00 0.00 N ATOM 735 CA ILE A 46 10.514 -3.609 -7.733 1.00 0.00 C ATOM 736 C ILE A 46 11.998 -3.427 -8.081 1.00 0.00 C ATOM 737 O ILE A 46 12.783 -2.847 -7.322 1.00 0.00 O ATOM 738 CB ILE A 46 9.679 -2.315 -7.609 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.406 -2.392 -8.474 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.430 -1.025 -7.970 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.450 -3.513 -8.048 1.00 0.00 C ATOM 0 H ILE A 46 10.696 -3.848 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 46 10.073 -4.127 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 46 9.433 -2.258 -6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.882 -1.438 -8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.691 -2.543 -9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.763 -0.171 -7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.290 -0.908 -7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.771 -1.080 -9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.575 -3.511 -8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.958 -4.474 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.136 -3.351 -7.017 1.00 0.00 H new ATOM 753 N TYR A 47 12.399 -3.987 -9.224 1.00 0.00 N ATOM 754 CA TYR A 47 13.781 -4.011 -9.656 1.00 0.00 C ATOM 755 C TYR A 47 13.843 -3.978 -11.174 1.00 0.00 C ATOM 756 O TYR A 47 12.806 -4.057 -11.832 1.00 0.00 O ATOM 757 CB TYR A 47 14.462 -5.257 -9.082 1.00 0.00 C ATOM 758 CG TYR A 47 14.160 -6.577 -9.752 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.963 -7.255 -9.462 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.170 -7.220 -10.493 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.777 -8.569 -9.919 1.00 0.00 C ATOM 762 CE2 TYR A 47 14.989 -8.539 -10.934 1.00 0.00 C ATOM 763 CZ TYR A 47 13.792 -9.214 -10.648 1.00 0.00 C ATOM 764 OH TYR A 47 13.633 -10.507 -11.050 1.00 0.00 O ATOM 0 H TYR A 47 11.759 -4.439 -9.877 1.00 0.00 H new ATOM 0 HA TYR A 47 14.312 -3.133 -9.287 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.540 -5.099 -9.116 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.185 -5.340 -8.031 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.189 -6.766 -8.889 1.00 0.00 H new ATOM 0 HD2 TYR A 47 16.086 -6.696 -10.722 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.852 -9.086 -9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 47 15.769 -9.034 -11.493 1.00 0.00 H new ATOM 0 HH TYR A 47 14.429 -10.797 -11.543 1.00 0.00 H new ATOM 774 N GLU A 48 15.056 -3.872 -11.713 1.00 0.00 N ATOM 775 CA GLU A 48 15.329 -3.939 -13.129 1.00 0.00 C ATOM 776 C GLU A 48 16.485 -4.916 -13.321 1.00 0.00 C ATOM 777 O GLU A 48 17.293 -5.138 -12.416 1.00 0.00 O ATOM 778 CB GLU A 48 15.657 -2.546 -13.680 1.00 0.00 C ATOM 779 CG GLU A 48 14.410 -1.648 -13.695 1.00 0.00 C ATOM 780 CD GLU A 48 14.681 -0.290 -14.334 1.00 0.00 C ATOM 781 OE1 GLU A 48 15.756 0.278 -14.036 1.00 0.00 O ATOM 782 OE2 GLU A 48 13.799 0.169 -15.091 1.00 0.00 O ATOM 0 H GLU A 48 15.895 -3.733 -11.150 1.00 0.00 H new ATOM 0 HA GLU A 48 14.457 -4.289 -13.681 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.434 -2.084 -13.070 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.056 -2.636 -14.690 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.610 -2.150 -14.240 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.058 -1.503 -12.674 1.00 0.00 H new ATOM 789 N ASN A 49 16.516 -5.491 -14.518 1.00 0.00 N ATOM 790 CA ASN A 49 17.522 -6.428 -15.000 1.00 0.00 C ATOM 791 C ASN A 49 18.637 -5.612 -15.652 1.00 0.00 C ATOM 792 O ASN A 49 19.763 -5.589 -15.155 1.00 0.00 O ATOM 793 CB ASN A 49 16.839 -7.403 -15.982 1.00 0.00 C ATOM 794 CG ASN A 49 17.795 -8.335 -16.727 1.00 0.00 C ATOM 795 OD1 ASN A 49 19.012 -8.229 -16.633 1.00 0.00 O ATOM 796 ND2 ASN A 49 17.234 -9.252 -17.511 1.00 0.00 N ATOM 0 H ASN A 49 15.798 -5.304 -15.218 1.00 0.00 H new ATOM 0 HA ASN A 49 17.962 -7.024 -14.200 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.120 -8.008 -15.430 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.274 -6.824 -16.713 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.820 -9.888 -18.052 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.218 -9.319 -17.571 1.00 0.00 H new ATOM 803 N GLU A 50 18.266 -4.938 -16.751 1.00 0.00 N ATOM 804 CA GLU A 50 19.060 -4.091 -17.635 1.00 0.00 C ATOM 805 C GLU A 50 20.480 -3.830 -17.122 1.00 0.00 C ATOM 806 O GLU A 50 20.740 -2.811 -16.485 1.00 0.00 O ATOM 807 CB GLU A 50 18.305 -2.780 -17.914 1.00 0.00 C ATOM 808 CG GLU A 50 16.912 -2.988 -18.538 1.00 0.00 C ATOM 809 CD GLU A 50 15.807 -3.127 -17.493 1.00 0.00 C ATOM 810 OE1 GLU A 50 15.623 -4.264 -17.000 1.00 0.00 O ATOM 811 OE2 GLU A 50 15.175 -2.092 -17.195 1.00 0.00 O ATOM 0 H GLU A 50 17.298 -4.982 -17.070 1.00 0.00 H new ATOM 0 HA GLU A 50 19.193 -4.635 -18.570 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.196 -2.228 -16.980 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.904 -2.161 -18.582 1.00 0.00 H new ATOM 0 HG2 GLU A 50 16.683 -2.146 -19.192 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.929 -3.881 -19.162 1.00 0.00 H new ATOM 818 N GLY A 51 21.385 -4.767 -17.418 1.00 0.00 N ATOM 819 CA GLY A 51 22.735 -4.796 -16.890 1.00 0.00 C ATOM 820 C GLY A 51 22.988 -6.185 -16.326 1.00 0.00 C ATOM 821 O GLY A 51 23.653 -6.998 -16.962 1.00 0.00 O ATOM 0 H GLY A 51 21.185 -5.543 -18.049 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.456 -4.566 -17.674 1.00 0.00 H new ATOM 0 HA3 GLY A 51 22.857 -4.041 -16.113 1.00 0.00 H new ATOM 825 N PHE A 52 22.412 -6.444 -15.150 1.00 0.00 N ATOM 826 CA PHE A 52 22.485 -7.713 -14.440 1.00 0.00 C ATOM 827 C PHE A 52 21.282 -7.806 -13.498 1.00 0.00 C ATOM 828 O PHE A 52 20.418 -8.662 -13.666 1.00 0.00 O ATOM 829 CB PHE A 52 23.800 -7.831 -13.647 1.00 0.00 C ATOM 830 CG PHE A 52 25.067 -7.895 -14.480 1.00 0.00 C ATOM 831 CD1 PHE A 52 25.376 -9.065 -15.198 1.00 0.00 C ATOM 832 CD2 PHE A 52 25.909 -6.771 -14.580 1.00 0.00 C ATOM 833 CE1 PHE A 52 26.516 -9.109 -16.018 1.00 0.00 C ATOM 834 CE2 PHE A 52 27.050 -6.817 -15.402 1.00 0.00 C ATOM 835 CZ PHE A 52 27.353 -7.986 -16.122 1.00 0.00 C ATOM 0 H PHE A 52 21.862 -5.745 -14.651 1.00 0.00 H new ATOM 0 HA PHE A 52 22.465 -8.533 -15.158 1.00 0.00 H new ATOM 0 HB2 PHE A 52 23.874 -6.978 -12.972 1.00 0.00 H new ATOM 0 HB3 PHE A 52 23.750 -8.726 -13.026 1.00 0.00 H new ATOM 0 HD1 PHE A 52 24.736 -9.931 -15.119 1.00 0.00 H new ATOM 0 HD2 PHE A 52 25.679 -5.873 -14.026 1.00 0.00 H new ATOM 0 HE1 PHE A 52 26.749 -10.008 -16.569 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.694 -5.953 -15.480 1.00 0.00 H new ATOM 0 HZ PHE A 52 28.228 -8.020 -16.754 1.00 0.00 H new ATOM 845 N ARG A 53 21.249 -6.930 -12.489 1.00 0.00 N ATOM 846 CA ARG A 53 20.213 -6.862 -11.472 1.00 0.00 C ATOM 847 C ARG A 53 20.438 -5.590 -10.662 1.00 0.00 C ATOM 848 O ARG A 53 21.589 -5.206 -10.451 1.00 0.00 O ATOM 849 CB ARG A 53 20.249 -8.108 -10.561 1.00 0.00 C ATOM 850 CG ARG A 53 21.589 -8.343 -9.835 1.00 0.00 C ATOM 851 CD ARG A 53 21.596 -7.802 -8.397 1.00 0.00 C ATOM 852 NE ARG A 53 22.927 -7.947 -7.789 1.00 0.00 N ATOM 853 CZ ARG A 53 23.244 -7.568 -6.543 1.00 0.00 C ATOM 854 NH1 ARG A 53 22.306 -7.083 -5.722 1.00 0.00 N ATOM 855 NH2 ARG A 53 24.508 -7.675 -6.120 1.00 0.00 N ATOM 0 H ARG A 53 21.974 -6.225 -12.360 1.00 0.00 H new ATOM 0 HA ARG A 53 19.229 -6.840 -11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 53 19.459 -8.018 -9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.020 -8.987 -11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 53 21.803 -9.412 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 53 22.390 -7.867 -10.400 1.00 0.00 H new ATOM 0 HD2 ARG A 53 21.304 -6.752 -8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.858 -8.337 -7.799 1.00 0.00 H new ATOM 0 HE ARG A 53 23.663 -8.367 -8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.341 -6.999 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 53 22.555 -6.797 -4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 53 25.225 -8.044 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.755 -7.388 -5.173 1.00 0.00 H new ATOM 869 N GLU A 54 19.364 -4.950 -10.196 1.00 0.00 N ATOM 870 CA GLU A 54 19.414 -3.890 -9.204 1.00 0.00 C ATOM 871 C GLU A 54 18.015 -3.723 -8.614 1.00 0.00 C ATOM 872 O GLU A 54 17.096 -3.327 -9.331 1.00 0.00 O ATOM 873 CB GLU A 54 19.931 -2.572 -9.803 1.00 0.00 C ATOM 874 CG GLU A 54 20.127 -1.511 -8.710 1.00 0.00 C ATOM 875 CD GLU A 54 20.576 -0.180 -9.301 1.00 0.00 C ATOM 876 OE1 GLU A 54 19.678 0.591 -9.706 1.00 0.00 O ATOM 877 OE2 GLU A 54 21.806 0.040 -9.335 1.00 0.00 O ATOM 0 H GLU A 54 18.417 -5.164 -10.509 1.00 0.00 H new ATOM 0 HA GLU A 54 20.118 -4.162 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.876 -2.748 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.225 -2.205 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.194 -1.372 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.868 -1.860 -7.991 1.00 0.00 H new ATOM 884 N ILE A 55 17.856 -4.026 -7.320 1.00 0.00 N ATOM 885 CA ILE A 55 16.625 -3.751 -6.591 1.00 0.00 C ATOM 886 C ILE A 55 16.531 -2.241 -6.396 1.00 0.00 C ATOM 887 O ILE A 55 17.452 -1.634 -5.854 1.00 0.00 O ATOM 888 CB ILE A 55 16.558 -4.537 -5.267 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.545 -6.048 -5.574 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.295 -4.130 -4.490 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.597 -6.927 -4.319 1.00 0.00 C ATOM 0 H ILE A 55 18.580 -4.468 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 55 15.760 -4.091 -7.160 1.00 0.00 H new ATOM 0 HB ILE A 55 17.430 -4.309 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.644 -6.288 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.395 -6.289 -6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.249 -4.686 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.328 -3.062 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.412 -4.353 -5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.585 -7.977 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.511 -6.715 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.733 -6.715 -3.690 1.00 0.00 H new ATOM 903 N LYS A 56 15.436 -1.644 -6.869 1.00 0.00 N ATOM 904 CA LYS A 56 15.232 -0.206 -6.820 1.00 0.00 C ATOM 905 C LYS A 56 14.289 0.132 -5.669 1.00 0.00 C ATOM 906 O LYS A 56 14.454 1.154 -5.002 1.00 0.00 O ATOM 907 CB LYS A 56 14.711 0.285 -8.176 1.00 0.00 C ATOM 908 CG LYS A 56 15.701 -0.095 -9.291 1.00 0.00 C ATOM 909 CD LYS A 56 15.312 0.479 -10.660 1.00 0.00 C ATOM 910 CE LYS A 56 15.550 1.988 -10.790 1.00 0.00 C ATOM 911 NZ LYS A 56 16.976 2.336 -10.647 1.00 0.00 N ATOM 0 H LYS A 56 14.664 -2.153 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 56 16.174 0.310 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.735 -0.155 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.575 1.366 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.696 0.262 -9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.760 -1.181 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.880 -0.037 -11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.258 0.270 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.189 2.330 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.971 2.513 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.132 3.306 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.250 2.272 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.552 1.676 -11.207 1.00 0.00 H new ATOM 925 N GLY A 57 13.314 -0.736 -5.399 1.00 0.00 N ATOM 926 CA GLY A 57 12.386 -0.520 -4.311 1.00 0.00 C ATOM 927 C GLY A 57 11.473 -1.721 -4.141 1.00 0.00 C ATOM 928 O GLY A 57 11.763 -2.812 -4.630 1.00 0.00 O ATOM 0 H GLY A 57 13.154 -1.595 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.936 -0.341 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.790 0.372 -4.506 1.00 0.00 H new ATOM 932 N TYR A 58 10.359 -1.511 -3.449 1.00 0.00 N ATOM 933 CA TYR A 58 9.307 -2.487 -3.263 1.00 0.00 C ATOM 934 C TYR A 58 7.982 -1.742 -3.375 1.00 0.00 C ATOM 935 O TYR A 58 7.944 -0.522 -3.188 1.00 0.00 O ATOM 936 CB TYR A 58 9.431 -3.157 -1.889 1.00 0.00 C ATOM 937 CG TYR A 58 10.833 -3.597 -1.499 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.758 -2.649 -1.022 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.241 -4.932 -1.677 1.00 0.00 C ATOM 940 CE1 TYR A 58 13.099 -3.009 -0.805 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.580 -5.297 -1.446 1.00 0.00 C ATOM 942 CZ TYR A 58 13.514 -4.331 -1.036 1.00 0.00 C ATOM 943 OH TYR A 58 14.817 -4.684 -0.855 1.00 0.00 O ATOM 0 H TYR A 58 10.163 -0.623 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 58 9.374 -3.274 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 58 9.063 -2.465 -1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.777 -4.029 -1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.435 -1.638 -0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.525 -5.677 -1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.809 -2.271 -0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.891 -6.322 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 58 14.929 -5.636 -1.058 1.00 0.00 H new ATOM 953 N GLU A 59 6.914 -2.479 -3.668 1.00 0.00 N ATOM 954 CA GLU A 59 5.547 -1.988 -3.718 1.00 0.00 C ATOM 955 C GLU A 59 4.701 -2.827 -2.770 1.00 0.00 C ATOM 956 O GLU A 59 4.978 -4.016 -2.599 1.00 0.00 O ATOM 957 CB GLU A 59 4.989 -2.071 -5.142 1.00 0.00 C ATOM 958 CG GLU A 59 5.621 -1.000 -6.041 1.00 0.00 C ATOM 959 CD GLU A 59 5.045 -1.004 -7.456 1.00 0.00 C ATOM 960 OE1 GLU A 59 4.233 -1.906 -7.755 1.00 0.00 O ATOM 961 OE2 GLU A 59 5.435 -0.097 -8.224 1.00 0.00 O ATOM 0 H GLU A 59 6.984 -3.473 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 59 5.524 -0.941 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.184 -3.060 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.907 -1.942 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.467 -0.018 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.698 -1.162 -6.091 1.00 0.00 H new ATOM 968 N TYR A 60 3.690 -2.197 -2.164 1.00 0.00 N ATOM 969 CA TYR A 60 2.777 -2.803 -1.212 1.00 0.00 C ATOM 970 C TYR A 60 1.365 -2.352 -1.574 1.00 0.00 C ATOM 971 O TYR A 60 1.037 -1.175 -1.435 1.00 0.00 O ATOM 972 CB TYR A 60 3.123 -2.363 0.210 1.00 0.00 C ATOM 973 CG TYR A 60 4.525 -2.694 0.679 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.611 -1.885 0.281 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.728 -3.719 1.628 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.887 -2.103 0.831 1.00 0.00 C ATOM 977 CE2 TYR A 60 6.003 -3.916 2.191 1.00 0.00 C ATOM 978 CZ TYR A 60 7.071 -3.087 1.813 1.00 0.00 C ATOM 979 OH TYR A 60 8.221 -3.084 2.532 1.00 0.00 O ATOM 0 H TYR A 60 3.484 -1.213 -2.335 1.00 0.00 H new ATOM 0 HA TYR A 60 2.853 -3.890 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.981 -1.285 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.412 -2.824 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.462 -1.099 -0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.904 -4.353 1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.726 -1.512 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.159 -4.704 2.913 1.00 0.00 H new ATOM 0 HH TYR A 60 8.206 -3.823 3.175 1.00 0.00 H new ATOM 989 N GLN A 61 0.547 -3.286 -2.052 1.00 0.00 N ATOM 990 CA GLN A 61 -0.838 -3.080 -2.437 1.00 0.00 C ATOM 991 C GLN A 61 -1.721 -3.603 -1.305 1.00 0.00 C ATOM 992 O GLN A 61 -1.750 -4.813 -1.069 1.00 0.00 O ATOM 993 CB GLN A 61 -1.089 -3.812 -3.760 1.00 0.00 C ATOM 994 CG GLN A 61 -2.529 -3.611 -4.259 1.00 0.00 C ATOM 995 CD GLN A 61 -3.344 -4.903 -4.316 1.00 0.00 C ATOM 996 OE1 GLN A 61 -3.997 -5.173 -5.319 1.00 0.00 O ATOM 997 NE2 GLN A 61 -3.334 -5.708 -3.255 1.00 0.00 N ATOM 0 H GLN A 61 0.850 -4.251 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.070 -2.027 -2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.389 -3.451 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.895 -4.877 -3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.035 -2.901 -3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.501 -3.165 -5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.783 -5.461 -2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.877 -6.571 -3.265 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.431 -2.710 -0.614 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.166 -3.029 0.604 1.00 0.00 C ATOM 1008 C LEU A 62 -4.517 -2.320 0.637 1.00 0.00 C ATOM 1009 O LEU A 62 -4.652 -1.225 0.096 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.278 -2.733 1.826 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.726 -1.297 1.942 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.642 -0.378 2.757 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.359 -1.343 2.637 1.00 0.00 C ATOM 0 H LEU A 62 -2.511 -1.732 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.404 -4.092 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.852 -2.952 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.434 -3.423 1.810 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.654 -0.896 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.206 0.620 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.620 -0.323 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.753 -0.776 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.039 -0.332 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.471 -1.775 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.327 -1.954 2.051 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.527 -2.966 1.229 1.00 0.00 N ATOM 1026 CA TYR A 63 -6.889 -2.476 1.272 1.00 0.00 C ATOM 1027 C TYR A 63 -7.156 -1.817 2.629 1.00 0.00 C ATOM 1028 O TYR A 63 -7.095 -2.475 3.669 1.00 0.00 O ATOM 1029 CB TYR A 63 -7.832 -3.642 0.967 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.024 -3.892 -0.519 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -6.974 -4.424 -1.290 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.228 -3.523 -1.149 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.147 -4.633 -2.670 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.405 -3.740 -2.526 1.00 0.00 C ATOM 1035 CZ TYR A 63 -8.362 -4.292 -3.288 1.00 0.00 C ATOM 1036 OH TYR A 63 -8.515 -4.476 -4.628 1.00 0.00 O ATOM 0 H TYR A 63 -5.407 -3.863 1.699 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.061 -1.707 0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.441 -4.547 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.802 -3.443 1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.033 -4.672 -0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.020 -3.071 -0.571 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.345 -5.056 -3.256 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.342 -3.483 -2.998 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.413 -4.191 -4.897 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.423 -0.507 2.615 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.577 0.330 3.795 1.00 0.00 C ATOM 1048 C VAL A 64 -9.014 0.834 3.921 1.00 0.00 C ATOM 1049 O VAL A 64 -9.582 1.359 2.963 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.520 1.449 3.786 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.682 2.453 2.637 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.507 2.191 5.128 1.00 0.00 C ATOM 0 H VAL A 64 -7.541 0.013 1.745 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.396 -0.259 4.694 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.565 0.948 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.899 3.209 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.604 1.930 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.658 2.934 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.753 2.978 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.487 2.633 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.272 1.490 5.929 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.609 0.653 5.104 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.908 1.184 5.465 1.00 0.00 C ATOM 1064 C TYR A 65 -10.704 2.591 6.024 1.00 0.00 C ATOM 1065 O TYR A 65 -10.039 2.762 7.050 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.590 0.271 6.500 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.735 -0.567 5.969 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.854 0.072 5.405 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.755 -1.960 6.165 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.955 -0.683 4.966 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.862 -2.715 5.737 1.00 0.00 C ATOM 1072 CZ TYR A 65 -14.955 -2.077 5.123 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.010 -2.808 4.667 1.00 0.00 O ATOM 0 H TYR A 65 -9.178 0.114 5.855 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.558 1.227 4.591 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.839 -0.396 6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.962 0.890 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.867 1.148 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.920 -2.450 6.644 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.800 -0.191 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.873 -3.785 5.880 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.854 -3.758 4.852 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.292 3.589 5.360 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.309 4.972 5.800 1.00 0.00 C ATOM 1085 C ALA A 66 -12.755 5.454 5.741 1.00 0.00 C ATOM 1086 O ALA A 66 -13.427 5.251 4.735 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.393 5.808 4.905 1.00 0.00 C ATOM 0 H ALA A 66 -11.781 3.445 4.477 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.938 5.071 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.408 6.846 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.375 5.422 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.742 5.752 3.874 1.00 0.00 H new ATOM 1093 N SER A 67 -13.256 6.041 6.829 1.00 0.00 N ATOM 1094 CA SER A 67 -14.632 6.523 6.929 1.00 0.00 C ATOM 1095 C SER A 67 -15.641 5.426 6.543 1.00 0.00 C ATOM 1096 O SER A 67 -16.614 5.670 5.835 1.00 0.00 O ATOM 1097 CB SER A 67 -14.795 7.795 6.082 1.00 0.00 C ATOM 1098 OG SER A 67 -15.797 8.624 6.637 1.00 0.00 O ATOM 0 H SER A 67 -12.709 6.196 7.676 1.00 0.00 H new ATOM 0 HA SER A 67 -14.847 6.779 7.967 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.849 8.335 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.059 7.528 5.059 1.00 0.00 H new ATOM 0 HG SER A 67 -15.892 9.432 6.091 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.375 4.193 6.993 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.151 2.998 6.674 1.00 0.00 C ATOM 1106 C ASP A 68 -16.367 2.809 5.162 1.00 0.00 C ATOM 1107 O ASP A 68 -17.382 2.264 4.736 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.468 2.992 7.467 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.193 1.649 7.392 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.501 0.617 7.536 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.431 1.678 7.216 1.00 0.00 O ATOM 0 H ASP A 68 -14.586 3.998 7.610 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.568 2.131 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.261 3.231 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.122 3.776 7.084 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.393 3.225 4.347 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.331 2.937 2.924 1.00 0.00 C ATOM 1118 C LYS A 69 -13.974 2.290 2.666 1.00 0.00 C ATOM 1119 O LYS A 69 -12.959 2.778 3.164 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.494 4.238 2.129 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.893 4.855 2.265 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.948 4.068 1.473 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.346 4.668 1.659 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.826 4.500 3.042 1.00 0.00 N ATOM 0 H LYS A 69 -14.607 3.787 4.675 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.130 2.266 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.751 4.960 2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.291 4.042 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.176 4.883 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.870 5.886 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.687 4.069 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.950 3.028 1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.325 5.728 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.043 4.190 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.836 4.744 3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.694 3.512 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.287 5.125 3.675 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.960 1.163 1.950 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.740 0.425 1.680 1.00 0.00 C ATOM 1140 C LEU A 70 -12.124 0.962 0.388 1.00 0.00 C ATOM 1141 O LEU A 70 -12.818 1.079 -0.621 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.061 -1.074 1.610 1.00 0.00 C ATOM 1143 CG LEU A 70 -11.804 -1.958 1.574 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.135 -2.020 2.949 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.193 -3.383 1.171 1.00 0.00 C ATOM 0 H LEU A 70 -14.797 0.743 1.545 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.008 0.557 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.668 -1.350 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.661 -1.270 0.722 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.110 -1.525 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.249 -2.652 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.846 -1.016 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.833 -2.437 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.302 -4.010 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.900 -3.786 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.655 -3.369 0.184 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.837 1.309 0.428 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.065 1.784 -0.710 1.00 0.00 C ATOM 1159 C PHE A 71 -8.830 0.905 -0.850 1.00 0.00 C ATOM 1160 O PHE A 71 -8.340 0.372 0.143 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.636 3.236 -0.476 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.767 4.243 -0.546 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.520 4.547 0.603 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.966 4.985 -1.724 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.461 5.588 0.571 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.931 6.004 -1.763 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.679 6.308 -0.616 1.00 0.00 C ATOM 0 H PHE A 71 -10.288 1.264 1.287 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.668 1.737 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.162 3.308 0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.882 3.503 -1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.374 3.979 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.374 4.770 -2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.019 5.836 1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.098 6.554 -2.677 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.420 7.093 -0.645 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.310 0.776 -2.070 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.030 0.141 -2.327 1.00 0.00 C ATOM 1179 C ARG A 72 -5.961 1.231 -2.323 1.00 0.00 C ATOM 1180 O ARG A 72 -6.115 2.236 -3.017 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.075 -0.573 -3.680 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.820 -1.430 -3.881 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.747 -1.966 -5.311 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.375 -0.894 -6.247 1.00 0.00 N ATOM 1185 CZ ARG A 72 -4.611 -1.032 -7.339 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -4.173 -2.236 -7.727 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.289 0.057 -8.044 1.00 0.00 N ATOM 0 H ARG A 72 -8.775 1.115 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.801 -0.602 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.964 -1.202 -3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.153 0.161 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.931 -0.837 -3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.826 -2.262 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.017 -2.774 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.711 -2.388 -5.597 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.731 0.040 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.420 -3.066 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.592 -2.323 -8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.624 0.974 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.708 -0.029 -8.878 1.00 0.00 H new ATOM 1201 N ALA A 73 -4.883 1.032 -1.564 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.717 1.895 -1.548 1.00 0.00 C ATOM 1203 C ALA A 73 -2.516 1.096 -2.047 1.00 0.00 C ATOM 1204 O ALA A 73 -2.299 -0.033 -1.602 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.489 2.418 -0.130 1.00 0.00 C ATOM 0 H ALA A 73 -4.802 0.240 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.864 2.755 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.613 3.066 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.363 2.983 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.328 1.578 0.546 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.749 1.682 -2.969 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.497 1.148 -3.478 1.00 0.00 C ATOM 1213 C ASP A 74 0.609 2.070 -2.986 1.00 0.00 C ATOM 1214 O ASP A 74 0.737 3.207 -3.447 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.544 1.058 -5.002 1.00 0.00 C ATOM 1216 CG ASP A 74 0.785 0.647 -5.618 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.541 -0.084 -4.941 1.00 0.00 O ATOM 1218 OD2 ASP A 74 1.008 1.068 -6.775 1.00 0.00 O ATOM 0 H ASP A 74 -1.998 2.575 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.314 0.135 -3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.310 0.340 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.842 2.025 -5.408 1.00 0.00 H new ATOM 1223 N ILE A 75 1.380 1.573 -2.025 1.00 0.00 N ATOM 1224 CA ILE A 75 2.498 2.257 -1.383 1.00 0.00 C ATOM 1225 C ILE A 75 3.787 1.740 -2.009 1.00 0.00 C ATOM 1226 O ILE A 75 3.793 0.614 -2.507 1.00 0.00 O ATOM 1227 CB ILE A 75 2.501 1.936 0.128 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.101 1.980 0.764 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.462 2.847 0.900 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.393 3.323 0.568 1.00 0.00 C ATOM 0 H ILE A 75 1.235 0.634 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 75 2.411 3.335 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 75 2.854 0.907 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.488 1.187 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.187 1.774 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.435 2.590 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.475 2.713 0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.160 3.886 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.589 3.289 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.986 4.117 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.277 3.521 -0.498 1.00 0.00 H new ATOM 1242 N SER A 76 4.861 2.538 -1.996 1.00 0.00 N ATOM 1243 CA SER A 76 6.168 2.050 -2.394 1.00 0.00 C ATOM 1244 C SER A 76 7.211 2.462 -1.365 1.00 0.00 C ATOM 1245 O SER A 76 6.998 3.385 -0.574 1.00 0.00 O ATOM 1246 CB SER A 76 6.496 2.544 -3.802 1.00 0.00 C ATOM 1247 OG SER A 76 7.680 1.952 -4.299 1.00 0.00 O ATOM 0 H SER A 76 4.842 3.518 -1.714 1.00 0.00 H new ATOM 0 HA SER A 76 6.169 0.961 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.666 2.316 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.608 3.628 -3.791 1.00 0.00 H new ATOM 0 HG SER A 76 7.781 1.054 -3.919 1.00 0.00 H new ATOM 1253 N GLU A 77 8.333 1.741 -1.391 1.00 0.00 N ATOM 1254 CA GLU A 77 9.523 1.988 -0.595 1.00 0.00 C ATOM 1255 C GLU A 77 10.703 1.974 -1.564 1.00 0.00 C ATOM 1256 O GLU A 77 10.874 0.986 -2.279 1.00 0.00 O ATOM 1257 CB GLU A 77 9.629 0.903 0.489 1.00 0.00 C ATOM 1258 CG GLU A 77 10.588 1.256 1.641 1.00 0.00 C ATOM 1259 CD GLU A 77 12.071 1.009 1.367 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.399 0.485 0.282 1.00 0.00 O ATOM 1261 OE2 GLU A 77 12.856 1.323 2.286 1.00 0.00 O ATOM 0 H GLU A 77 8.435 0.930 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 77 9.498 2.947 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.637 0.718 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.961 -0.026 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.454 2.308 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.299 0.680 2.520 1.00 0.00 H new ATOM 1268 N ASP A 78 11.464 3.071 -1.621 1.00 0.00 N ATOM 1269 CA ASP A 78 12.660 3.199 -2.436 1.00 0.00 C ATOM 1270 C ASP A 78 13.830 2.599 -1.659 1.00 0.00 C ATOM 1271 O ASP A 78 14.158 3.098 -0.583 1.00 0.00 O ATOM 1272 CB ASP A 78 12.929 4.683 -2.713 1.00 0.00 C ATOM 1273 CG ASP A 78 11.866 5.353 -3.572 1.00 0.00 C ATOM 1274 OD1 ASP A 78 11.407 4.708 -4.542 1.00 0.00 O ATOM 1275 OD2 ASP A 78 11.544 6.519 -3.252 1.00 0.00 O ATOM 0 H ASP A 78 11.253 3.913 -1.085 1.00 0.00 H new ATOM 0 HA ASP A 78 12.534 2.679 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.001 5.212 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.896 4.781 -3.207 1.00 0.00 H new ATOM 1280 N TYR A 79 14.468 1.558 -2.205 1.00 0.00 N ATOM 1281 CA TYR A 79 15.465 0.763 -1.501 1.00 0.00 C ATOM 1282 C TYR A 79 16.630 1.626 -1.019 1.00 0.00 C ATOM 1283 O TYR A 79 16.938 1.658 0.169 1.00 0.00 O ATOM 1284 CB TYR A 79 15.954 -0.368 -2.420 1.00 0.00 C ATOM 1285 CG TYR A 79 17.191 -1.099 -1.930 1.00 0.00 C ATOM 1286 CD1 TYR A 79 17.178 -1.764 -0.690 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.383 -1.041 -2.678 1.00 0.00 C ATOM 1288 CE1 TYR A 79 18.342 -2.392 -0.214 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.549 -1.660 -2.195 1.00 0.00 C ATOM 1290 CZ TYR A 79 19.528 -2.336 -0.965 1.00 0.00 C ATOM 1291 OH TYR A 79 20.665 -2.930 -0.506 1.00 0.00 O ATOM 0 H TYR A 79 14.300 1.245 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 79 15.006 0.328 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.147 -1.091 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.162 0.049 -3.406 1.00 0.00 H new ATOM 0 HD1 TYR A 79 16.272 -1.792 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.401 -0.520 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 79 18.325 -2.918 0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.462 -1.615 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 79 21.389 -2.794 -1.152 1.00 0.00 H new ATOM 1301 N LYS A 80 17.298 2.304 -1.954 1.00 0.00 N ATOM 1302 CA LYS A 80 18.534 3.014 -1.664 1.00 0.00 C ATOM 1303 C LYS A 80 18.248 4.219 -0.771 1.00 0.00 C ATOM 1304 O LYS A 80 18.978 4.486 0.179 1.00 0.00 O ATOM 1305 CB LYS A 80 19.222 3.411 -2.979 1.00 0.00 C ATOM 1306 CG LYS A 80 20.663 3.879 -2.733 1.00 0.00 C ATOM 1307 CD LYS A 80 21.341 4.240 -4.061 1.00 0.00 C ATOM 1308 CE LYS A 80 22.835 4.537 -3.877 1.00 0.00 C ATOM 1309 NZ LYS A 80 23.068 5.682 -2.978 1.00 0.00 N ATOM 0 H LYS A 80 16.996 2.373 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 80 19.218 2.364 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.224 2.561 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.656 4.207 -3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 80 20.663 4.744 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 80 21.227 3.093 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 80 21.218 3.418 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 80 20.849 5.110 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 80 23.332 3.654 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 80 23.285 4.742 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 24.086 5.889 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 22.560 6.515 -3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 22.722 5.451 -2.025 1.00 0.00 H new ATOM 1323 N THR A 81 17.181 4.956 -1.088 1.00 0.00 N ATOM 1324 CA THR A 81 16.761 6.123 -0.337 1.00 0.00 C ATOM 1325 C THR A 81 16.269 5.727 1.057 1.00 0.00 C ATOM 1326 O THR A 81 16.346 6.529 1.984 1.00 0.00 O ATOM 1327 CB THR A 81 15.641 6.818 -1.126 1.00 0.00 C ATOM 1328 OG1 THR A 81 15.849 6.635 -2.514 1.00 0.00 O ATOM 1329 CG2 THR A 81 15.557 8.314 -0.810 1.00 0.00 C ATOM 0 H THR A 81 16.581 4.749 -1.887 1.00 0.00 H new ATOM 0 HA THR A 81 17.604 6.800 -0.203 1.00 0.00 H new ATOM 0 HB THR A 81 14.697 6.364 -0.826 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.132 7.078 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.752 8.764 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.358 8.451 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.501 8.794 -1.067 1.00 0.00 H new ATOM 1337 N ARG A 82 15.707 4.517 1.186 1.00 0.00 N ATOM 1338 CA ARG A 82 14.983 4.069 2.359 1.00 0.00 C ATOM 1339 C ARG A 82 13.862 5.056 2.693 1.00 0.00 C ATOM 1340 O ARG A 82 13.701 5.472 3.839 1.00 0.00 O ATOM 1341 CB ARG A 82 15.932 3.802 3.532 1.00 0.00 C ATOM 1342 CG ARG A 82 16.965 2.726 3.183 1.00 0.00 C ATOM 1343 CD ARG A 82 17.769 2.333 4.424 1.00 0.00 C ATOM 1344 NE ARG A 82 18.671 1.214 4.126 1.00 0.00 N ATOM 1345 CZ ARG A 82 19.390 0.549 5.041 1.00 0.00 C ATOM 1346 NH1 ARG A 82 19.358 0.923 6.325 1.00 0.00 N ATOM 1347 NH2 ARG A 82 20.137 -0.493 4.665 1.00 0.00 N ATOM 0 H ARG A 82 15.751 3.812 0.451 1.00 0.00 H new ATOM 0 HA ARG A 82 14.508 3.111 2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.444 4.725 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.357 3.487 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.462 1.849 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.637 3.096 2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.346 3.188 4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.090 2.054 5.230 1.00 0.00 H new ATOM 0 HE ARG A 82 18.757 0.921 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.785 1.717 6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.907 0.414 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.158 -0.779 3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.686 -1.003 5.357 1.00 0.00 H new ATOM 1361 N GLY A 83 13.088 5.428 1.667 1.00 0.00 N ATOM 1362 CA GLY A 83 12.008 6.405 1.765 1.00 0.00 C ATOM 1363 C GLY A 83 10.716 5.809 1.217 1.00 0.00 C ATOM 1364 O GLY A 83 10.753 5.100 0.210 1.00 0.00 O ATOM 0 H GLY A 83 13.201 5.048 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.869 6.703 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.268 7.305 1.208 1.00 0.00 H new ATOM 1368 N ARG A 84 9.588 6.082 1.886 1.00 0.00 N ATOM 1369 CA ARG A 84 8.265 5.651 1.446 1.00 0.00 C ATOM 1370 C ARG A 84 7.607 6.725 0.584 1.00 0.00 C ATOM 1371 O ARG A 84 8.107 7.846 0.476 1.00 0.00 O ATOM 1372 CB ARG A 84 7.355 5.352 2.645 1.00 0.00 C ATOM 1373 CG ARG A 84 7.855 4.192 3.516 1.00 0.00 C ATOM 1374 CD ARG A 84 7.264 2.877 2.989 1.00 0.00 C ATOM 1375 NE ARG A 84 7.853 1.707 3.653 1.00 0.00 N ATOM 1376 CZ ARG A 84 7.459 0.449 3.419 1.00 0.00 C ATOM 1377 NH1 ARG A 84 6.332 0.217 2.739 1.00 0.00 N ATOM 1378 NH2 ARG A 84 8.215 -0.566 3.848 1.00 0.00 N ATOM 0 H ARG A 84 9.574 6.614 2.756 1.00 0.00 H new ATOM 0 HA ARG A 84 8.398 4.741 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.271 6.248 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.354 5.119 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.944 4.149 3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.561 4.347 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.185 2.877 3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.433 2.808 1.914 1.00 0.00 H new ATOM 0 HE ARG A 84 8.602 1.861 4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.772 0.998 2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.032 -0.741 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.084 -0.379 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.923 -1.528 3.675 1.00 0.00 H new ATOM 1392 N LYS A 85 6.458 6.359 0.010 1.00 0.00 N ATOM 1393 CA LYS A 85 5.647 7.151 -0.901 1.00 0.00 C ATOM 1394 C LYS A 85 4.347 6.425 -1.238 1.00 0.00 C ATOM 1395 O LYS A 85 4.335 5.202 -1.371 1.00 0.00 O ATOM 1396 CB LYS A 85 6.439 7.473 -2.176 1.00 0.00 C ATOM 1397 CG LYS A 85 6.834 6.206 -2.945 1.00 0.00 C ATOM 1398 CD LYS A 85 8.244 6.307 -3.528 1.00 0.00 C ATOM 1399 CE LYS A 85 8.342 7.412 -4.584 1.00 0.00 C ATOM 1400 NZ LYS A 85 9.666 7.416 -5.225 1.00 0.00 N ATOM 0 H LYS A 85 6.048 5.441 0.184 1.00 0.00 H new ATOM 0 HA LYS A 85 5.390 8.089 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.841 8.116 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.337 8.032 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.778 5.345 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.120 6.033 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.956 6.505 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.523 5.352 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.569 7.267 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.156 8.381 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.862 8.362 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.393 7.170 -4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.680 6.719 -5.996 1.00 0.00 H new ATOM 1414 N LEU A 86 3.252 7.178 -1.374 1.00 0.00 N ATOM 1415 CA LEU A 86 2.015 6.679 -1.963 1.00 0.00 C ATOM 1416 C LEU A 86 2.198 6.701 -3.483 1.00 0.00 C ATOM 1417 O LEU A 86 2.507 7.759 -4.024 1.00 0.00 O ATOM 1418 CB LEU A 86 0.871 7.612 -1.542 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.501 7.262 -2.142 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.010 5.914 -1.623 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.507 8.358 -1.773 1.00 0.00 C ATOM 0 H LEU A 86 3.202 8.152 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 86 1.781 5.667 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.791 7.598 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.128 8.632 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.393 7.192 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.982 5.697 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.304 5.129 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.107 5.955 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.482 8.115 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.589 8.426 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.167 9.314 -2.172 1.00 0.00 H new ATOM 1433 N LEU A 87 2.011 5.572 -4.172 1.00 0.00 N ATOM 1434 CA LEU A 87 1.938 5.580 -5.627 1.00 0.00 C ATOM 1435 C LEU A 87 0.516 5.959 -6.036 1.00 0.00 C ATOM 1436 O LEU A 87 0.318 6.947 -6.741 1.00 0.00 O ATOM 1437 CB LEU A 87 2.319 4.217 -6.229 1.00 0.00 C ATOM 1438 CG LEU A 87 3.817 3.886 -6.148 1.00 0.00 C ATOM 1439 CD1 LEU A 87 4.016 2.434 -6.600 1.00 0.00 C ATOM 1440 CD2 LEU A 87 4.662 4.794 -7.051 1.00 0.00 C ATOM 0 H LEU A 87 1.909 4.651 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 87 2.653 6.307 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.758 3.436 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.010 4.196 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 87 4.141 4.039 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.075 2.179 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.451 1.769 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.664 2.321 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.713 4.522 -6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.345 4.674 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.529 5.833 -6.749 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.473 5.162 -5.617 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.858 5.324 -6.035 1.00 0.00 C ATOM 1454 C ARG A 88 -2.784 5.014 -4.865 1.00 0.00 C ATOM 1455 O ARG A 88 -2.455 4.200 -4.004 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.168 4.388 -7.215 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.548 4.881 -8.526 1.00 0.00 C ATOM 1458 CD ARG A 88 -1.513 3.783 -9.599 1.00 0.00 C ATOM 1459 NE ARG A 88 -0.549 2.738 -9.225 1.00 0.00 N ATOM 1460 CZ ARG A 88 0.121 1.945 -10.072 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -0.113 1.988 -11.386 1.00 0.00 N ATOM 1462 NH2 ARG A 88 1.035 1.106 -9.586 1.00 0.00 N ATOM 0 H ARG A 88 -0.328 4.383 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.017 6.354 -6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.794 3.389 -6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.248 4.304 -7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.118 5.732 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.534 5.234 -8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.505 3.347 -9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.238 4.214 -10.562 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.374 2.604 -8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.811 2.632 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.406 1.377 -12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.216 1.074 -8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.554 0.496 -10.217 1.00 0.00 H new ATOM 1476 N PHE A 89 -3.949 5.662 -4.855 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.059 5.412 -3.953 1.00 0.00 C ATOM 1478 C PHE A 89 -6.291 5.335 -4.843 1.00 0.00 C ATOM 1479 O PHE A 89 -6.532 6.269 -5.607 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.170 6.563 -2.950 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.361 6.477 -2.018 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.240 5.821 -0.778 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.566 7.125 -2.352 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.298 5.862 0.146 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.619 7.173 -1.423 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.479 6.555 -0.169 1.00 0.00 C ATOM 0 H PHE A 89 -4.148 6.415 -5.514 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.936 4.496 -3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.259 6.595 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.223 7.503 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.333 5.286 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.681 7.585 -3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.203 5.361 1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.536 7.685 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.280 6.613 0.553 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.025 4.222 -4.811 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.144 3.967 -5.695 1.00 0.00 C ATOM 1498 C ASN A 90 -9.314 3.467 -4.862 1.00 0.00 C ATOM 1499 O ASN A 90 -9.116 2.747 -3.884 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.765 2.883 -6.706 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.498 3.188 -7.499 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.516 2.454 -7.422 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.500 4.267 -8.277 1.00 0.00 N ATOM 0 H ASN A 90 -6.848 3.462 -4.154 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.411 4.882 -6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.632 1.939 -6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.592 2.745 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.673 4.501 -8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.328 4.861 -8.324 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.533 3.815 -5.271 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.755 3.318 -4.666 1.00 0.00 C ATOM 1512 C GLY A 91 -12.827 4.405 -4.588 1.00 0.00 C ATOM 1513 O GLY A 91 -12.689 5.443 -5.241 1.00 0.00 O ATOM 0 H GLY A 91 -10.696 4.460 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.132 2.475 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.540 2.945 -3.664 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.888 4.190 -3.792 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.084 3.020 -2.945 1.00 0.00 C ATOM 1519 C PRO A 92 -14.223 1.745 -3.781 1.00 0.00 C ATOM 1520 O PRO A 92 -14.722 1.791 -4.903 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.350 3.308 -2.138 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.126 4.284 -3.023 1.00 0.00 C ATOM 1523 CD PRO A 92 -15.014 5.099 -3.683 1.00 0.00 C ATOM 0 HA PRO A 92 -13.229 2.847 -2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.920 2.399 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.116 3.746 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.738 3.763 -3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.797 4.914 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.322 5.464 -4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.758 5.973 -3.084 1.00 0.00 H new ATOM 1531 N VAL A 93 -13.757 0.615 -3.242 1.00 0.00 N ATOM 1532 CA VAL A 93 -13.847 -0.703 -3.861 1.00 0.00 C ATOM 1533 C VAL A 93 -14.141 -1.725 -2.760 1.00 0.00 C ATOM 1534 O VAL A 93 -13.524 -1.653 -1.700 1.00 0.00 O ATOM 1535 CB VAL A 93 -12.546 -1.079 -4.603 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -12.559 -0.568 -6.047 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -11.274 -0.604 -3.884 1.00 0.00 C ATOM 0 H VAL A 93 -13.293 0.596 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.645 -0.694 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.518 -2.169 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -11.629 -0.849 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.401 -1.008 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -12.656 0.518 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.398 -0.902 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.294 0.482 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.227 -1.054 -2.893 1.00 0.00 H new ATOM 1547 N PRO A 94 -15.067 -2.672 -2.975 1.00 0.00 N ATOM 1548 CA PRO A 94 -15.338 -3.720 -2.005 1.00 0.00 C ATOM 1549 C PRO A 94 -14.152 -4.692 -1.956 1.00 0.00 C ATOM 1550 O PRO A 94 -13.318 -4.697 -2.865 1.00 0.00 O ATOM 1551 CB PRO A 94 -16.609 -4.406 -2.520 1.00 0.00 C ATOM 1552 CG PRO A 94 -16.504 -4.239 -4.035 1.00 0.00 C ATOM 1553 CD PRO A 94 -15.848 -2.867 -4.186 1.00 0.00 C ATOM 0 HA PRO A 94 -15.474 -3.344 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -16.645 -5.457 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -17.509 -3.936 -2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.901 -5.026 -4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -17.483 -4.273 -4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -15.214 -2.831 -5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -16.598 -2.084 -4.299 1.00 0.00 H new ATOM 1561 N PRO A 95 -14.056 -5.535 -0.915 1.00 0.00 N ATOM 1562 CA PRO A 95 -13.051 -6.581 -0.867 1.00 0.00 C ATOM 1563 C PRO A 95 -13.379 -7.647 -1.923 1.00 0.00 C ATOM 1564 O PRO A 95 -14.546 -7.816 -2.279 1.00 0.00 O ATOM 1565 CB PRO A 95 -13.129 -7.143 0.555 1.00 0.00 C ATOM 1566 CG PRO A 95 -14.597 -6.930 0.929 1.00 0.00 C ATOM 1567 CD PRO A 95 -14.956 -5.621 0.225 1.00 0.00 C ATOM 0 HA PRO A 95 -12.045 -6.223 -1.086 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.853 -8.197 0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.459 -6.616 1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.222 -7.755 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.730 -6.855 2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.998 -5.621 -0.096 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.828 -4.768 0.892 1.00 0.00 H new ATOM 1575 N PRO A 96 -12.378 -8.381 -2.430 1.00 0.00 N ATOM 1576 CA PRO A 96 -12.601 -9.452 -3.389 1.00 0.00 C ATOM 1577 C PRO A 96 -13.366 -10.611 -2.740 1.00 0.00 C ATOM 1578 O PRO A 96 -14.141 -11.258 -3.477 1.00 0.00 O ATOM 1579 CB PRO A 96 -11.203 -9.875 -3.850 1.00 0.00 C ATOM 1580 CG PRO A 96 -10.321 -9.546 -2.645 1.00 0.00 C ATOM 1581 CD PRO A 96 -10.971 -8.283 -2.079 1.00 0.00 C ATOM 1582 OXT PRO A 96 -13.144 -10.848 -1.531 1.00 0.00 O ATOM 0 HA PRO A 96 -13.213 -9.132 -4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.165 -10.936 -4.099 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.890 -9.328 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.313 -10.357 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.286 -9.371 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.839 -8.224 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.522 -7.386 -2.505 1.00 0.00 H new TER 1590 PRO A 96