USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 27 GLN :FLIP amide:sc= 0.635 F(o=0.78,f=1.3) USER MOD Set 1.2: A 70 THR OG1 : rot -111:sc= 0.713 USER MOD Set 2.1: A 24 THR OG1 : rot -67:sc= 2.25 USER MOD Set 2.2: A 26 THR OG1 : rot -87:sc= 1.25 USER MOD Set 3.1: A 11 GLN : amide:sc= 0.973 K(o=2.1,f=-0.82) USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 0.0059 USER MOD Set 3.3: A 15 SER OG : rot 168:sc= 1.15 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -69:sc= 1.22 USER MOD Single : A 2 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.94) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.179 K(o=-0.18,f=-3.4!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00023) USER MOD Single : A 23 GLN : amide:sc= 2.14 K(o=2.1,f=-5.7!) USER MOD Single : A 30 TYR OH : rot -125:sc= 0.0134 USER MOD Single : A 31 SER OG : rot -160:sc= 1.26 USER MOD Single : A 40 SER OG : rot 100:sc= 0.479 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0825 (180deg=-0.483) USER MOD Single : A 47 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.27) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -170:sc= -1.74! USER MOD Single : A 52 SER OG : rot -170:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 60 THR OG1 : rot -68:sc= 1.3 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -1.01 K(o=-1,f=-3.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 76 SER OG : rot 104:sc= 2.04 USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= 1.16 (180deg=0.721) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.623 -4.234 -6.033 1.00 2.75 N ATOM 2 CA SER A 1 -9.455 -4.515 -5.180 1.00 2.38 C ATOM 3 C SER A 1 -8.625 -5.666 -5.728 1.00 1.65 C ATOM 4 O SER A 1 -8.790 -6.820 -5.319 1.00 1.91 O ATOM 5 CB SER A 1 -9.900 -4.821 -3.750 1.00 2.96 C ATOM 6 OG SER A 1 -10.280 -3.636 -3.073 1.00 3.75 O ATOM 0 H1 SER A 1 -11.166 -3.444 -5.629 1.00 2.75 H new ATOM 0 H2 SER A 1 -10.302 -3.980 -6.989 1.00 2.75 H new ATOM 0 H3 SER A 1 -11.227 -5.079 -6.084 1.00 2.75 H new ATOM 0 HA SER A 1 -8.828 -3.623 -5.176 1.00 2.38 H new ATOM 0 HB2 SER A 1 -10.737 -5.519 -3.767 1.00 2.96 H new ATOM 0 HB3 SER A 1 -9.089 -5.309 -3.209 1.00 2.96 H new ATOM 0 HG SER A 1 -9.487 -3.083 -2.910 1.00 3.75 H new ATOM 14 N GLN A 2 -7.749 -5.348 -6.673 1.00 1.37 N ATOM 15 CA GLN A 2 -6.726 -6.286 -7.107 1.00 0.95 C ATOM 16 C GLN A 2 -5.588 -6.232 -6.109 1.00 0.75 C ATOM 17 O GLN A 2 -4.736 -5.340 -6.159 1.00 0.86 O ATOM 18 CB GLN A 2 -6.230 -5.952 -8.514 1.00 1.47 C ATOM 19 CG GLN A 2 -7.274 -6.175 -9.591 1.00 2.07 C ATOM 20 CD GLN A 2 -7.680 -7.632 -9.716 1.00 2.71 C ATOM 21 OE1 GLN A 2 -6.899 -8.538 -9.423 1.00 3.23 O ATOM 22 NE2 GLN A 2 -8.901 -7.872 -10.159 1.00 3.34 N ATOM 0 H GLN A 2 -7.728 -4.448 -7.152 1.00 1.37 H new ATOM 0 HA GLN A 2 -7.143 -7.292 -7.148 1.00 0.95 H new ATOM 0 HB2 GLN A 2 -5.909 -4.911 -8.540 1.00 1.47 H new ATOM 0 HB3 GLN A 2 -5.354 -6.561 -8.736 1.00 1.47 H new ATOM 0 HG2 GLN A 2 -8.155 -5.574 -9.368 1.00 2.07 H new ATOM 0 HG3 GLN A 2 -6.884 -5.827 -10.548 1.00 2.07 H new ATOM 0 HE21 GLN A 2 -9.521 -7.096 -10.392 1.00 3.34 H new ATOM 0 HE22 GLN A 2 -9.224 -8.833 -10.268 1.00 3.34 H new ATOM 31 N GLU A 3 -5.588 -7.182 -5.200 1.00 0.57 N ATOM 32 CA GLU A 3 -4.736 -7.111 -4.031 1.00 0.47 C ATOM 33 C GLU A 3 -3.601 -8.115 -4.108 1.00 0.42 C ATOM 34 O GLU A 3 -3.600 -9.017 -4.949 1.00 0.50 O ATOM 35 CB GLU A 3 -5.555 -7.359 -2.766 1.00 0.58 C ATOM 36 CG GLU A 3 -6.736 -6.417 -2.608 1.00 0.70 C ATOM 37 CD GLU A 3 -7.498 -6.661 -1.326 1.00 1.26 C ATOM 38 OE1 GLU A 3 -8.098 -7.749 -1.184 1.00 1.35 O ATOM 39 OE2 GLU A 3 -7.509 -5.763 -0.459 1.00 1.99 O ATOM 0 H GLU A 3 -6.171 -8.017 -5.248 1.00 0.57 H new ATOM 0 HA GLU A 3 -4.305 -6.111 -3.997 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.920 -8.386 -2.776 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.904 -7.260 -1.897 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.381 -5.387 -2.626 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.409 -6.537 -3.457 1.00 0.70 H new ATOM 46 N TRP A 4 -2.648 -7.948 -3.210 1.00 0.36 N ATOM 47 CA TRP A 4 -1.495 -8.824 -3.124 1.00 0.38 C ATOM 48 C TRP A 4 -1.181 -9.075 -1.664 1.00 0.34 C ATOM 49 O TRP A 4 -1.646 -8.338 -0.795 1.00 0.34 O ATOM 50 CB TRP A 4 -0.277 -8.197 -3.811 1.00 0.45 C ATOM 51 CG TRP A 4 -0.470 -7.953 -5.276 1.00 0.57 C ATOM 52 CD1 TRP A 4 -0.365 -8.870 -6.281 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.801 -6.707 -5.903 1.00 0.51 C ATOM 54 NE1 TRP A 4 -0.614 -8.273 -7.493 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.885 -6.946 -7.287 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.039 -5.414 -5.428 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -1.191 -5.940 -8.199 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.344 -4.417 -6.333 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.418 -4.684 -7.707 1.00 0.65 C ATOM 0 H TRP A 4 -2.652 -7.199 -2.518 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.724 -9.762 -3.629 1.00 0.38 H new ATOM 0 HB2 TRP A 4 -0.042 -7.251 -3.322 1.00 0.45 H new ATOM 0 HB3 TRP A 4 0.584 -8.850 -3.671 1.00 0.45 H new ATOM 0 HD1 TRP A 4 -0.122 -9.913 -6.144 1.00 1.00 H new ATOM 0 HE1 TRP A 4 -0.599 -8.742 -8.399 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -0.985 -5.199 -4.371 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -1.247 -6.144 -9.258 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -1.529 -3.414 -5.976 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -1.659 -3.883 -8.390 1.00 0.65 H new ATOM 70 N THR A 5 -0.392 -10.098 -1.388 1.00 0.37 N ATOM 71 CA THR A 5 0.060 -10.336 -0.036 1.00 0.39 C ATOM 72 C THR A 5 1.436 -9.713 0.122 1.00 0.35 C ATOM 73 O THR A 5 2.447 -10.285 -0.292 1.00 0.44 O ATOM 74 CB THR A 5 0.107 -11.840 0.301 1.00 0.55 C ATOM 75 OG1 THR A 5 -1.202 -12.413 0.148 1.00 1.13 O ATOM 76 CG2 THR A 5 0.585 -12.063 1.729 1.00 1.11 C ATOM 0 H THR A 5 -0.055 -10.770 -2.078 1.00 0.37 H new ATOM 0 HA THR A 5 -0.647 -9.882 0.659 1.00 0.39 H new ATOM 0 HB THR A 5 0.807 -12.320 -0.383 1.00 0.55 H new ATOM 0 HG1 THR A 5 -1.168 -13.369 0.361 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.609 -13.132 1.942 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.585 -11.647 1.847 1.00 1.11 H new ATOM 0 HG23 THR A 5 -0.097 -11.570 2.422 1.00 1.11 H new ATOM 84 N LEU A 6 1.458 -8.524 0.699 1.00 0.30 N ATOM 85 CA LEU A 6 2.672 -7.735 0.779 1.00 0.34 C ATOM 86 C LEU A 6 3.475 -8.082 2.022 1.00 0.42 C ATOM 87 O LEU A 6 2.937 -8.597 3.005 1.00 0.75 O ATOM 88 CB LEU A 6 2.330 -6.243 0.776 1.00 0.42 C ATOM 89 CG LEU A 6 1.555 -5.759 -0.450 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.213 -4.286 -0.311 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.351 -5.999 -1.723 1.00 0.53 C ATOM 0 H LEU A 6 0.641 -8.082 1.122 1.00 0.30 H new ATOM 0 HA LEU A 6 3.283 -7.967 -0.094 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.746 -6.018 1.668 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.256 -5.673 0.849 1.00 0.42 H new ATOM 0 HG LEU A 6 0.628 -6.329 -0.515 1.00 0.47 H new ATOM 0 HD11 LEU A 6 0.661 -3.956 -1.191 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.600 -4.137 0.578 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.132 -3.706 -0.220 1.00 0.66 H new ATOM 0 HD21 LEU A 6 1.779 -5.647 -2.582 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.295 -5.458 -1.669 1.00 0.53 H new ATOM 0 HD23 LEU A 6 2.550 -7.065 -1.832 1.00 0.53 H new ATOM 103 N ASP A 7 4.763 -7.798 1.961 1.00 0.38 N ATOM 104 CA ASP A 7 5.662 -8.012 3.079 1.00 0.44 C ATOM 105 C ASP A 7 6.600 -6.823 3.187 1.00 0.39 C ATOM 106 O ASP A 7 7.589 -6.725 2.458 1.00 0.46 O ATOM 107 CB ASP A 7 6.466 -9.299 2.875 1.00 0.58 C ATOM 108 CG ASP A 7 7.284 -9.683 4.092 1.00 1.30 C ATOM 109 OD1 ASP A 7 8.429 -9.203 4.215 1.00 2.12 O ATOM 110 OD2 ASP A 7 6.779 -10.449 4.939 1.00 1.67 O ATOM 0 H ASP A 7 5.216 -7.412 1.133 1.00 0.38 H new ATOM 0 HA ASP A 7 5.085 -8.111 3.998 1.00 0.44 H new ATOM 0 HB2 ASP A 7 5.783 -10.113 2.631 1.00 0.58 H new ATOM 0 HB3 ASP A 7 7.132 -9.174 2.021 1.00 0.58 H new ATOM 115 N ILE A 8 6.270 -5.905 4.074 1.00 0.35 N ATOM 116 CA ILE A 8 7.026 -4.676 4.206 1.00 0.32 C ATOM 117 C ILE A 8 7.653 -4.571 5.591 1.00 0.30 C ATOM 118 O ILE A 8 6.950 -4.556 6.603 1.00 0.35 O ATOM 119 CB ILE A 8 6.138 -3.448 3.917 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.684 -3.483 2.453 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.880 -2.153 4.218 1.00 0.44 C ATOM 122 CD1 ILE A 8 4.781 -2.341 2.048 1.00 0.91 C ATOM 0 H ILE A 8 5.481 -5.988 4.715 1.00 0.35 H new ATOM 0 HA ILE A 8 7.828 -4.696 3.469 1.00 0.32 H new ATOM 0 HB ILE A 8 5.264 -3.484 4.567 1.00 0.37 H new ATOM 0 HG12 ILE A 8 6.566 -3.477 1.812 1.00 0.52 H new ATOM 0 HG13 ILE A 8 5.164 -4.423 2.270 1.00 0.52 H new ATOM 0 HG21 ILE A 8 6.231 -1.304 4.005 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.169 -2.135 5.269 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.773 -2.092 3.595 1.00 0.44 H new ATOM 0 HD11 ILE A 8 4.510 -2.447 0.998 1.00 0.91 H new ATOM 0 HD12 ILE A 8 3.879 -2.356 2.659 1.00 0.91 H new ATOM 0 HD13 ILE A 8 5.303 -1.395 2.195 1.00 0.91 H new ATOM 134 N PRO A 9 8.994 -4.529 5.628 1.00 0.26 N ATOM 135 CA PRO A 9 9.775 -4.458 6.871 1.00 0.26 C ATOM 136 C PRO A 9 9.461 -3.234 7.731 1.00 0.27 C ATOM 137 O PRO A 9 8.856 -2.262 7.275 1.00 0.32 O ATOM 138 CB PRO A 9 11.223 -4.384 6.379 1.00 0.29 C ATOM 139 CG PRO A 9 11.196 -4.960 5.011 1.00 0.35 C ATOM 140 CD PRO A 9 9.866 -4.575 4.439 1.00 0.29 C ATOM 0 HA PRO A 9 9.553 -5.310 7.514 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.583 -3.355 6.367 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.890 -4.948 7.031 1.00 0.29 H new ATOM 0 HG2 PRO A 9 12.012 -4.568 4.404 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.312 -6.043 5.039 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.908 -3.611 3.932 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.515 -5.304 3.709 1.00 0.29 H new ATOM 148 N ALA A 10 9.912 -3.292 8.977 1.00 0.30 N ATOM 149 CA ALA A 10 9.746 -2.194 9.925 1.00 0.33 C ATOM 150 C ALA A 10 11.111 -1.704 10.362 1.00 0.35 C ATOM 151 O ALA A 10 11.366 -1.452 11.539 1.00 0.43 O ATOM 152 CB ALA A 10 8.912 -2.635 11.121 1.00 0.41 C ATOM 0 H ALA A 10 10.403 -4.100 9.360 1.00 0.30 H new ATOM 0 HA ALA A 10 9.213 -1.375 9.441 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.801 -1.801 11.814 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.928 -2.957 10.780 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.409 -3.463 11.626 1.00 0.41 H new ATOM 158 N GLN A 11 11.995 -1.624 9.390 1.00 0.34 N ATOM 159 CA GLN A 11 13.334 -1.118 9.593 1.00 0.40 C ATOM 160 C GLN A 11 13.496 0.172 8.800 1.00 0.35 C ATOM 161 O GLN A 11 12.517 0.894 8.592 1.00 0.37 O ATOM 162 CB GLN A 11 14.355 -2.174 9.152 1.00 0.53 C ATOM 163 CG GLN A 11 14.187 -2.614 7.706 1.00 0.96 C ATOM 164 CD GLN A 11 15.176 -3.685 7.297 1.00 0.90 C ATOM 165 OE1 GLN A 11 16.282 -3.385 6.846 1.00 1.61 O ATOM 166 NE2 GLN A 11 14.786 -4.942 7.444 1.00 0.90 N ATOM 0 H GLN A 11 11.802 -1.911 8.430 1.00 0.34 H new ATOM 0 HA GLN A 11 13.505 -0.905 10.648 1.00 0.40 H new ATOM 0 HB2 GLN A 11 15.360 -1.775 9.287 1.00 0.53 H new ATOM 0 HB3 GLN A 11 14.268 -3.045 9.801 1.00 0.53 H new ATOM 0 HG2 GLN A 11 13.174 -2.988 7.561 1.00 0.96 H new ATOM 0 HG3 GLN A 11 14.304 -1.750 7.053 1.00 0.96 H new ATOM 0 HE21 GLN A 11 13.861 -5.148 7.822 1.00 0.90 H new ATOM 0 HE22 GLN A 11 15.410 -5.704 7.180 1.00 0.90 H new ATOM 175 N SER A 12 14.716 0.464 8.372 1.00 0.38 N ATOM 176 CA SER A 12 14.978 1.629 7.545 1.00 0.40 C ATOM 177 C SER A 12 14.068 1.653 6.313 1.00 0.36 C ATOM 178 O SER A 12 13.879 0.642 5.625 1.00 0.34 O ATOM 179 CB SER A 12 16.453 1.654 7.131 1.00 0.50 C ATOM 180 OG SER A 12 16.892 0.371 6.715 1.00 1.30 O ATOM 0 H SER A 12 15.542 -0.094 8.586 1.00 0.38 H new ATOM 0 HA SER A 12 14.760 2.522 8.131 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.594 2.369 6.321 1.00 0.50 H new ATOM 0 HB3 SER A 12 17.062 1.996 7.968 1.00 0.50 H new ATOM 0 HG SER A 12 17.836 0.417 6.455 1.00 1.30 H new ATOM 186 N MET A 13 13.484 2.830 6.092 1.00 0.42 N ATOM 187 CA MET A 13 12.583 3.109 4.971 1.00 0.46 C ATOM 188 C MET A 13 13.152 2.601 3.649 1.00 0.42 C ATOM 189 O MET A 13 12.406 2.247 2.734 1.00 0.45 O ATOM 190 CB MET A 13 12.366 4.622 4.883 1.00 0.61 C ATOM 191 CG MET A 13 11.098 5.042 4.165 1.00 0.68 C ATOM 192 SD MET A 13 9.612 4.659 5.113 1.00 1.29 S ATOM 193 CE MET A 13 8.413 5.699 4.283 1.00 1.00 C ATOM 0 H MET A 13 13.627 3.636 6.701 1.00 0.42 H new ATOM 0 HA MET A 13 11.640 2.591 5.148 1.00 0.46 H new ATOM 0 HB2 MET A 13 12.348 5.032 5.893 1.00 0.61 H new ATOM 0 HB3 MET A 13 13.220 5.068 4.374 1.00 0.61 H new ATOM 0 HG2 MET A 13 11.134 6.113 3.967 1.00 0.68 H new ATOM 0 HG3 MET A 13 11.048 4.541 3.198 1.00 0.68 H new ATOM 0 HE1 MET A 13 7.437 5.576 4.753 1.00 1.00 H new ATOM 0 HE2 MET A 13 8.723 6.741 4.357 1.00 1.00 H new ATOM 0 HE3 MET A 13 8.348 5.413 3.233 1.00 1.00 H new ATOM 203 N ASN A 14 14.479 2.584 3.569 1.00 0.41 N ATOM 204 CA ASN A 14 15.196 2.095 2.396 1.00 0.45 C ATOM 205 C ASN A 14 14.747 0.691 2.014 1.00 0.41 C ATOM 206 O ASN A 14 14.442 0.430 0.849 1.00 0.47 O ATOM 207 CB ASN A 14 16.709 2.082 2.654 1.00 0.52 C ATOM 208 CG ASN A 14 17.293 3.458 2.907 1.00 1.32 C ATOM 209 OD1 ASN A 14 16.630 4.349 3.438 1.00 2.26 O ATOM 210 ND2 ASN A 14 18.547 3.643 2.526 1.00 1.85 N ATOM 0 H ASN A 14 15.089 2.910 4.318 1.00 0.41 H new ATOM 0 HA ASN A 14 14.969 2.774 1.574 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.917 1.444 3.513 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.212 1.635 1.796 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.995 4.548 2.669 1.00 1.85 H new ATOM 0 HD22 ASN A 14 19.065 2.881 2.089 1.00 1.85 H new ATOM 217 N SER A 15 14.677 -0.204 2.998 1.00 0.36 N ATOM 218 CA SER A 15 14.384 -1.606 2.734 1.00 0.36 C ATOM 219 C SER A 15 12.902 -1.802 2.453 1.00 0.32 C ATOM 220 O SER A 15 12.526 -2.544 1.547 1.00 0.32 O ATOM 221 CB SER A 15 14.794 -2.462 3.934 1.00 0.38 C ATOM 222 OG SER A 15 16.088 -2.106 4.392 1.00 1.20 O ATOM 0 H SER A 15 14.819 0.019 3.983 1.00 0.36 H new ATOM 0 HA SER A 15 14.952 -1.914 1.856 1.00 0.36 H new ATOM 0 HB2 SER A 15 14.071 -2.335 4.740 1.00 0.38 H new ATOM 0 HB3 SER A 15 14.780 -3.516 3.656 1.00 0.38 H new ATOM 0 HG SER A 15 16.250 -2.516 5.267 1.00 1.20 H new ATOM 228 N ALA A 16 12.071 -1.125 3.234 1.00 0.31 N ATOM 229 CA ALA A 16 10.624 -1.251 3.119 1.00 0.32 C ATOM 230 C ALA A 16 10.130 -0.885 1.724 1.00 0.30 C ATOM 231 O ALA A 16 9.388 -1.645 1.099 1.00 0.29 O ATOM 232 CB ALA A 16 9.950 -0.370 4.149 1.00 0.38 C ATOM 0 H ALA A 16 12.378 -0.478 3.960 1.00 0.31 H new ATOM 0 HA ALA A 16 10.367 -2.295 3.298 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.868 -0.468 4.059 1.00 0.38 H new ATOM 0 HB2 ALA A 16 10.260 -0.676 5.148 1.00 0.38 H new ATOM 0 HB3 ALA A 16 10.236 0.669 3.982 1.00 0.38 H new ATOM 238 N LEU A 17 10.543 0.276 1.237 1.00 0.31 N ATOM 239 CA LEU A 17 10.112 0.742 -0.074 1.00 0.33 C ATOM 240 C LEU A 17 10.682 -0.148 -1.170 1.00 0.32 C ATOM 241 O LEU A 17 9.987 -0.496 -2.122 1.00 0.35 O ATOM 242 CB LEU A 17 10.529 2.199 -0.287 1.00 0.38 C ATOM 243 CG LEU A 17 9.913 3.192 0.700 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.386 4.604 0.404 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.392 3.117 0.657 1.00 0.73 C ATOM 0 H LEU A 17 11.173 0.911 1.727 1.00 0.31 H new ATOM 0 HA LEU A 17 9.024 0.687 -0.121 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.615 2.266 -0.218 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.255 2.497 -1.299 1.00 0.38 H new ATOM 0 HG LEU A 17 10.242 2.924 1.704 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.937 5.295 1.117 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.472 4.649 0.489 1.00 0.92 H new ATOM 0 HD13 LEU A 17 10.090 4.882 -0.607 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.972 3.831 1.366 1.00 0.73 H new ATOM 0 HD22 LEU A 17 8.044 3.356 -0.348 1.00 0.73 H new ATOM 0 HD23 LEU A 17 8.070 2.110 0.922 1.00 0.73 H new ATOM 257 N GLN A 18 11.933 -0.553 -1.004 1.00 0.34 N ATOM 258 CA GLN A 18 12.597 -1.400 -1.988 1.00 0.39 C ATOM 259 C GLN A 18 11.873 -2.744 -2.111 1.00 0.33 C ATOM 260 O GLN A 18 11.733 -3.294 -3.210 1.00 0.34 O ATOM 261 CB GLN A 18 14.057 -1.616 -1.580 1.00 0.49 C ATOM 262 CG GLN A 18 14.905 -2.272 -2.651 1.00 1.07 C ATOM 263 CD GLN A 18 16.336 -2.484 -2.206 1.00 1.51 C ATOM 264 OE1 GLN A 18 16.608 -2.682 -1.022 1.00 2.06 O ATOM 265 NE2 GLN A 18 17.263 -2.439 -3.148 1.00 2.19 N ATOM 0 H GLN A 18 12.509 -0.310 -0.198 1.00 0.34 H new ATOM 0 HA GLN A 18 12.568 -0.906 -2.959 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.498 -0.653 -1.321 1.00 0.49 H new ATOM 0 HB3 GLN A 18 14.085 -2.232 -0.681 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.465 -3.232 -2.921 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.894 -1.653 -3.548 1.00 1.07 H new ATOM 0 HE21 GLN A 18 16.996 -2.272 -4.118 1.00 2.19 H new ATOM 0 HE22 GLN A 18 18.245 -2.571 -2.904 1.00 2.19 H new ATOM 274 N ALA A 19 11.392 -3.252 -0.978 1.00 0.29 N ATOM 275 CA ALA A 19 10.634 -4.496 -0.951 1.00 0.28 C ATOM 276 C ALA A 19 9.294 -4.328 -1.659 1.00 0.26 C ATOM 277 O ALA A 19 8.871 -5.196 -2.426 1.00 0.28 O ATOM 278 CB ALA A 19 10.422 -4.959 0.484 1.00 0.31 C ATOM 0 H ALA A 19 11.516 -2.817 -0.064 1.00 0.29 H new ATOM 0 HA ALA A 19 11.208 -5.257 -1.481 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.854 -5.889 0.486 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.389 -5.123 0.960 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.871 -4.197 1.035 1.00 0.31 H new ATOM 284 N LEU A 20 8.647 -3.187 -1.431 1.00 0.27 N ATOM 285 CA LEU A 20 7.348 -2.900 -2.028 1.00 0.32 C ATOM 286 C LEU A 20 7.477 -2.804 -3.545 1.00 0.33 C ATOM 287 O LEU A 20 6.554 -3.152 -4.286 1.00 0.36 O ATOM 288 CB LEU A 20 6.787 -1.592 -1.461 1.00 0.38 C ATOM 289 CG LEU A 20 5.421 -1.169 -2.010 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.362 -2.213 -1.686 1.00 1.03 C ATOM 291 CD2 LEU A 20 5.022 0.185 -1.447 1.00 0.95 C ATOM 0 H LEU A 20 9.006 -2.443 -0.833 1.00 0.27 H new ATOM 0 HA LEU A 20 6.661 -3.711 -1.786 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.710 -1.689 -0.378 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.502 -0.794 -1.659 1.00 0.38 H new ATOM 0 HG LEU A 20 5.498 -1.087 -3.094 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.400 -1.892 -2.085 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.641 -3.166 -2.135 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.285 -2.330 -0.605 1.00 1.03 H new ATOM 0 HD21 LEU A 20 4.049 0.473 -1.846 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.965 0.125 -0.360 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.765 0.930 -1.731 1.00 0.95 H new ATOM 303 N ALA A 21 8.646 -2.346 -3.987 1.00 0.33 N ATOM 304 CA ALA A 21 8.915 -2.135 -5.399 1.00 0.39 C ATOM 305 C ALA A 21 8.812 -3.442 -6.174 1.00 0.38 C ATOM 306 O ALA A 21 8.083 -3.537 -7.156 1.00 0.44 O ATOM 307 CB ALA A 21 10.286 -1.504 -5.597 1.00 0.44 C ATOM 0 H ALA A 21 9.428 -2.113 -3.375 1.00 0.33 H new ATOM 0 HA ALA A 21 8.161 -1.450 -5.786 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.467 -1.355 -6.661 1.00 0.44 H new ATOM 0 HB2 ALA A 21 10.322 -0.543 -5.084 1.00 0.44 H new ATOM 0 HB3 ALA A 21 11.052 -2.162 -5.187 1.00 0.44 H new ATOM 313 N LYS A 22 9.551 -4.451 -5.722 1.00 0.36 N ATOM 314 CA LYS A 22 9.525 -5.761 -6.374 1.00 0.42 C ATOM 315 C LYS A 22 8.154 -6.417 -6.270 1.00 0.37 C ATOM 316 O LYS A 22 7.670 -7.010 -7.231 1.00 0.47 O ATOM 317 CB LYS A 22 10.579 -6.702 -5.791 1.00 0.53 C ATOM 318 CG LYS A 22 11.971 -6.506 -6.363 1.00 1.22 C ATOM 319 CD LYS A 22 12.650 -5.265 -5.819 1.00 1.84 C ATOM 320 CE LYS A 22 14.043 -5.111 -6.402 1.00 2.65 C ATOM 321 NZ LYS A 22 14.842 -4.100 -5.669 1.00 3.41 N ATOM 0 H LYS A 22 10.171 -4.390 -4.914 1.00 0.36 H new ATOM 0 HA LYS A 22 9.751 -5.583 -7.425 1.00 0.42 H new ATOM 0 HB2 LYS A 22 10.619 -6.561 -4.711 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.268 -7.732 -5.966 1.00 0.53 H new ATOM 0 HG2 LYS A 22 12.581 -7.380 -6.135 1.00 1.22 H new ATOM 0 HG3 LYS A 22 11.908 -6.436 -7.449 1.00 1.22 H new ATOM 0 HD2 LYS A 22 12.053 -4.385 -6.057 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.711 -5.325 -4.732 1.00 1.84 H new ATOM 0 HE2 LYS A 22 14.557 -6.072 -6.371 1.00 2.65 H new ATOM 0 HE3 LYS A 22 13.968 -4.823 -7.451 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 15.780 -4.013 -6.109 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 14.356 -3.181 -5.705 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 14.951 -4.396 -4.678 1.00 3.41 H new ATOM 335 N GLN A 23 7.525 -6.292 -5.111 1.00 0.33 N ATOM 336 CA GLN A 23 6.270 -6.986 -4.842 1.00 0.39 C ATOM 337 C GLN A 23 5.121 -6.479 -5.714 1.00 0.40 C ATOM 338 O GLN A 23 4.159 -7.207 -5.963 1.00 0.49 O ATOM 339 CB GLN A 23 5.921 -6.867 -3.360 1.00 0.52 C ATOM 340 CG GLN A 23 6.855 -7.672 -2.471 1.00 0.76 C ATOM 341 CD GLN A 23 6.674 -7.376 -0.998 1.00 0.78 C ATOM 342 OE1 GLN A 23 5.586 -7.021 -0.546 1.00 1.52 O ATOM 343 NE2 GLN A 23 7.744 -7.528 -0.237 1.00 1.29 N ATOM 0 H GLN A 23 7.862 -5.716 -4.339 1.00 0.33 H new ATOM 0 HA GLN A 23 6.412 -8.036 -5.098 1.00 0.39 H new ATOM 0 HB2 GLN A 23 5.959 -5.818 -3.065 1.00 0.52 H new ATOM 0 HB3 GLN A 23 4.897 -7.205 -3.204 1.00 0.52 H new ATOM 0 HG2 GLN A 23 6.687 -8.735 -2.645 1.00 0.76 H new ATOM 0 HG3 GLN A 23 7.887 -7.462 -2.754 1.00 0.76 H new ATOM 0 HE21 GLN A 23 8.627 -7.824 -0.652 1.00 1.29 H new ATOM 0 HE22 GLN A 23 7.686 -7.349 0.766 1.00 1.29 H new ATOM 352 N THR A 24 5.217 -5.246 -6.192 1.00 0.38 N ATOM 353 CA THR A 24 4.190 -4.699 -7.068 1.00 0.47 C ATOM 354 C THR A 24 4.724 -4.497 -8.486 1.00 0.48 C ATOM 355 O THR A 24 3.963 -4.248 -9.419 1.00 0.76 O ATOM 356 CB THR A 24 3.653 -3.360 -6.526 1.00 0.54 C ATOM 357 OG1 THR A 24 4.747 -2.482 -6.224 1.00 0.62 O ATOM 358 CG2 THR A 24 2.808 -3.577 -5.277 1.00 0.62 C ATOM 0 H THR A 24 5.989 -4.610 -5.990 1.00 0.38 H new ATOM 0 HA THR A 24 3.374 -5.422 -7.097 1.00 0.47 H new ATOM 0 HB THR A 24 3.024 -2.908 -7.293 1.00 0.54 H new ATOM 0 HG1 THR A 24 5.255 -2.841 -5.467 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.441 -2.617 -4.915 1.00 0.62 H new ATOM 0 HG22 THR A 24 1.962 -4.221 -5.517 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.415 -4.049 -4.504 1.00 0.62 H new ATOM 366 N ASP A 25 6.047 -4.632 -8.624 1.00 0.41 N ATOM 367 CA ASP A 25 6.748 -4.437 -9.895 1.00 0.49 C ATOM 368 C ASP A 25 6.572 -2.999 -10.381 1.00 0.49 C ATOM 369 O ASP A 25 6.447 -2.730 -11.575 1.00 0.72 O ATOM 370 CB ASP A 25 6.274 -5.442 -10.953 1.00 0.68 C ATOM 371 CG ASP A 25 7.196 -5.495 -12.156 1.00 1.29 C ATOM 372 OD1 ASP A 25 8.340 -5.980 -12.015 1.00 1.57 O ATOM 373 OD2 ASP A 25 6.779 -5.066 -13.251 1.00 2.11 O ATOM 0 H ASP A 25 6.664 -4.881 -7.851 1.00 0.41 H new ATOM 0 HA ASP A 25 7.810 -4.617 -9.731 1.00 0.49 H new ATOM 0 HB2 ASP A 25 6.209 -6.433 -10.505 1.00 0.68 H new ATOM 0 HB3 ASP A 25 5.269 -5.174 -11.280 1.00 0.68 H new ATOM 378 N THR A 26 6.569 -2.077 -9.431 1.00 0.34 N ATOM 379 CA THR A 26 6.412 -0.667 -9.733 1.00 0.40 C ATOM 380 C THR A 26 7.750 0.054 -9.623 1.00 0.38 C ATOM 381 O THR A 26 8.755 -0.533 -9.209 1.00 0.40 O ATOM 382 CB THR A 26 5.399 -0.009 -8.776 1.00 0.46 C ATOM 383 OG1 THR A 26 5.773 -0.268 -7.415 1.00 0.76 O ATOM 384 CG2 THR A 26 3.998 -0.533 -9.034 1.00 0.72 C ATOM 0 H THR A 26 6.674 -2.284 -8.438 1.00 0.34 H new ATOM 0 HA THR A 26 6.039 -0.585 -10.754 1.00 0.40 H new ATOM 0 HB THR A 26 5.405 1.066 -8.954 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.388 -1.122 -7.127 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.299 -0.055 -8.348 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.709 -0.309 -10.061 1.00 0.72 H new ATOM 0 HG23 THR A 26 3.979 -1.612 -8.879 1.00 0.72 H new ATOM 392 N GLN A 27 7.762 1.317 -10.007 1.00 0.41 N ATOM 393 CA GLN A 27 8.961 2.130 -9.921 1.00 0.44 C ATOM 394 C GLN A 27 8.798 3.152 -8.809 1.00 0.46 C ATOM 395 O GLN A 27 7.890 3.976 -8.851 1.00 0.47 O ATOM 396 CB GLN A 27 9.222 2.822 -11.260 1.00 0.50 C ATOM 397 CG GLN A 27 10.447 3.717 -11.264 1.00 1.05 C ATOM 398 CD GLN A 27 10.845 4.146 -12.662 1.00 1.67 C ATOM 399 OE1 GLN A 27 10.241 5.215 -13.152 1.00 2.39 O flip ATOM 400 NE2 GLN A 27 11.667 3.497 -13.308 1.00 2.31 N flip ATOM 0 H GLN A 27 6.949 1.805 -10.384 1.00 0.41 H new ATOM 0 HA GLN A 27 9.818 1.496 -9.694 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.337 2.063 -12.033 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.349 3.418 -11.526 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.249 4.601 -10.658 1.00 1.05 H new ATOM 0 HG3 GLN A 27 11.280 3.191 -10.798 1.00 1.05 H new ATOM 0 HE21 GLN A 27 12.110 2.678 -12.892 1.00 2.31 H new ATOM 0 HE22 GLN A 27 11.905 3.778 -14.259 1.00 2.31 H new ATOM 409 N LEU A 28 9.662 3.099 -7.814 1.00 0.51 N ATOM 410 CA LEU A 28 9.523 3.980 -6.667 1.00 0.55 C ATOM 411 C LEU A 28 10.588 5.063 -6.684 1.00 0.58 C ATOM 412 O LEU A 28 11.764 4.792 -6.918 1.00 0.71 O ATOM 413 CB LEU A 28 9.597 3.187 -5.360 1.00 0.69 C ATOM 414 CG LEU A 28 8.524 2.109 -5.192 1.00 0.78 C ATOM 415 CD1 LEU A 28 8.578 1.525 -3.797 1.00 1.51 C ATOM 416 CD2 LEU A 28 7.142 2.674 -5.472 1.00 1.30 C ATOM 0 H LEU A 28 10.459 2.464 -7.774 1.00 0.51 H new ATOM 0 HA LEU A 28 8.545 4.456 -6.729 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.577 2.715 -5.295 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.523 3.884 -4.526 1.00 0.69 H new ATOM 0 HG LEU A 28 8.723 1.316 -5.913 1.00 0.78 H new ATOM 0 HD11 LEU A 28 7.809 0.760 -3.693 1.00 1.51 H new ATOM 0 HD12 LEU A 28 9.558 1.080 -3.627 1.00 1.51 H new ATOM 0 HD13 LEU A 28 8.406 2.314 -3.065 1.00 1.51 H new ATOM 0 HD21 LEU A 28 6.396 1.889 -5.346 1.00 1.30 H new ATOM 0 HD22 LEU A 28 6.934 3.487 -4.777 1.00 1.30 H new ATOM 0 HD23 LEU A 28 7.103 3.051 -6.494 1.00 1.30 H new ATOM 428 N LEU A 29 10.162 6.289 -6.442 1.00 0.53 N ATOM 429 CA LEU A 29 11.064 7.425 -6.422 1.00 0.60 C ATOM 430 C LEU A 29 11.150 7.974 -5.001 1.00 0.63 C ATOM 431 O LEU A 29 10.184 8.540 -4.481 1.00 0.66 O ATOM 432 CB LEU A 29 10.562 8.507 -7.396 1.00 0.65 C ATOM 433 CG LEU A 29 11.619 9.485 -7.935 1.00 1.17 C ATOM 434 CD1 LEU A 29 12.150 10.395 -6.835 1.00 1.90 C ATOM 435 CD2 LEU A 29 12.758 8.721 -8.594 1.00 2.03 C ATOM 0 H LEU A 29 9.187 6.524 -6.255 1.00 0.53 H new ATOM 0 HA LEU A 29 12.059 7.113 -6.740 1.00 0.60 H new ATOM 0 HB2 LEU A 29 10.091 8.011 -8.245 1.00 0.65 H new ATOM 0 HB3 LEU A 29 9.786 9.085 -6.894 1.00 0.65 H new ATOM 0 HG LEU A 29 11.140 10.117 -8.683 1.00 1.17 H new ATOM 0 HD11 LEU A 29 12.895 11.073 -7.252 1.00 1.90 H new ATOM 0 HD12 LEU A 29 11.328 10.974 -6.413 1.00 1.90 H new ATOM 0 HD13 LEU A 29 12.607 9.790 -6.052 1.00 1.90 H new ATOM 0 HD21 LEU A 29 13.499 9.426 -8.971 1.00 2.03 H new ATOM 0 HD22 LEU A 29 13.224 8.061 -7.863 1.00 2.03 H new ATOM 0 HD23 LEU A 29 12.368 8.128 -9.421 1.00 2.03 H new ATOM 447 N TYR A 30 12.301 7.783 -4.370 1.00 0.65 N ATOM 448 CA TYR A 30 12.531 8.282 -3.025 1.00 0.72 C ATOM 449 C TYR A 30 14.015 8.552 -2.816 1.00 0.77 C ATOM 450 O TYR A 30 14.865 7.835 -3.344 1.00 0.82 O ATOM 451 CB TYR A 30 12.005 7.294 -1.972 1.00 0.72 C ATOM 452 CG TYR A 30 12.684 5.935 -1.975 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.302 4.942 -2.870 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.694 5.641 -1.063 1.00 0.80 C ATOM 455 CE1 TYR A 30 12.909 3.699 -2.859 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.307 4.401 -1.050 1.00 0.88 C ATOM 457 CZ TYR A 30 13.908 3.432 -1.947 1.00 0.83 C ATOM 458 OH TYR A 30 14.514 2.195 -1.931 1.00 0.96 O ATOM 0 H TYR A 30 13.093 7.283 -4.773 1.00 0.65 H new ATOM 0 HA TYR A 30 11.983 9.217 -2.906 1.00 0.72 H new ATOM 0 HB2 TYR A 30 12.123 7.741 -0.985 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.936 7.150 -2.131 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.519 5.144 -3.585 1.00 0.65 H new ATOM 0 HD2 TYR A 30 14.004 6.394 -0.354 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.601 2.940 -3.563 1.00 0.71 H new ATOM 0 HE2 TYR A 30 15.094 4.193 -0.341 1.00 0.88 H new ATOM 0 HH TYR A 30 14.454 1.813 -1.030 1.00 0.96 H new ATOM 468 N SER A 31 14.320 9.592 -2.061 1.00 0.85 N ATOM 469 CA SER A 31 15.698 9.991 -1.834 1.00 0.97 C ATOM 470 C SER A 31 16.105 9.703 -0.387 1.00 0.88 C ATOM 471 O SER A 31 15.557 10.284 0.551 1.00 0.85 O ATOM 472 CB SER A 31 15.855 11.477 -2.153 1.00 1.20 C ATOM 473 OG SER A 31 17.204 11.893 -2.050 1.00 1.78 O ATOM 0 H SER A 31 13.629 10.178 -1.593 1.00 0.85 H new ATOM 0 HA SER A 31 16.353 9.416 -2.489 1.00 0.97 H new ATOM 0 HB2 SER A 31 15.489 11.674 -3.161 1.00 1.20 H new ATOM 0 HB3 SER A 31 15.240 12.063 -1.470 1.00 1.20 H new ATOM 0 HG SER A 31 17.239 12.866 -1.940 1.00 1.78 H new ATOM 479 N PRO A 32 17.071 8.782 -0.206 1.00 0.96 N ATOM 480 CA PRO A 32 17.551 8.346 1.116 1.00 0.99 C ATOM 481 C PRO A 32 17.994 9.498 2.017 1.00 1.01 C ATOM 482 O PRO A 32 17.772 9.461 3.229 1.00 1.05 O ATOM 483 CB PRO A 32 18.744 7.445 0.787 1.00 1.23 C ATOM 484 CG PRO A 32 18.471 6.948 -0.588 1.00 1.37 C ATOM 485 CD PRO A 32 17.766 8.069 -1.298 1.00 1.12 C ATOM 0 HA PRO A 32 16.756 7.853 1.675 1.00 0.99 H new ATOM 0 HB2 PRO A 32 19.682 7.998 0.830 1.00 1.23 H new ATOM 0 HB3 PRO A 32 18.827 6.622 1.497 1.00 1.23 H new ATOM 0 HG2 PRO A 32 19.397 6.683 -1.099 1.00 1.37 H new ATOM 0 HG3 PRO A 32 17.853 6.051 -0.564 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.468 8.719 -1.819 1.00 1.12 H new ATOM 0 HD3 PRO A 32 17.065 7.694 -2.044 1.00 1.12 H new ATOM 493 N GLU A 33 18.618 10.513 1.435 1.00 1.09 N ATOM 494 CA GLU A 33 19.069 11.663 2.212 1.00 1.26 C ATOM 495 C GLU A 33 17.880 12.484 2.704 1.00 1.23 C ATOM 496 O GLU A 33 17.841 12.915 3.855 1.00 1.39 O ATOM 497 CB GLU A 33 20.000 12.557 1.385 1.00 1.48 C ATOM 498 CG GLU A 33 20.470 13.790 2.142 1.00 1.99 C ATOM 499 CD GLU A 33 21.222 14.774 1.272 1.00 2.43 C ATOM 500 OE1 GLU A 33 20.591 15.404 0.399 1.00 2.83 O ATOM 501 OE2 GLU A 33 22.455 14.901 1.439 1.00 2.96 O ATOM 0 H GLU A 33 18.823 10.566 0.437 1.00 1.09 H new ATOM 0 HA GLU A 33 19.620 11.281 3.071 1.00 1.26 H new ATOM 0 HB2 GLU A 33 20.868 11.977 1.073 1.00 1.48 H new ATOM 0 HB3 GLU A 33 19.483 12.870 0.478 1.00 1.48 H new ATOM 0 HG2 GLU A 33 19.607 14.290 2.581 1.00 1.99 H new ATOM 0 HG3 GLU A 33 21.112 13.479 2.966 1.00 1.99 H new ATOM 508 N ASP A 34 16.897 12.656 1.833 1.00 1.12 N ATOM 509 CA ASP A 34 15.794 13.574 2.089 1.00 1.23 C ATOM 510 C ASP A 34 14.726 12.946 2.977 1.00 1.17 C ATOM 511 O ASP A 34 13.775 13.619 3.378 1.00 1.38 O ATOM 512 CB ASP A 34 15.175 14.043 0.767 1.00 1.33 C ATOM 513 CG ASP A 34 16.146 14.843 -0.081 1.00 1.71 C ATOM 514 OD1 ASP A 34 16.250 16.072 0.115 1.00 2.14 O ATOM 515 OD2 ASP A 34 16.819 14.247 -0.948 1.00 2.22 O ATOM 0 H ASP A 34 16.840 12.170 0.938 1.00 1.12 H new ATOM 0 HA ASP A 34 16.200 14.434 2.621 1.00 1.23 H new ATOM 0 HB2 ASP A 34 14.834 13.176 0.202 1.00 1.33 H new ATOM 0 HB3 ASP A 34 14.296 14.652 0.978 1.00 1.33 H new ATOM 520 N ILE A 35 14.875 11.664 3.297 1.00 0.97 N ATOM 521 CA ILE A 35 13.923 10.999 4.180 1.00 0.97 C ATOM 522 C ILE A 35 14.466 10.918 5.602 1.00 1.02 C ATOM 523 O ILE A 35 13.751 10.538 6.526 1.00 1.09 O ATOM 524 CB ILE A 35 13.564 9.574 3.701 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.816 8.694 3.628 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.860 9.618 2.351 1.00 0.95 C ATOM 527 CD1 ILE A 35 14.535 7.262 3.230 1.00 0.82 C ATOM 0 H ILE A 35 15.635 11.072 2.963 1.00 0.97 H new ATOM 0 HA ILE A 35 13.017 11.605 4.159 1.00 0.97 H new ATOM 0 HB ILE A 35 12.880 9.136 4.428 1.00 0.88 H new ATOM 0 HG12 ILE A 35 15.513 9.130 2.913 1.00 0.78 H new ATOM 0 HG13 ILE A 35 15.310 8.701 4.599 1.00 0.78 H new ATOM 0 HG21 ILE A 35 12.617 8.604 2.034 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.943 10.201 2.438 1.00 0.95 H new ATOM 0 HG23 ILE A 35 13.516 10.081 1.614 1.00 0.95 H new ATOM 0 HD11 ILE A 35 15.470 6.702 3.200 1.00 0.82 H new ATOM 0 HD12 ILE A 35 13.863 6.807 3.958 1.00 0.82 H new ATOM 0 HD13 ILE A 35 14.069 7.243 2.245 1.00 0.82 H new ATOM 539 N GLY A 36 15.735 11.279 5.766 1.00 1.08 N ATOM 540 CA GLY A 36 16.354 11.280 7.083 1.00 1.25 C ATOM 541 C GLY A 36 16.478 9.891 7.682 1.00 1.17 C ATOM 542 O GLY A 36 16.620 9.742 8.898 1.00 1.40 O ATOM 0 H GLY A 36 16.350 11.573 5.007 1.00 1.08 H new ATOM 0 HA2 GLY A 36 17.345 11.729 7.012 1.00 1.25 H new ATOM 0 HA3 GLY A 36 15.767 11.908 7.754 1.00 1.25 H new ATOM 546 N GLY A 37 16.432 8.873 6.829 1.00 0.97 N ATOM 547 CA GLY A 37 16.512 7.503 7.299 1.00 0.96 C ATOM 548 C GLY A 37 15.362 7.133 8.217 1.00 0.88 C ATOM 549 O GLY A 37 15.577 6.707 9.355 1.00 1.05 O ATOM 0 H GLY A 37 16.340 8.973 5.818 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.520 6.829 6.443 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.455 7.358 7.827 1.00 0.96 H new ATOM 553 N LEU A 38 14.142 7.307 7.728 1.00 0.77 N ATOM 554 CA LEU A 38 12.945 6.950 8.484 1.00 0.83 C ATOM 555 C LEU A 38 12.851 5.443 8.675 1.00 0.66 C ATOM 556 O LEU A 38 13.538 4.679 7.999 1.00 0.67 O ATOM 557 CB LEU A 38 11.689 7.434 7.753 1.00 1.06 C ATOM 558 CG LEU A 38 11.480 8.946 7.725 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.293 9.297 6.843 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.266 9.477 9.132 1.00 1.20 C ATOM 0 H LEU A 38 13.952 7.696 6.804 1.00 0.77 H new ATOM 0 HA LEU A 38 13.014 7.432 9.459 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.727 7.072 6.726 1.00 1.06 H new ATOM 0 HB3 LEU A 38 10.819 6.974 8.221 1.00 1.06 H new ATOM 0 HG LEU A 38 12.374 9.413 7.310 1.00 1.05 H new ATOM 0 HD11 LEU A 38 10.155 10.378 6.832 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.477 8.944 5.828 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.395 8.821 7.236 1.00 1.72 H new ATOM 0 HD21 LEU A 38 11.119 10.556 9.095 1.00 1.20 H new ATOM 0 HD22 LEU A 38 10.386 9.005 9.569 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.140 9.251 9.743 1.00 1.20 H new ATOM 572 N ARG A 39 12.010 5.027 9.607 1.00 0.68 N ATOM 573 CA ARG A 39 11.664 3.624 9.745 1.00 0.59 C ATOM 574 C ARG A 39 10.195 3.448 9.439 1.00 0.52 C ATOM 575 O ARG A 39 9.366 4.269 9.833 1.00 0.62 O ATOM 576 CB ARG A 39 11.980 3.084 11.139 1.00 0.66 C ATOM 577 CG ARG A 39 11.363 3.880 12.278 1.00 0.76 C ATOM 578 CD ARG A 39 11.750 3.284 13.616 1.00 1.12 C ATOM 579 NE ARG A 39 11.075 3.934 14.737 1.00 2.00 N ATOM 580 CZ ARG A 39 11.423 3.748 16.009 1.00 2.70 C ATOM 581 NH1 ARG A 39 12.495 3.020 16.302 1.00 2.71 N ATOM 582 NH2 ARG A 39 10.720 4.310 16.983 1.00 3.77 N ATOM 0 H ARG A 39 11.554 5.643 10.280 1.00 0.68 H new ATOM 0 HA ARG A 39 12.269 3.054 9.040 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.632 2.053 11.203 1.00 0.66 H new ATOM 0 HB3 ARG A 39 13.062 3.064 11.271 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.695 4.917 12.226 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.278 3.888 12.177 1.00 0.76 H new ATOM 0 HD2 ARG A 39 11.510 2.221 13.619 1.00 1.12 H new ATOM 0 HD3 ARG A 39 12.829 3.367 13.748 1.00 1.12 H new ATOM 0 HE ARG A 39 10.297 4.562 14.535 1.00 2.00 H new ATOM 0 HH11 ARG A 39 13.050 2.605 15.553 1.00 2.71 H new ATOM 0 HH12 ARG A 39 12.763 2.876 17.276 1.00 2.71 H new ATOM 0 HH21 ARG A 39 9.909 4.887 16.759 1.00 3.77 H new ATOM 0 HH22 ARG A 39 10.990 4.165 17.956 1.00 3.77 H new ATOM 596 N SER A 40 9.883 2.391 8.727 1.00 0.45 N ATOM 597 CA SER A 40 8.534 2.157 8.273 1.00 0.50 C ATOM 598 C SER A 40 7.727 1.372 9.296 1.00 0.49 C ATOM 599 O SER A 40 8.281 0.673 10.151 1.00 0.48 O ATOM 600 CB SER A 40 8.585 1.396 6.957 1.00 0.56 C ATOM 601 OG SER A 40 9.513 0.328 7.042 1.00 0.50 O ATOM 0 H SER A 40 10.552 1.674 8.448 1.00 0.45 H new ATOM 0 HA SER A 40 8.040 3.119 8.136 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.595 1.009 6.715 1.00 0.56 H new ATOM 0 HB3 SER A 40 8.870 2.071 6.150 1.00 0.56 H new ATOM 0 HG SER A 40 9.032 -0.511 7.203 1.00 0.50 H new ATOM 607 N SER A 41 6.420 1.517 9.213 1.00 0.59 N ATOM 608 CA SER A 41 5.510 0.683 9.966 1.00 0.68 C ATOM 609 C SER A 41 5.179 -0.541 9.129 1.00 0.65 C ATOM 610 O SER A 41 4.718 -0.412 7.995 1.00 0.66 O ATOM 611 CB SER A 41 4.240 1.465 10.311 1.00 0.85 C ATOM 612 OG SER A 41 4.555 2.648 11.030 1.00 1.54 O ATOM 0 H SER A 41 5.962 2.213 8.624 1.00 0.59 H new ATOM 0 HA SER A 41 5.973 0.371 10.902 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.706 1.722 9.396 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.573 0.840 10.905 1.00 0.85 H new ATOM 0 HG SER A 41 3.730 3.133 11.239 1.00 1.54 H new ATOM 618 N ALA A 42 5.462 -1.718 9.677 1.00 0.69 N ATOM 619 CA ALA A 42 5.330 -2.966 8.939 1.00 0.72 C ATOM 620 C ALA A 42 3.925 -3.144 8.383 1.00 0.63 C ATOM 621 O ALA A 42 2.968 -3.341 9.133 1.00 0.66 O ATOM 622 CB ALA A 42 5.704 -4.144 9.822 1.00 0.84 C ATOM 0 H ALA A 42 5.787 -1.832 10.637 1.00 0.69 H new ATOM 0 HA ALA A 42 6.016 -2.925 8.093 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.600 -5.070 9.256 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.736 -4.036 10.155 1.00 0.84 H new ATOM 0 HB3 ALA A 42 5.044 -4.173 10.689 1.00 0.84 H new ATOM 628 N LEU A 43 3.811 -3.060 7.067 1.00 0.59 N ATOM 629 CA LEU A 43 2.541 -3.252 6.393 1.00 0.54 C ATOM 630 C LEU A 43 2.604 -4.544 5.591 1.00 0.45 C ATOM 631 O LEU A 43 3.025 -4.557 4.434 1.00 0.51 O ATOM 632 CB LEU A 43 2.232 -2.051 5.482 1.00 0.65 C ATOM 633 CG LEU A 43 0.751 -1.838 5.114 1.00 0.83 C ATOM 634 CD1 LEU A 43 0.247 -2.925 4.176 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.102 -1.784 6.372 1.00 1.42 C ATOM 0 H LEU A 43 4.591 -2.858 6.442 1.00 0.59 H new ATOM 0 HA LEU A 43 1.738 -3.324 7.127 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.597 -1.148 5.971 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.801 -2.166 4.559 1.00 0.65 H new ATOM 0 HG LEU A 43 0.670 -0.886 4.590 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -0.801 -2.743 3.938 1.00 1.42 H new ATOM 0 HD12 LEU A 43 0.835 -2.915 3.258 1.00 1.42 H new ATOM 0 HD13 LEU A 43 0.345 -3.897 4.659 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.146 -1.633 6.097 1.00 1.42 H new ATOM 0 HD22 LEU A 43 -0.003 -2.721 6.920 1.00 1.42 H new ATOM 0 HD23 LEU A 43 0.230 -0.959 7.002 1.00 1.42 H new ATOM 647 N LYS A 44 2.208 -5.631 6.224 1.00 0.43 N ATOM 648 CA LYS A 44 2.242 -6.936 5.591 1.00 0.43 C ATOM 649 C LYS A 44 0.862 -7.583 5.641 1.00 0.41 C ATOM 650 O LYS A 44 0.411 -8.063 6.682 1.00 0.50 O ATOM 651 CB LYS A 44 3.303 -7.822 6.253 1.00 0.61 C ATOM 652 CG LYS A 44 3.205 -7.867 7.768 1.00 0.88 C ATOM 653 CD LYS A 44 4.270 -8.762 8.373 1.00 1.15 C ATOM 654 CE LYS A 44 4.112 -8.857 9.880 1.00 1.77 C ATOM 655 NZ LYS A 44 2.777 -9.388 10.262 1.00 2.43 N ATOM 0 H LYS A 44 1.857 -5.636 7.182 1.00 0.43 H new ATOM 0 HA LYS A 44 2.517 -6.816 4.543 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.212 -8.835 5.862 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.292 -7.460 5.973 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.306 -6.859 8.169 1.00 0.88 H new ATOM 0 HG3 LYS A 44 2.218 -8.228 8.058 1.00 0.88 H new ATOM 0 HD2 LYS A 44 4.205 -9.758 7.934 1.00 1.15 H new ATOM 0 HD3 LYS A 44 5.258 -8.371 8.132 1.00 1.15 H new ATOM 0 HE2 LYS A 44 4.890 -9.503 10.287 1.00 1.77 H new ATOM 0 HE3 LYS A 44 4.252 -7.871 10.323 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 2.810 -9.739 11.240 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 2.068 -8.630 10.190 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 2.517 -10.166 9.623 1.00 2.43 H new ATOM 669 N GLY A 45 0.195 -7.577 4.504 1.00 0.37 N ATOM 670 CA GLY A 45 -1.154 -8.085 4.426 1.00 0.37 C ATOM 671 C GLY A 45 -1.687 -7.991 3.020 1.00 0.33 C ATOM 672 O GLY A 45 -0.921 -7.764 2.084 1.00 0.34 O ATOM 0 H GLY A 45 0.568 -7.225 3.622 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -1.175 -9.123 4.758 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.798 -7.521 5.101 1.00 0.37 H new ATOM 676 N ARG A 46 -2.990 -8.148 2.859 1.00 0.35 N ATOM 677 CA ARG A 46 -3.587 -8.113 1.536 1.00 0.36 C ATOM 678 C ARG A 46 -4.361 -6.819 1.332 1.00 0.34 C ATOM 679 O ARG A 46 -5.384 -6.600 1.975 1.00 0.48 O ATOM 680 CB ARG A 46 -4.524 -9.299 1.326 1.00 0.49 C ATOM 681 CG ARG A 46 -4.764 -9.608 -0.141 1.00 0.97 C ATOM 682 CD ARG A 46 -5.944 -10.540 -0.334 1.00 1.13 C ATOM 683 NE ARG A 46 -5.895 -11.213 -1.631 1.00 1.77 N ATOM 684 CZ ARG A 46 -6.841 -11.127 -2.563 1.00 2.26 C ATOM 685 NH1 ARG A 46 -7.841 -10.260 -2.438 1.00 2.15 N ATOM 686 NH2 ARG A 46 -6.763 -11.891 -3.645 1.00 3.27 N ATOM 0 H ARG A 46 -3.650 -8.300 3.622 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.777 -8.169 0.808 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -4.104 -10.179 1.814 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -5.479 -9.092 1.810 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -4.942 -8.680 -0.684 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -3.869 -10.061 -0.568 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.954 -11.284 0.462 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -6.872 -9.974 -0.253 1.00 1.13 H new ATOM 0 HE ARG A 46 -5.078 -11.789 -1.836 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -7.889 -9.651 -1.621 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -8.560 -10.203 -3.159 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -5.982 -12.538 -3.757 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -7.484 -11.832 -4.364 1.00 3.27 H new ATOM 700 N HIS A 47 -3.863 -5.960 0.453 1.00 0.32 N ATOM 701 CA HIS A 47 -4.556 -4.723 0.106 1.00 0.45 C ATOM 702 C HIS A 47 -4.153 -4.259 -1.283 1.00 0.43 C ATOM 703 O HIS A 47 -3.254 -4.837 -1.899 1.00 0.46 O ATOM 704 CB HIS A 47 -4.274 -3.606 1.121 1.00 0.68 C ATOM 705 CG HIS A 47 -5.134 -3.666 2.347 1.00 1.01 C ATOM 706 ND1 HIS A 47 -6.505 -3.514 2.312 1.00 1.79 N ATOM 707 CD2 HIS A 47 -4.814 -3.865 3.648 1.00 1.21 C ATOM 708 CE1 HIS A 47 -6.989 -3.616 3.536 1.00 1.98 C ATOM 709 NE2 HIS A 47 -5.985 -3.829 4.366 1.00 1.57 N ATOM 0 H HIS A 47 -2.978 -6.096 -0.036 1.00 0.32 H new ATOM 0 HA HIS A 47 -5.625 -4.938 0.124 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -3.227 -3.657 1.421 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -4.419 -2.642 0.634 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -3.823 -4.023 4.047 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -8.030 -3.538 3.812 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -6.065 -3.948 5.376 1.00 1.57 H new ATOM 718 N ASP A 48 -4.826 -3.221 -1.768 1.00 0.47 N ATOM 719 CA ASP A 48 -4.507 -2.632 -3.062 1.00 0.55 C ATOM 720 C ASP A 48 -3.209 -1.849 -2.993 1.00 0.48 C ATOM 721 O ASP A 48 -2.693 -1.586 -1.903 1.00 0.44 O ATOM 722 CB ASP A 48 -5.621 -1.692 -3.533 1.00 0.70 C ATOM 723 CG ASP A 48 -6.882 -2.415 -3.935 1.00 1.20 C ATOM 724 OD1 ASP A 48 -6.990 -2.807 -5.119 1.00 1.80 O ATOM 725 OD2 ASP A 48 -7.782 -2.571 -3.079 1.00 1.86 O ATOM 0 H ASP A 48 -5.600 -2.769 -1.281 1.00 0.47 H new ATOM 0 HA ASP A 48 -4.404 -3.454 -3.771 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -5.854 -0.987 -2.735 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.260 -1.108 -4.379 1.00 0.70 H new ATOM 730 N LEU A 49 -2.693 -1.460 -4.149 1.00 0.50 N ATOM 731 CA LEU A 49 -1.456 -0.698 -4.214 1.00 0.51 C ATOM 732 C LEU A 49 -1.617 0.633 -3.478 1.00 0.42 C ATOM 733 O LEU A 49 -0.908 0.906 -2.504 1.00 0.43 O ATOM 734 CB LEU A 49 -1.057 -0.484 -5.683 1.00 0.61 C ATOM 735 CG LEU A 49 0.357 0.062 -5.923 1.00 0.73 C ATOM 736 CD1 LEU A 49 0.857 -0.372 -7.290 1.00 1.16 C ATOM 737 CD2 LEU A 49 0.383 1.582 -5.823 1.00 1.18 C ATOM 0 H LEU A 49 -3.113 -1.660 -5.057 1.00 0.50 H new ATOM 0 HA LEU A 49 -0.658 -1.254 -3.722 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -1.152 -1.435 -6.207 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.772 0.202 -6.137 1.00 0.61 H new ATOM 0 HG LEU A 49 1.012 -0.343 -5.151 1.00 0.73 H new ATOM 0 HD11 LEU A 49 1.861 0.020 -7.451 1.00 1.16 H new ATOM 0 HD12 LEU A 49 0.880 -1.461 -7.340 1.00 1.16 H new ATOM 0 HD13 LEU A 49 0.189 0.013 -8.061 1.00 1.16 H new ATOM 0 HD21 LEU A 49 1.397 1.941 -5.997 1.00 1.18 H new ATOM 0 HD22 LEU A 49 -0.286 2.007 -6.571 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.056 1.887 -4.829 1.00 1.18 H new ATOM 749 N GLN A 50 -2.567 1.449 -3.930 1.00 0.41 N ATOM 750 CA GLN A 50 -2.815 2.745 -3.308 1.00 0.42 C ATOM 751 C GLN A 50 -3.325 2.592 -1.878 1.00 0.39 C ATOM 752 O GLN A 50 -3.075 3.450 -1.031 1.00 0.41 O ATOM 753 CB GLN A 50 -3.794 3.582 -4.134 1.00 0.52 C ATOM 754 CG GLN A 50 -3.188 4.123 -5.421 1.00 1.21 C ATOM 755 CD GLN A 50 -4.075 5.153 -6.095 1.00 1.67 C ATOM 756 OE1 GLN A 50 -3.969 6.349 -5.822 1.00 2.15 O ATOM 757 NE2 GLN A 50 -4.940 4.699 -6.986 1.00 2.39 N ATOM 0 H GLN A 50 -3.174 1.236 -4.721 1.00 0.41 H new ATOM 0 HA GLN A 50 -1.860 3.270 -3.273 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -4.665 2.974 -4.379 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.148 4.416 -3.529 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -2.219 4.571 -5.202 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -3.009 3.297 -6.109 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -4.994 3.699 -7.181 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -5.553 5.348 -7.478 1.00 2.39 H new ATOM 766 N SER A 51 -4.038 1.503 -1.611 1.00 0.41 N ATOM 767 CA SER A 51 -4.533 1.229 -0.268 1.00 0.46 C ATOM 768 C SER A 51 -3.374 1.024 0.701 1.00 0.41 C ATOM 769 O SER A 51 -3.378 1.563 1.810 1.00 0.43 O ATOM 770 CB SER A 51 -5.438 -0.001 -0.277 1.00 0.57 C ATOM 771 OG SER A 51 -6.547 0.194 -1.134 1.00 1.33 O ATOM 0 H SER A 51 -4.285 0.798 -2.305 1.00 0.41 H new ATOM 0 HA SER A 51 -5.113 2.089 0.066 1.00 0.46 H new ATOM 0 HB2 SER A 51 -4.870 -0.873 -0.603 1.00 0.57 H new ATOM 0 HB3 SER A 51 -5.787 -0.208 0.735 1.00 0.57 H new ATOM 0 HG SER A 51 -7.191 -0.533 -1.006 1.00 1.33 H new ATOM 777 N SER A 52 -2.389 0.242 0.275 1.00 0.40 N ATOM 778 CA SER A 52 -1.191 0.018 1.065 1.00 0.43 C ATOM 779 C SER A 52 -0.480 1.342 1.324 1.00 0.41 C ATOM 780 O SER A 52 -0.111 1.650 2.459 1.00 0.45 O ATOM 781 CB SER A 52 -0.255 -0.959 0.343 1.00 0.49 C ATOM 782 OG SER A 52 0.888 -1.251 1.127 1.00 1.21 O ATOM 0 H SER A 52 -2.400 -0.249 -0.619 1.00 0.40 H new ATOM 0 HA SER A 52 -1.476 -0.419 2.022 1.00 0.43 H new ATOM 0 HB2 SER A 52 -0.791 -1.882 0.120 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.055 -0.532 -0.611 1.00 0.49 H new ATOM 0 HG SER A 52 1.538 -1.745 0.586 1.00 1.21 H new ATOM 788 N LEU A 53 -0.324 2.134 0.265 1.00 0.39 N ATOM 789 CA LEU A 53 0.322 3.439 0.361 1.00 0.41 C ATOM 790 C LEU A 53 -0.400 4.338 1.356 1.00 0.40 C ATOM 791 O LEU A 53 0.232 5.059 2.118 1.00 0.46 O ATOM 792 CB LEU A 53 0.356 4.115 -1.011 1.00 0.44 C ATOM 793 CG LEU A 53 1.158 3.382 -2.090 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.019 4.089 -3.426 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.623 3.285 -1.697 1.00 0.56 C ATOM 0 H LEU A 53 -0.639 1.892 -0.674 1.00 0.39 H new ATOM 0 HA LEU A 53 1.341 3.282 0.713 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.669 4.234 -1.363 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.771 5.116 -0.893 1.00 0.44 H new ATOM 0 HG LEU A 53 0.758 2.372 -2.185 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.595 3.555 -4.182 1.00 0.70 H new ATOM 0 HD12 LEU A 53 -0.031 4.111 -3.718 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.393 5.109 -3.338 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.175 2.761 -2.477 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.034 4.287 -1.573 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.713 2.737 -0.759 1.00 0.56 H new ATOM 807 N ARG A 54 -1.728 4.281 1.348 1.00 0.38 N ATOM 808 CA ARG A 54 -2.537 5.116 2.231 1.00 0.43 C ATOM 809 C ARG A 54 -2.294 4.766 3.700 1.00 0.42 C ATOM 810 O ARG A 54 -2.087 5.652 4.532 1.00 0.48 O ATOM 811 CB ARG A 54 -4.021 4.961 1.890 1.00 0.51 C ATOM 812 CG ARG A 54 -4.940 5.835 2.729 1.00 1.10 C ATOM 813 CD ARG A 54 -6.399 5.606 2.370 1.00 1.31 C ATOM 814 NE ARG A 54 -6.670 5.894 0.962 1.00 1.87 N ATOM 815 CZ ARG A 54 -7.649 5.326 0.258 1.00 2.48 C ATOM 816 NH1 ARG A 54 -8.465 4.448 0.824 1.00 2.70 N ATOM 817 NH2 ARG A 54 -7.815 5.646 -1.014 1.00 3.38 N ATOM 0 H ARG A 54 -2.268 3.665 0.740 1.00 0.38 H new ATOM 0 HA ARG A 54 -2.242 6.154 2.078 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -4.169 5.201 0.837 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.307 3.918 2.022 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.785 5.619 3.786 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -4.686 6.884 2.577 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -6.667 4.572 2.586 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -7.030 6.237 2.997 1.00 1.31 H new ATOM 0 HE ARG A 54 -6.072 6.572 0.489 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -8.347 4.202 1.807 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -9.211 4.019 0.277 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -7.195 6.326 -1.454 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -8.563 5.213 -1.555 1.00 3.38 H new ATOM 831 N ILE A 55 -2.306 3.474 4.011 1.00 0.42 N ATOM 832 CA ILE A 55 -2.122 3.018 5.386 1.00 0.47 C ATOM 833 C ILE A 55 -0.678 3.231 5.838 1.00 0.49 C ATOM 834 O ILE A 55 -0.409 3.474 7.017 1.00 0.59 O ATOM 835 CB ILE A 55 -2.497 1.525 5.540 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.917 1.274 5.018 1.00 0.59 C ATOM 837 CG2 ILE A 55 -2.389 1.097 6.998 1.00 0.66 C ATOM 838 CD1 ILE A 55 -4.345 -0.179 5.078 1.00 1.24 C ATOM 0 H ILE A 55 -2.441 2.725 3.332 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.787 3.610 6.016 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.798 0.932 4.950 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.618 1.874 5.598 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.981 1.619 3.986 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.656 0.044 7.089 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -1.366 1.243 7.345 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -3.067 1.697 7.605 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -5.360 -0.276 4.692 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -3.668 -0.783 4.474 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -4.316 -0.525 6.111 1.00 1.24 H new ATOM 850 N LEU A 56 0.248 3.141 4.894 1.00 0.45 N ATOM 851 CA LEU A 56 1.658 3.353 5.184 1.00 0.52 C ATOM 852 C LEU A 56 1.935 4.849 5.336 1.00 0.53 C ATOM 853 O LEU A 56 2.776 5.257 6.138 1.00 0.65 O ATOM 854 CB LEU A 56 2.512 2.740 4.061 1.00 0.57 C ATOM 855 CG LEU A 56 3.974 2.422 4.415 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.553 1.429 3.420 1.00 1.04 C ATOM 857 CD2 LEU A 56 4.828 3.682 4.430 1.00 1.63 C ATOM 0 H LEU A 56 0.047 2.922 3.918 1.00 0.45 H new ATOM 0 HA LEU A 56 1.921 2.863 6.121 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.032 1.819 3.730 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.506 3.425 3.213 1.00 0.57 H new ATOM 0 HG LEU A 56 3.984 1.986 5.414 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.589 1.213 3.682 1.00 1.04 H new ATOM 0 HD12 LEU A 56 3.972 0.507 3.446 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.514 1.854 2.417 1.00 1.04 H new ATOM 0 HD21 LEU A 56 5.856 3.422 4.684 1.00 1.63 H new ATOM 0 HD22 LEU A 56 4.804 4.149 3.446 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.436 4.378 5.172 1.00 1.63 H new ATOM 869 N LEU A 57 1.209 5.659 4.571 1.00 0.51 N ATOM 870 CA LEU A 57 1.382 7.106 4.597 1.00 0.63 C ATOM 871 C LEU A 57 1.009 7.668 5.964 1.00 0.72 C ATOM 872 O LEU A 57 1.707 8.528 6.502 1.00 1.16 O ATOM 873 CB LEU A 57 0.521 7.767 3.521 1.00 0.80 C ATOM 874 CG LEU A 57 0.912 9.202 3.178 1.00 1.29 C ATOM 875 CD1 LEU A 57 2.227 9.216 2.412 1.00 1.68 C ATOM 876 CD2 LEU A 57 -0.187 9.879 2.375 1.00 2.17 C ATOM 0 H LEU A 57 0.492 5.334 3.922 1.00 0.51 H new ATOM 0 HA LEU A 57 2.432 7.323 4.399 1.00 0.63 H new ATOM 0 HB2 LEU A 57 0.573 7.165 2.614 1.00 0.80 H new ATOM 0 HB3 LEU A 57 -0.518 7.758 3.851 1.00 0.80 H new ATOM 0 HG LEU A 57 1.044 9.760 4.105 1.00 1.29 H new ATOM 0 HD11 LEU A 57 2.497 10.244 2.172 1.00 1.68 H new ATOM 0 HD12 LEU A 57 3.010 8.769 3.025 1.00 1.68 H new ATOM 0 HD13 LEU A 57 2.117 8.645 1.490 1.00 1.68 H new ATOM 0 HD21 LEU A 57 0.111 10.901 2.140 1.00 2.17 H new ATOM 0 HD22 LEU A 57 -0.353 9.328 1.449 1.00 2.17 H new ATOM 0 HD23 LEU A 57 -1.107 9.894 2.959 1.00 2.17 H new ATOM 888 N GLN A 58 -0.118 7.196 6.493 1.00 0.61 N ATOM 889 CA GLN A 58 -0.574 7.569 7.827 1.00 0.79 C ATOM 890 C GLN A 58 0.559 7.482 8.848 1.00 1.05 C ATOM 891 O GLN A 58 1.028 6.394 9.184 1.00 2.03 O ATOM 892 CB GLN A 58 -1.737 6.670 8.255 1.00 0.90 C ATOM 893 CG GLN A 58 -2.208 6.915 9.680 1.00 1.29 C ATOM 894 CD GLN A 58 -3.419 6.084 10.055 1.00 1.60 C ATOM 895 OE1 GLN A 58 -4.260 5.767 9.214 1.00 2.30 O ATOM 896 NE2 GLN A 58 -3.515 5.726 11.323 1.00 1.85 N ATOM 0 H GLN A 58 -0.738 6.546 6.009 1.00 0.61 H new ATOM 0 HA GLN A 58 -0.913 8.604 7.789 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -2.574 6.825 7.574 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.434 5.628 8.156 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -1.394 6.692 10.369 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -2.448 7.971 9.801 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -2.796 6.009 11.989 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -4.308 5.166 11.636 1.00 1.85 H new ATOM 905 N GLY A 59 1.008 8.638 9.320 1.00 0.97 N ATOM 906 CA GLY A 59 2.048 8.677 10.326 1.00 1.28 C ATOM 907 C GLY A 59 3.343 9.278 9.819 1.00 1.13 C ATOM 908 O GLY A 59 4.162 9.744 10.613 1.00 1.42 O ATOM 0 H GLY A 59 0.668 9.552 9.022 1.00 0.97 H new ATOM 0 HA2 GLY A 59 1.697 9.255 11.181 1.00 1.28 H new ATOM 0 HA3 GLY A 59 2.239 7.665 10.682 1.00 1.28 H new ATOM 912 N THR A 60 3.533 9.291 8.504 1.00 0.95 N ATOM 913 CA THR A 60 4.791 9.762 7.929 1.00 0.99 C ATOM 914 C THR A 60 4.734 11.240 7.545 1.00 1.06 C ATOM 915 O THR A 60 5.763 11.853 7.258 1.00 1.25 O ATOM 916 CB THR A 60 5.194 8.941 6.687 1.00 1.04 C ATOM 917 OG1 THR A 60 4.173 9.023 5.685 1.00 0.99 O ATOM 918 CG2 THR A 60 5.438 7.486 7.052 1.00 1.21 C ATOM 0 H THR A 60 2.841 8.984 7.821 1.00 0.95 H new ATOM 0 HA THR A 60 5.541 9.630 8.709 1.00 0.99 H new ATOM 0 HB THR A 60 6.120 9.360 6.293 1.00 1.04 H new ATOM 0 HG1 THR A 60 3.370 8.556 5.997 1.00 0.99 H new ATOM 0 HG21 THR A 60 5.721 6.929 6.159 1.00 1.21 H new ATOM 0 HG22 THR A 60 6.241 7.425 7.787 1.00 1.21 H new ATOM 0 HG23 THR A 60 4.528 7.059 7.473 1.00 1.21 H new ATOM 926 N GLY A 61 3.531 11.816 7.568 1.00 1.08 N ATOM 927 CA GLY A 61 3.349 13.206 7.171 1.00 1.32 C ATOM 928 C GLY A 61 3.776 13.501 5.741 1.00 1.26 C ATOM 929 O GLY A 61 3.969 14.663 5.377 1.00 1.35 O ATOM 0 H GLY A 61 2.675 11.342 7.856 1.00 1.08 H new ATOM 0 HA2 GLY A 61 2.299 13.472 7.288 1.00 1.32 H new ATOM 0 HA3 GLY A 61 3.917 13.844 7.848 1.00 1.32 H new ATOM 933 N LEU A 62 3.916 12.464 4.927 1.00 1.16 N ATOM 934 CA LEU A 62 4.383 12.626 3.559 1.00 1.11 C ATOM 935 C LEU A 62 3.224 12.539 2.577 1.00 1.07 C ATOM 936 O LEU A 62 2.083 12.315 2.974 1.00 1.14 O ATOM 937 CB LEU A 62 5.427 11.553 3.240 1.00 1.10 C ATOM 938 CG LEU A 62 6.726 11.655 4.045 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.623 10.457 3.778 1.00 1.23 C ATOM 940 CD2 LEU A 62 7.455 12.946 3.712 1.00 1.28 C ATOM 0 H LEU A 62 3.712 11.500 5.192 1.00 1.16 H new ATOM 0 HA LEU A 62 4.837 13.612 3.461 1.00 1.11 H new ATOM 0 HB2 LEU A 62 4.984 10.573 3.416 1.00 1.10 H new ATOM 0 HB3 LEU A 62 5.670 11.607 2.179 1.00 1.10 H new ATOM 0 HG LEU A 62 6.471 11.661 5.105 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.539 10.552 4.361 1.00 1.23 H new ATOM 0 HD12 LEU A 62 7.104 9.543 4.065 1.00 1.23 H new ATOM 0 HD13 LEU A 62 7.870 10.417 2.717 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.376 13.004 4.292 1.00 1.28 H new ATOM 0 HD22 LEU A 62 7.694 12.965 2.649 1.00 1.28 H new ATOM 0 HD23 LEU A 62 6.819 13.797 3.956 1.00 1.28 H new ATOM 952 N ARG A 63 3.517 12.745 1.300 1.00 1.01 N ATOM 953 CA ARG A 63 2.511 12.637 0.249 1.00 1.03 C ATOM 954 C ARG A 63 2.988 11.667 -0.826 1.00 0.92 C ATOM 955 O ARG A 63 4.134 11.745 -1.268 1.00 0.87 O ATOM 956 CB ARG A 63 2.236 14.007 -0.376 1.00 1.15 C ATOM 957 CG ARG A 63 1.897 15.068 0.651 1.00 1.51 C ATOM 958 CD ARG A 63 0.546 14.827 1.303 1.00 1.78 C ATOM 959 NE ARG A 63 0.487 15.442 2.625 1.00 2.51 N ATOM 960 CZ ARG A 63 -0.634 15.760 3.268 1.00 3.28 C ATOM 961 NH1 ARG A 63 -1.815 15.661 2.670 1.00 3.53 N ATOM 962 NH2 ARG A 63 -0.562 16.218 4.511 1.00 4.21 N ATOM 0 H ARG A 63 4.449 12.989 0.964 1.00 1.01 H new ATOM 0 HA ARG A 63 1.587 12.263 0.690 1.00 1.03 H new ATOM 0 HB2 ARG A 63 3.111 14.324 -0.943 1.00 1.15 H new ATOM 0 HB3 ARG A 63 1.412 13.918 -1.085 1.00 1.15 H new ATOM 0 HG2 ARG A 63 2.670 15.088 1.419 1.00 1.51 H new ATOM 0 HG3 ARG A 63 1.898 16.047 0.173 1.00 1.51 H new ATOM 0 HD2 ARG A 63 -0.244 15.235 0.673 1.00 1.78 H new ATOM 0 HD3 ARG A 63 0.365 13.755 1.388 1.00 1.78 H new ATOM 0 HE ARG A 63 1.372 15.643 3.091 1.00 2.51 H new ATOM 0 HH11 ARG A 63 -1.872 15.337 1.704 1.00 3.53 H new ATOM 0 HH12 ARG A 63 -2.665 15.908 3.176 1.00 3.53 H new ATOM 0 HH21 ARG A 63 0.346 16.323 4.964 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -1.414 16.465 5.014 1.00 4.21 H new ATOM 976 N TYR A 64 2.128 10.751 -1.244 1.00 0.96 N ATOM 977 CA TYR A 64 2.519 9.813 -2.284 1.00 0.91 C ATOM 978 C TYR A 64 1.964 10.237 -3.638 1.00 0.89 C ATOM 979 O TYR A 64 0.752 10.358 -3.829 1.00 0.94 O ATOM 980 CB TYR A 64 2.139 8.360 -1.938 1.00 0.92 C ATOM 981 CG TYR A 64 0.658 8.050 -1.857 1.00 0.97 C ATOM 982 CD1 TYR A 64 -0.064 8.293 -0.696 1.00 1.02 C ATOM 983 CD2 TYR A 64 -0.008 7.473 -2.932 1.00 1.06 C ATOM 984 CE1 TYR A 64 -1.405 7.966 -0.607 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.349 7.151 -2.854 1.00 1.18 C ATOM 986 CZ TYR A 64 -2.043 7.399 -1.689 1.00 1.20 C ATOM 987 OH TYR A 64 -3.372 7.062 -1.604 1.00 1.37 O ATOM 0 H TYR A 64 1.178 10.638 -0.890 1.00 0.96 H new ATOM 0 HA TYR A 64 3.607 9.837 -2.347 1.00 0.91 H new ATOM 0 HB2 TYR A 64 2.585 7.704 -2.685 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.593 8.107 -0.980 1.00 0.92 H new ATOM 0 HD1 TYR A 64 0.430 8.745 0.152 1.00 1.02 H new ATOM 0 HD2 TYR A 64 0.533 7.273 -3.845 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -1.950 8.154 0.306 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -1.851 6.707 -3.701 1.00 1.18 H new ATOM 0 HH TYR A 64 -3.666 6.675 -2.455 1.00 1.37 H new ATOM 997 N GLN A 65 2.874 10.497 -4.560 1.00 0.90 N ATOM 998 CA GLN A 65 2.527 10.906 -5.910 1.00 0.93 C ATOM 999 C GLN A 65 2.683 9.725 -6.859 1.00 0.87 C ATOM 1000 O GLN A 65 3.794 9.254 -7.091 1.00 0.86 O ATOM 1001 CB GLN A 65 3.444 12.054 -6.343 1.00 1.03 C ATOM 1002 CG GLN A 65 3.266 12.482 -7.789 1.00 1.59 C ATOM 1003 CD GLN A 65 4.272 13.538 -8.207 1.00 2.07 C ATOM 1004 OE1 GLN A 65 5.389 13.596 -7.686 1.00 2.64 O ATOM 1005 NE2 GLN A 65 3.890 14.375 -9.156 1.00 2.63 N ATOM 0 H GLN A 65 3.878 10.430 -4.393 1.00 0.90 H new ATOM 0 HA GLN A 65 1.491 11.245 -5.936 1.00 0.93 H new ATOM 0 HB2 GLN A 65 3.262 12.913 -5.697 1.00 1.03 H new ATOM 0 HB3 GLN A 65 4.481 11.754 -6.190 1.00 1.03 H new ATOM 0 HG2 GLN A 65 3.366 11.612 -8.438 1.00 1.59 H new ATOM 0 HG3 GLN A 65 2.257 12.870 -7.929 1.00 1.59 H new ATOM 0 HE21 GLN A 65 2.958 14.295 -9.562 1.00 2.63 H new ATOM 0 HE22 GLN A 65 4.527 15.101 -9.482 1.00 2.63 H new ATOM 1014 N ILE A 66 1.575 9.238 -7.394 1.00 0.88 N ATOM 1015 CA ILE A 66 1.614 8.090 -8.283 1.00 0.86 C ATOM 1016 C ILE A 66 1.422 8.533 -9.732 1.00 0.98 C ATOM 1017 O ILE A 66 0.369 9.045 -10.113 1.00 1.11 O ATOM 1018 CB ILE A 66 0.567 7.015 -7.890 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.624 5.832 -8.864 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -0.839 7.603 -7.825 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.289 4.684 -8.486 1.00 1.13 C ATOM 0 H ILE A 66 0.643 9.618 -7.229 1.00 0.88 H new ATOM 0 HA ILE A 66 2.597 7.630 -8.184 1.00 0.86 H new ATOM 0 HB ILE A 66 0.814 6.653 -6.892 1.00 0.92 H new ATOM 0 HG12 ILE A 66 0.358 6.182 -9.862 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.649 5.466 -8.917 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.547 6.823 -7.547 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -0.866 8.399 -7.081 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.110 8.008 -8.800 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.193 3.886 -9.222 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.010 4.306 -7.502 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.321 5.033 -8.462 1.00 1.13 H new ATOM 1033 N ASP A 67 2.461 8.351 -10.525 1.00 1.04 N ATOM 1034 CA ASP A 67 2.457 8.779 -11.914 1.00 1.25 C ATOM 1035 C ASP A 67 2.874 7.626 -12.813 1.00 1.20 C ATOM 1036 O ASP A 67 4.017 7.172 -12.764 1.00 1.13 O ATOM 1037 CB ASP A 67 3.398 9.969 -12.099 1.00 1.45 C ATOM 1038 CG ASP A 67 3.402 10.500 -13.515 1.00 1.82 C ATOM 1039 OD1 ASP A 67 2.449 11.216 -13.888 1.00 2.29 O ATOM 1040 OD2 ASP A 67 4.349 10.195 -14.268 1.00 2.28 O ATOM 0 H ASP A 67 3.329 7.905 -10.228 1.00 1.04 H new ATOM 0 HA ASP A 67 1.449 9.089 -12.189 1.00 1.25 H new ATOM 0 HB2 ASP A 67 3.105 10.767 -11.418 1.00 1.45 H new ATOM 0 HB3 ASP A 67 4.410 9.672 -11.825 1.00 1.45 H new ATOM 1045 N GLY A 68 1.939 7.146 -13.619 1.00 1.28 N ATOM 1046 CA GLY A 68 2.200 5.997 -14.465 1.00 1.30 C ATOM 1047 C GLY A 68 2.393 4.731 -13.652 1.00 1.14 C ATOM 1048 O GLY A 68 1.455 4.241 -13.020 1.00 1.18 O ATOM 0 H GLY A 68 0.999 7.533 -13.703 1.00 1.28 H new ATOM 0 HA2 GLY A 68 1.370 5.861 -15.159 1.00 1.30 H new ATOM 0 HA3 GLY A 68 3.090 6.183 -15.066 1.00 1.30 H new ATOM 1052 N ASN A 69 3.610 4.209 -13.655 1.00 1.03 N ATOM 1053 CA ASN A 69 3.947 3.054 -12.828 1.00 0.94 C ATOM 1054 C ASN A 69 4.982 3.479 -11.798 1.00 0.75 C ATOM 1055 O ASN A 69 5.639 2.653 -11.165 1.00 0.69 O ATOM 1056 CB ASN A 69 4.492 1.898 -13.677 1.00 1.06 C ATOM 1057 CG ASN A 69 4.372 0.550 -12.980 1.00 1.67 C ATOM 1058 OD1 ASN A 69 3.417 0.300 -12.244 1.00 2.35 O ATOM 1059 ND2 ASN A 69 5.347 -0.323 -13.193 1.00 2.29 N ATOM 0 H ASN A 69 4.382 4.564 -14.219 1.00 1.03 H new ATOM 0 HA ASN A 69 3.044 2.698 -12.332 1.00 0.94 H new ATOM 0 HB2 ASN A 69 3.953 1.862 -14.624 1.00 1.06 H new ATOM 0 HB3 ASN A 69 5.539 2.088 -13.913 1.00 1.06 H new ATOM 0 HD21 ASN A 69 5.321 -1.237 -12.740 1.00 2.29 H new ATOM 0 HD22 ASN A 69 6.123 -0.081 -13.809 1.00 2.29 H new ATOM 1066 N THR A 70 5.115 4.787 -11.638 1.00 0.74 N ATOM 1067 CA THR A 70 6.093 5.356 -10.732 1.00 0.68 C ATOM 1068 C THR A 70 5.399 5.990 -9.537 1.00 0.63 C ATOM 1069 O THR A 70 4.412 6.708 -9.684 1.00 0.71 O ATOM 1070 CB THR A 70 6.954 6.417 -11.444 1.00 0.85 C ATOM 1071 OG1 THR A 70 7.531 5.857 -12.630 1.00 0.97 O ATOM 1072 CG2 THR A 70 8.069 6.927 -10.536 1.00 0.89 C ATOM 0 H THR A 70 4.550 5.478 -12.131 1.00 0.74 H new ATOM 0 HA THR A 70 6.741 4.549 -10.391 1.00 0.68 H new ATOM 0 HB THR A 70 6.307 7.256 -11.702 1.00 0.85 H new ATOM 0 HG1 THR A 70 8.500 5.767 -12.511 1.00 0.97 H new ATOM 0 HG21 THR A 70 8.658 7.674 -11.068 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.634 7.376 -9.643 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.712 6.096 -10.248 1.00 0.89 H new ATOM 1080 N VAL A 71 5.919 5.712 -8.356 1.00 0.56 N ATOM 1081 CA VAL A 71 5.363 6.240 -7.129 1.00 0.58 C ATOM 1082 C VAL A 71 6.418 7.080 -6.423 1.00 0.57 C ATOM 1083 O VAL A 71 7.472 6.575 -6.038 1.00 0.57 O ATOM 1084 CB VAL A 71 4.886 5.110 -6.191 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.100 5.677 -5.017 1.00 0.68 C ATOM 1086 CG2 VAL A 71 4.058 4.084 -6.959 1.00 0.65 C ATOM 0 H VAL A 71 6.736 5.116 -8.223 1.00 0.56 H new ATOM 0 HA VAL A 71 4.498 6.854 -7.380 1.00 0.58 H new ATOM 0 HB VAL A 71 5.765 4.604 -5.793 1.00 0.60 H new ATOM 0 HG11 VAL A 71 3.774 4.863 -4.370 1.00 0.68 H new ATOM 0 HG12 VAL A 71 4.734 6.359 -4.450 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.228 6.216 -5.389 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.732 3.297 -6.279 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.186 4.572 -7.394 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.664 3.649 -7.754 1.00 0.65 H new ATOM 1096 N THR A 72 6.138 8.357 -6.267 1.00 0.63 N ATOM 1097 CA THR A 72 7.091 9.281 -5.690 1.00 0.66 C ATOM 1098 C THR A 72 6.668 9.665 -4.278 1.00 0.70 C ATOM 1099 O THR A 72 5.576 10.197 -4.069 1.00 0.78 O ATOM 1100 CB THR A 72 7.216 10.554 -6.551 1.00 0.75 C ATOM 1101 OG1 THR A 72 7.519 10.194 -7.908 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.306 11.469 -6.015 1.00 0.80 C ATOM 0 H THR A 72 5.250 8.781 -6.535 1.00 0.63 H new ATOM 0 HA THR A 72 8.060 8.783 -5.656 1.00 0.66 H new ATOM 0 HB THR A 72 6.266 11.087 -6.513 1.00 0.75 H new ATOM 0 HG1 THR A 72 7.596 11.005 -8.452 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.374 12.359 -6.640 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.066 11.761 -4.993 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.261 10.944 -6.028 1.00 0.80 H new ATOM 1110 N VAL A 73 7.523 9.369 -3.317 1.00 0.70 N ATOM 1111 CA VAL A 73 7.270 9.729 -1.935 1.00 0.76 C ATOM 1112 C VAL A 73 7.826 11.122 -1.674 1.00 0.90 C ATOM 1113 O VAL A 73 9.030 11.297 -1.481 1.00 1.01 O ATOM 1114 CB VAL A 73 7.909 8.714 -0.961 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.517 9.023 0.473 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.511 7.293 -1.330 1.00 0.75 C ATOM 0 H VAL A 73 8.404 8.877 -3.470 1.00 0.70 H new ATOM 0 HA VAL A 73 6.193 9.718 -1.764 1.00 0.76 H new ATOM 0 HB VAL A 73 8.992 8.800 -1.044 1.00 0.79 H new ATOM 0 HG11 VAL A 73 7.978 8.296 1.141 1.00 0.89 H new ATOM 0 HG12 VAL A 73 7.858 10.024 0.736 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.433 8.971 0.573 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.971 6.593 -0.632 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.427 7.194 -1.281 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.850 7.071 -2.342 1.00 0.75 H new ATOM 1126 N THR A 74 6.951 12.114 -1.683 1.00 0.97 N ATOM 1127 CA THR A 74 7.376 13.499 -1.602 1.00 1.15 C ATOM 1128 C THR A 74 6.873 14.138 -0.308 1.00 1.11 C ATOM 1129 O THR A 74 5.957 13.623 0.340 1.00 0.99 O ATOM 1130 CB THR A 74 6.872 14.299 -2.829 1.00 1.38 C ATOM 1131 OG1 THR A 74 7.405 15.633 -2.823 1.00 1.87 O ATOM 1132 CG2 THR A 74 5.350 14.356 -2.856 1.00 1.47 C ATOM 0 H THR A 74 5.941 11.984 -1.746 1.00 0.97 H new ATOM 0 HA THR A 74 8.466 13.522 -1.601 1.00 1.15 H new ATOM 0 HB THR A 74 7.220 13.782 -3.724 1.00 1.38 H new ATOM 0 HG1 THR A 74 7.076 16.120 -3.607 1.00 1.87 H new ATOM 0 HG21 THR A 74 5.023 14.923 -3.727 1.00 1.47 H new ATOM 0 HG22 THR A 74 4.949 13.344 -2.910 1.00 1.47 H new ATOM 0 HG23 THR A 74 4.988 14.842 -1.950 1.00 1.47 H new ATOM 1140 N ALA A 75 7.491 15.246 0.071 1.00 1.29 N ATOM 1141 CA ALA A 75 7.103 15.976 1.263 1.00 1.36 C ATOM 1142 C ALA A 75 5.816 16.751 1.014 1.00 1.48 C ATOM 1143 O ALA A 75 5.433 16.983 -0.134 1.00 1.72 O ATOM 1144 CB ALA A 75 8.220 16.917 1.690 1.00 1.56 C ATOM 0 H ALA A 75 8.272 15.661 -0.438 1.00 1.29 H new ATOM 0 HA ALA A 75 6.924 15.263 2.068 1.00 1.36 H new ATOM 0 HB1 ALA A 75 7.917 17.459 2.586 1.00 1.56 H new ATOM 0 HB2 ALA A 75 9.120 16.340 1.902 1.00 1.56 H new ATOM 0 HB3 ALA A 75 8.424 17.627 0.888 1.00 1.56 H new ATOM 1150 N SER A 76 5.154 17.160 2.088 1.00 1.52 N ATOM 1151 CA SER A 76 3.879 17.855 1.989 1.00 1.75 C ATOM 1152 C SER A 76 4.061 19.318 1.585 1.00 2.24 C ATOM 1153 O SER A 76 3.565 20.224 2.255 1.00 2.81 O ATOM 1154 CB SER A 76 3.130 17.755 3.319 1.00 2.10 C ATOM 1155 OG SER A 76 2.851 16.402 3.644 1.00 2.68 O ATOM 0 H SER A 76 5.482 17.021 3.044 1.00 1.52 H new ATOM 0 HA SER A 76 3.292 17.374 1.207 1.00 1.75 H new ATOM 0 HB2 SER A 76 3.726 18.208 4.111 1.00 2.10 H new ATOM 0 HB3 SER A 76 2.199 18.318 3.259 1.00 2.10 H new ATOM 0 HG SER A 76 3.468 16.099 4.342 1.00 2.68 H new ATOM 1161 N ALA A 77 4.773 19.540 0.487 1.00 2.71 N ATOM 1162 CA ALA A 77 4.919 20.873 -0.074 1.00 3.56 C ATOM 1163 C ALA A 77 3.602 21.309 -0.694 1.00 4.02 C ATOM 1164 O ALA A 77 3.256 22.488 -0.695 1.00 4.62 O ATOM 1165 CB ALA A 77 6.034 20.898 -1.105 1.00 4.29 C ATOM 0 H ALA A 77 5.259 18.809 -0.033 1.00 2.71 H new ATOM 0 HA ALA A 77 5.184 21.570 0.722 1.00 3.56 H new ATOM 0 HB1 ALA A 77 6.129 21.904 -1.514 1.00 4.29 H new ATOM 0 HB2 ALA A 77 6.973 20.608 -0.633 1.00 4.29 H new ATOM 0 HB3 ALA A 77 5.802 20.200 -1.909 1.00 4.29 H new ATOM 1171 N ALA A 78 2.872 20.335 -1.212 1.00 4.20 N ATOM 1172 CA ALA A 78 1.534 20.560 -1.726 1.00 5.03 C ATOM 1173 C ALA A 78 0.512 19.992 -0.749 1.00 5.55 C ATOM 1174 O ALA A 78 -0.227 19.062 -1.071 1.00 5.99 O ATOM 1175 CB ALA A 78 1.380 19.924 -3.102 1.00 5.72 C ATOM 0 H ALA A 78 3.191 19.369 -1.287 1.00 4.20 H new ATOM 0 HA ALA A 78 1.364 21.631 -1.831 1.00 5.03 H new ATOM 0 HB1 ALA A 78 0.371 20.102 -3.474 1.00 5.72 H new ATOM 0 HB2 ALA A 78 2.103 20.364 -3.789 1.00 5.72 H new ATOM 0 HB3 ALA A 78 1.556 18.851 -3.029 1.00 5.72 H new ATOM 1181 N ALA A 79 0.489 20.546 0.457 1.00 5.86 N ATOM 1182 CA ALA A 79 -0.393 20.062 1.510 1.00 6.63 C ATOM 1183 C ALA A 79 -1.801 20.622 1.339 1.00 7.15 C ATOM 1184 O ALA A 79 -2.326 21.316 2.212 1.00 7.46 O ATOM 1185 CB ALA A 79 0.167 20.426 2.880 1.00 6.90 C ATOM 0 H ALA A 79 1.075 21.335 0.730 1.00 5.86 H new ATOM 0 HA ALA A 79 -0.451 18.976 1.436 1.00 6.63 H new ATOM 0 HB1 ALA A 79 -0.503 20.058 3.657 1.00 6.90 H new ATOM 0 HB2 ALA A 79 1.150 19.972 3.004 1.00 6.90 H new ATOM 0 HB3 ALA A 79 0.255 21.509 2.961 1.00 6.90 H new ATOM 1191 N LYS A 80 -2.401 20.318 0.199 1.00 7.55 N ATOM 1192 CA LYS A 80 -3.745 20.768 -0.112 1.00 8.34 C ATOM 1193 C LYS A 80 -4.456 19.690 -0.921 1.00 8.95 C ATOM 1194 O LYS A 80 -4.664 19.830 -2.124 1.00 9.25 O ATOM 1195 CB LYS A 80 -3.697 22.088 -0.896 1.00 8.77 C ATOM 1196 CG LYS A 80 -4.999 22.881 -0.867 1.00 9.05 C ATOM 1197 CD LYS A 80 -5.341 23.336 0.548 1.00 9.51 C ATOM 1198 CE LYS A 80 -6.474 24.356 0.563 1.00 10.08 C ATOM 1199 NZ LYS A 80 -7.723 23.824 -0.043 1.00 10.73 N ATOM 0 H LYS A 80 -1.970 19.754 -0.534 1.00 7.55 H new ATOM 0 HA LYS A 80 -4.294 20.945 0.813 1.00 8.34 H new ATOM 0 HB2 LYS A 80 -2.898 22.709 -0.491 1.00 8.77 H new ATOM 0 HB3 LYS A 80 -3.439 21.872 -1.933 1.00 8.77 H new ATOM 0 HG2 LYS A 80 -4.912 23.750 -1.519 1.00 9.05 H new ATOM 0 HG3 LYS A 80 -5.810 22.267 -1.260 1.00 9.05 H new ATOM 0 HD2 LYS A 80 -5.624 22.471 1.148 1.00 9.51 H new ATOM 0 HD3 LYS A 80 -4.456 23.771 1.013 1.00 9.51 H new ATOM 0 HE2 LYS A 80 -6.673 24.659 1.591 1.00 10.08 H new ATOM 0 HE3 LYS A 80 -6.162 25.249 0.022 1.00 10.08 H new ATOM 0 HZ1 LYS A 80 -8.519 24.448 0.198 1.00 10.73 H new ATOM 0 HZ2 LYS A 80 -7.617 23.782 -1.077 1.00 10.73 H new ATOM 0 HZ3 LYS A 80 -7.908 22.869 0.325 1.00 10.73 H new ATOM 1213 N ASP A 81 -4.809 18.601 -0.249 1.00 9.36 N ATOM 1214 CA ASP A 81 -5.455 17.465 -0.903 1.00 10.16 C ATOM 1215 C ASP A 81 -6.963 17.652 -0.937 1.00 10.60 C ATOM 1216 O ASP A 81 -7.709 16.742 -1.293 1.00 11.03 O ATOM 1217 CB ASP A 81 -5.111 16.160 -0.181 1.00 10.60 C ATOM 1218 CG ASP A 81 -3.734 15.636 -0.535 1.00 11.07 C ATOM 1219 OD1 ASP A 81 -3.620 14.881 -1.526 1.00 11.19 O ATOM 1220 OD2 ASP A 81 -2.759 15.971 0.170 1.00 11.50 O ATOM 0 H ASP A 81 -4.659 18.479 0.752 1.00 9.36 H new ATOM 0 HA ASP A 81 -5.084 17.410 -1.926 1.00 10.16 H new ATOM 0 HB2 ASP A 81 -5.167 16.320 0.896 1.00 10.60 H new ATOM 0 HB3 ASP A 81 -5.857 15.405 -0.430 1.00 10.60 H new ATOM 1225 N GLY A 82 -7.403 18.837 -0.556 1.00 10.72 N ATOM 1226 CA GLY A 82 -8.805 19.162 -0.588 1.00 11.37 C ATOM 1227 C GLY A 82 -8.999 20.651 -0.470 1.00 11.77 C ATOM 1228 O GLY A 82 -8.155 21.296 0.184 1.00 12.00 O ATOM 1229 OXT GLY A 82 -9.965 21.184 -1.047 1.00 12.03 O ATOM 0 H GLY A 82 -6.801 19.589 -0.220 1.00 10.72 H new ATOM 0 HA2 GLY A 82 -9.247 18.803 -1.517 1.00 11.37 H new ATOM 0 HA3 GLY A 82 -9.321 18.655 0.227 1.00 11.37 H new TER 1233 GLY A 82